Deciphering the interactions between altertoxins and glutenin based on molecular dynamic simulation: inspiration from detection.

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.

Preparation and Formation Mechanism Study of Antibiofilm Coating Based on Phase Transition of Glutenin.

The surface of food processing equipment is easily affected by biofilm-forming bacteria, leading to cross-contamination and food safety hazards. The critical issue is how to endow the surface of contact materials with antibacterial and antibiofilm abilities. A sustainable, stable, and antibiofilm coating was prepared by phase transition of glutenin. The disulfide bonds in glutenin were reduced by tris(2-carboxyethyl)phosphine, triggering the phase transition of glutenin. Hydrophobic interactions and intermolecular disulfide bonds may be the primary forces. Furthermore, the phase-transited products formed a nanoscale coating on the surface of stainless steel and glass under their own adhesion force and gravity. The coating exhibited good stability in harsh environments. More importantly, after 3 h of direct contact, the colony of Escherichia coli and Staphylococcus aureus decreased by one logarithm. The amount of biofilm was observed to be significantly decreased through optical microscopy and scanning electron microscopy. This article provides a foundational module for developing novel coatings.

Diversified Techniques for Restructuring Meat Protein-Derived Products and Analogues.

Accompanied by the rapid growth of the global population and increasing public awareness of protein-rich foods, the market demand for protein-derived products is booming. Utilizing available technologies to make full use of meat by-products, such as scraps, trimmings, etc., to produce restructured meat products and explore emerging proteins to produce meat analogues can be conducive to alleviating the pressure on supply ends of the market. The present review summarizes diversified techniques (such as high-pressure processing, ultrasonic treatment, edible polysaccharides modification, enzymatic restructuring, etc.) that have been involved in restructuring meat protein-derived products as well as preparing meat analogues identified so far and classifying them into three main categories (physical, chemical and enzymatic). The target systems, processing conditions, effects, advantages, etc., of the included techniques, are comprehensively and systemically summarized and discussed, and their existing problems or developing trends are also briefly prospected. It can be concluded that a better quality of restructured products can be obtained by the combination of different restructuring technologies. This review provides a valuable reference both for the research and industrial production of restructured meat protein-derived products and analogues.

Study on the Correlations between Quality Indicators of Dry-Aged Beef and Microbial Succession during Fermentation.

Dry-aged beef has been long favored by people due to its unique flavor and taste. However, the inner relationship between its overall quality formation and microbial changes during dry aging has not yet received much attention and research. To deeply reveal the forming mechanism of the unique flavor and taste of dry-aged beef, correlations between its three main quality indicators, i.e., texture, free amino acids (FAAs), volatile flavor compounds (VFCs), and microbial succession were analyzed in this study. The results showed that Staphylococcus spp. and Macrococcus spp. were key strains that influenced the total quality of dry-aged beef and strongly correlated with chewiness, hardness, and sweet FAAs (Ala), providing beef with unique palatability and taste. Additionally, among VFCs, Staphylococcus spp. and Macrococcus spp. showed a strong correlation with octanal and heptanal, and meanwhile, those highly correlated with nonanal, pentanol, and oct-1-en-3-ol were Debaryomyces spp., Psychrobacter spp., and Brochothrix spp., respectively, providing beef with a unique flavor. Staphylococcus spp. was proposed to be the dominant genus for dry-aged beef. This study provides valuable reference for the understanding of the role of microorganisms involved in dry aging.

The adsorption-desorption behavior of chlorothalonil in the cuticles of apple and red jujube.

The distribution fate of chlorothalonil (CHT) in the environment (soil and water) and fruits is controlled by the capacity of cuticles to adsorb and desorb CHT, which directly affects the safety of both the environment and fruits. Batch experiments were conducted to reveal the adsorption-desorption behaviors of CHT in the cuticles of apple and red jujube. The adsorption kinetics showed that both physisorption and chemisorption occurred during the adsorption process. Furthermore, the isothermal adsorption of CHT in the fruit cuticles followed the Freundlich model. The thermodynamic parameters (ΔG ≤ -26.16 kJ/mol, ΔH ≥ 31.05 kJ/mol, ΔS ≥ 0.20 kJ/(mol K) showed that the whole CHT adsorption process was spontaneous, and the hydrophobic interaction was predominant. The CHT adsorption capacity of the apple cuticle was higher than that of the red jujube cuticle, potentially due to the significantly higher alkanes content of apples than that of red jujubes. An appropriate ionic strength (0.01 moL/L) could induce a higher adsorption capacity. In addition, the desorption kinetics were shown to conform to a Quasi-first-order model, meaning that not all the adsorbed CHT could be easily desorbed. The desorption ratios in apple and red jujube cuticles were 41.38% and 35.64%, respectively. The results of Fourier-transformed infrared spectroscopy and X-ray photoelectron spectroscopy further confirmed that CHT could be adsorbed and retained in the fruit cuticles. Investigating the adsorption-desorption behavior of CHT in the apple and red jujube cuticles allowed to determine the ratio of its final distribution in the fruits and environment, providing a theoretical basis to evaluate the risk of residue pesticide.

Raman silent region - based method for detection of pesticides with cyano group.

Based on the fact that not all chemical substances possess good Raman signals, this article focuses on the Raman silent region signals of pesticides with cyano group. Under the optimized conditions of methanol-water (1:1, v/v) as the solvent, irradiation at 302 nm light source for 20 min, and the use of 0.5 mol/L KI as the aggregating agent, Surface-enhanced Raman spectroscopy (SERS) method for azoxystrobin detection was developed by the Raman silent region signal of 2230 cm-1, and verified by detecting the spiked grapes with different concentrations of azoxystrobin. Other four pesticides with cyano group also could be identified at the peak of 2180 cm-1, 2205 cm-1, 2125 cm-1, and 2130 cm-1 for acetamiprid, phoxim, thiacloprid and cymoxanil, respectively. When azoxystrobin or acetamiprid was mixed respectively with chlorpyrifos without cyano group, their SERS signals in the Raman silent region of chlorpyrifos were not interfered, while mixed with cymoxanil in different ratios (1:4, 1:1 and 4:1), respectively, each two pesticides with cyano group could be distinguished by the changes in the Raman silent region. In further, four pesticides with or without cyano group were mixed together in 1:1:1:1 (acetamiprid, cymoxanil, azoxystrobin chlorpyrifos), and each pesticide still could be identified even at 0.5 mg/L. The results showed that the SERS method combined with UV irradiation may provide a new way to monitor the pesticides with C≡N performance in the Raman silent region without interference from the food matrix.

Effect of tannic acid binding on the thermal degradation behavior and product toxicity of boscalid.

The effect of tannic acid (TA) binding on the thermal degradation of boscalid was studied in this work. The results revealed that TA binding has a significant impact on boscalid degradation. The degradation rate constant of bound boscalid was reduced, and its corresponding half-life was significantly prolonged compared to the free state. Four identical degradation products were detected in both states through UHPLC-Q-TOF-MS, indicating that degradation products were not affected by TA binding. Based on DFT and MS analysis, the degradation pathways of boscalid included hydroxyl substitution of chlorine atoms and cleavage of CN and CC bonds. The toxicity of B2 and B3 exceeded that of boscalid. In summary, the binding of TA and boscalid significantly affected the thermal degradation rate of boscalid while preserving the types of degradation products. This study contributed to a fundamental understanding of the degradation process of bound pesticide residues in complex food matrices.

Degradation of carbofuran and acetamiprid in wolfberry by dielectric barrier discharge plasma: Kinetics, pathways, toxicity and molecular dynamics simulation.

Carbofuran and acetamiprid pose the highest residual risk among pesticides found in wolfberries. This study aimed to degrade these pesticides in wolfberries using a multi-array dielectric barrier discharge plasma (DBD), evaluate the impact on safety and quality and explore their degradation mechanism. The results showed that DBD treatment achieved 90.6% and 80.9% degradation rates for carbofuran and acetamiprid, respectively, following a first-order kinetic reaction. The 120 s treatment successfully reduced pesticide contamination to levels below maximum residue limits. Treatment up to 180 s did not adversely affect the quality of wolfberries. QTOF/MS identification and degradation pathway analysis revealed that DBD broke down the furan ring and carbamate group of carbofuran, while replacing the chlorine atom and oxidizing the side chain of acetamiprid, leading to degradation. The toxicological evaluation showed that the degradation products were less toxic than undegraded pesticides. Molecular dynamics simulations revealed the reactive oxygen species (ROS) facilitated the degradation of pesticides through dehydrogenation and radical addition reactions. ROS type and dosage significantly affected the breakage of chemical bonds associated with toxicity (C4-O5 and C2-Cl1). These findings deepen insights into the plasma chemical degradation of pesticides.

Echinacea purpurea polysaccharide intervene in hepatocellular carcinoma via modulation of gut microbiota to inhibit TLR4/NF-κB pathway.

Echinacea purpurea polysaccharide (EPP) exhibit various pharmacological activities, including immunomodulatory, anti-inflammatory, and anti-tumor effects. In this study, we investigated the potential mechanism of EPP intervention in hepatocellular carcinoma (HCC). The results demonstrated that EPP effectively mitigated liver injury caused by HCC, inhibited the proliferation of HCC, and induced apoptosis. Following EPP intervention, there was a significant increase in propionic acid and butyric acid-producing gut microbiota such as Coprococcus, Clostridium and Roseburia, leading to enhanced expression of intestinal tight junction proteins and the repair of the intestinal barrier. This controls lipopolysaccharide (LPS) leakage, which in turn inhibits the TLR4/NF-κB pathway and reduces the expression of inflammatory factors such as IL-6, as well as migration factors like MMP-2. Metabolomics revealed the downregulation of pyrimidine metabolism and nucleotide metabolism, along with the upregulation of butyrate metabolism in tumor cells. This study demonstrated that EPP effectively regulated LPS leakage by modulating gut microbes, and this modulation influenced the TLR4/NF-κB pathway, ultimately disrupting tumor cell survival induced by HCC in mice.

Aqueous Extract of Brassica rapa L.'s Impact on Modulating Exercise-Induced Fatigue via Gut-Muscle Axis.

Exercise-induced fatigue is a common physiological response to prolonged physical activity, often associated with changes in gut microbiota and metabolic responses. This study investigates the potential role of Brassica rapa L. in modulating these responses. Using an animal model subjected to chronic exercise-induced stress, we explored the effects of Brassica rapa L. on fatigue-related biomarkers, energy metabolism genes, inflammatory responses, intestinal integrity, and gut microbiota composition. Our findings revealed that Brassica rapa L. exhibits significant antioxidant activity and effectively modulates physiological responses to fatigue. It influences gene expression related to the tricarboxylic acid (TCA) cycle in muscle tissue through the AMPK/PGC-1α/TFAM signaling pathway. Furthermore, Brassica rapa L. has been found to alleviate inflammation by inhibiting lipopolysaccharide (LPS) infection and suppressing the activation of the NF-κB pathway. It also maintains intestinal integrity and controls Gram-negative bacterial growth. A correlation analysis identified several pathogenic bacteria linked with inflammation and energy metabolism, as well as beneficial probiotic bacteria associated with improved energy metabolism and reduced inflammation. These findings underscore Brassica rapa L.'s potential for managing prolonged exercise-induced fatigue, paving the way for future therapeutic applications. The results highlight its impact on gut microbiota modulation and its role in nutrition science and sports medicine.

Rapid magnetization and removal of microplastics from environment and food based on magnetic metal-organic framework Fe3O4@SiO2@MIL-53(Al).

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.

Recent advance in probiotics for the elimination of pesticide residues in food and feed: mechanisms, product toxicity, and reinforcement strategies.

The extensive utilization of pesticides in agriculture has resulted in the presence of pesticide residues in food and feed, which poses a significant threat to human health. Various physical and chemical methods have been proposed to remove pesticides, but most of these methods are either costly or susceptible to secondary contamination. Consequently, the utilization of microorganisms, such as probiotics, for eliminating pesticides, has emerged as a promising alternative. Probiotics, including lactic acid bacteria, yeasts, and fungi, have demonstrated remarkable efficiency and convenience in eliminating pesticide residues from food or feed. To promote the application of probiotic decontamination, this review examines the current research status on the utilization of probiotics for pesticide reduction. The mechanisms involved in microbial decontamination are discussed, along with the toxicity and potential health risks of degradation products. Furthermore, the review explores strategies to enhance probiotic detoxification and outlines prospects for future development.

Relationship Between Prognostic Nutritional Index and New-Onset Atrial Fibrillation in Patients with Acute ST-Elevation Myocardial Infarction Following Percutaneous Coronary Intervention.

Multiple reports relate new-onset atrial fibrillation (NOAF) to poor clinical outcomes in patients with ST-elevation myocardial infarction (STEMI) who received percutaneous coronary intervention (PCI). The prognostic nutritional index (PNI) is a reliable indicator of immunonutritional-inflammatory status, and it is linked to clinical outcomes in cardiovascular disease patients. This research aims to explore the relationship between NOAF and PNI.Overall, 600 STEMI patients treated with PCI were recruited for this retrospective analysis. The patients were categorized into the NOAF group or sinus rhythm (SR) group. Logistic regression and receiver operating characteristic (ROC) curve analyses were conducted to assess PNI estimation. Lastly, the Kaplan-Meier curve was used to compare all-cause mortality between both groups.The combined NOAF incidence in PCI-treated STEMI patients was 7.7%. PNI was independently correlated with NOAF using multivariate regression analyses (odds ratio [OR], 0.824; 95% confidence interval [CI], 0.750-0.906; P < 0.001). In ROC curve analyses, the best PNI threshold value for predicting NOAF was 40.1, with sensitivity, and specificity of 76.09% and 71.30%, respectively area under the curve, 0.787; 95% CI, 0.752-0.819; P < 0.001). After a median of 41-month follow-up, the Kaplan-Meier curve revealed that the NOAF patients displayed an elevated all-cause death incidence compared with SR patients, with a log-rank of P = 0.005.This study demonstrated that PNI is an independent predictor of NOAF in STEMI patients during hospitalization after PCI, which is strongly correlated with a poor outcome upon discharge.

Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb.

Mancozeb, an antifungal typically used for the growth of fruits, has the characteristic of non-internal absorption, and has a risk of binding to the waxy components of fruits. This work investigated the interaction of pesticide molecules with the waxy layer on the grape surface and their effects on pesticide residues in grapes. The study observed significant changes in the compositions of the waxy layer on the grape surface after soaking in a mancozeb standard solution. The six substances-oleanolic acid, ursolic acid, lupeol, octacosanol, hexacosanal, and γ-sitosterol-with discernible content differences were chosen for molecular docking. Docking results were further visualized by an independent gradient model based on Hirshfeld partition (IGMH). Hydrogen bonds and van der Waals forces were found between mancozeb and the six waxy components. Moreover, the negative matrix effects caused by the presence or absence of wax for the determination of mancozeb were different through the QuEChERS-HPLC-MS method. Compared with the residue of mancozeb in grapes (5.97 mg/kg), the deposition of mancozeb in grapes after dewaxing was significantly lower (1.12 mg/kg), which further supports that mancozeb may interact with the wax layer compositions. This work not only provides insights into the study of the interaction between pesticides and small molecules but also provides theoretical guidelines for the investigation of the removal of pesticide residues on the surface of fruits.

The impact of modified polystyrene on lysozyme fibrillation studied by surface-enhanced Raman spectroscopy (SERS).

Nanoplastics could modulate the fibrillation of amyloid proteins. However, many chemical functional groups are adsorbed to change the interfacial chemistry of nanoplastics in the real world. Herein, this study aimed to investigate the effects of polystyrene (PS), carboxyl modified PS (PS-COOH), and amino modified PS (PS-NH2) on the fibrillation of hen egg-white lysozyme (HEWL). Due to the differences in the interfacial chemistry, concentration was considered an essential factor. PS-NH2 (10 µg/mL) could promote the fibrillation of HEWL similar to PS (50 µg/mL) and PS-COOH (50 µg/mL). Moreover, promoting the primary nucleation step of amyloid fibril formation was the primary reason. The differences in spatial conformation of HEWL were characterized by Fourier transform-infrared spectroscopy and surface enhanced Raman spectroscopy (SERS). Strikingly, a particular signal of SERS of HEWL incubated with PS-NH2 at 1610 cm-1 was found due to the interaction between amino group of PS-NH2 and tryptophan (or tyrosine) of HEWL. Therefore, a new perspective was provided to understand the regulation of interfacial chemistry of nanoplastics on the fibrillation of amyloid proteins. Additionally, this study suggested that SERS could be a powerful method to investigate the interactions between proteins and nanoparticles.

Carbon dots in breadcrumbs: Effect of frying on them and interaction with human serum albumin.

This research confirmed the existence of carbon dots (CDs) in breadcrumbs before frying, and CDs could be significantly affected by frying. The content of CDs increased from 0.013 ± 0.002% to 1.029 ± 0.002%, and the fluorescence quantum yield increased from 1.82 ± 0.01% to 3.16 ± 0.002% after frying at 180℃ for 5 min. The size reduced from 3.32 ± 0.71 nm to 2.67 ± 0.48 nm, and the content of N increased from 1.58% to 2.53%. In addition, the interaction of the CDs and human serum albumin (HSA) through electrostatic and hydrophobic induces the increase of α-helix structure and the change of the amino acid microenvironment of HSA. CDs corona, which may have physiological significance, was found through the transmission electron microscope.

Applicable Strains, Processing Techniques and Health Benefits of Fermented Oat Beverages: A Review.

Based on the high nutrients of oat and the demand of health-conscious consumers for value-added and functional foods, fermented oat beverages have great market prospects. This review summarizes the applicable strains, processing techniques and health benefits of fermented oat beverages. Firstly, the fermentation characteristics and conditions of the applicable strains are systematically described. Secondly, the advantages of pre-treatment processes such as enzymatic hydrolysis, germination, milling and drying are summarized. Furthermore, fermented oat beverages can increase the nutrient content and reduce the content of anti-nutritional factors, thereby reducing some risk factors related to many diseases such as diabetes, high cholesterol and high blood pressure. This paper discusses the current research status of fermented oat beverages, which has academic significance for researchers interested in the application potential of oat. Future studies on fermenting oat beverages can focus on the development of special compound fermentation agents and the richness of their taste.

Reshaped Gut Microbial Composition and Functions Associated with the Antifatigue Effect of Salidroside in Exercise Mice.

SCOPE: Salidroside (SA) is an active compound derived from Rhodiola rosea and is widely used in healthcare foods. However, the underlying mechanism and its specific role in regulating the gut microbial community during exercise (Ex) remains unknown. METHODS AND RESULTS: Mice are subjected to a weight-loaded swimming test (WST) Ex to determine how gut microbiota affects the antifatigue activity of SA. The SA-treated group mice (100 mg kg-1 .bw.) display a significant increase in swimming time compared to the control group (26.2 versus 10.5 min, p < 0.01), as well as an increase in respiratory enzymatic activities after swimming. The respiratory enzymatic activities are significantly higher in the SA-treated group than in the RS (regular rest) group after swimming. The bacteria profiles in the Ex + SA group change significantly with higher species diversity and abundance. Receiver operating characteristic (ROC) curves of Alistipes, Rikenellaceae, Parabacteroides, Candidatus Arthromitus, and Lactobacillus indicate a high diagnostic utility to distinguish SA treatment. Microbial function analysis shows that SA may improve Ex-induced fatigue by modulating energy metabolism-related processes. CONCLUSIONS: SA demonstrates antifatigue effects on various levels of regulating energy metabolism and microbial composition, providing insights into the underlying mechanisms of SA as a natural prebiotic.

Sulfhydryl-functionalized carbon dots as effective probes for fluorescence enhancement detection of patulin.

In this study, sulfydryl-functionalized nitrogen-doped carbon dots (SH-NCDs) was synthesized by amide reaction of hydrothermally synthesized carbon dots with l-cysteine and used to detect patulin selectively. The SH-NCDs exhibited excitation wavelength-independent fluorescence in the range 300-360 nm. The modified sulfhydryl group (-SH) on the surface of NCDs served as a specific recognition site to capture patulin. The addition reaction between patulin and the -SH on the SH-NCDs surface resulted in enhanced fluorescence. SH-NCDs was used as a fluorescent probe for label-free detection of patulin, showing excellent sensitivity in the linear range of 0.1-400 ng mL-1, with detection limits as low as 0.053 ng mL-1. The fluorescent probe has specific selectivity for patulin. The recoveries of patulin in apple juice and grape juice were 88.9 %-99.2 % and 92.5 %-101.8 %, respectively. These results showed that the sensor designed in this experiment selectively detected the target patulin from complex food systems.

Study on the Cellular Anti-Inflammatory Effect of Torularhodin Produced by Sporidiobolus pararoseus ZQHL Isolated from Vinegar Fungus.

The red stretcher bacterium Sporidiobolus pararoseus is a high producer of carotenoids such as torularhodin, but its presence in vinegar has not been detected. Moreover, torularhodin has several biological activities, but its effect on the LPS-induced RAW 264.7 inflammatory cell model has also yet to be elucidated. In this study, S. pararoseus was identified in different vinegar samples from China by ITS sequencing. Meanwhile, one of the strains was deeply resolved by whole genome sequencing and functional annotation and named S. pararoseus ZQHL. Subsequently, the antioxidant effect of the fungal carotenoid torularhodin was investigated using in vitro DPPH, ABTS, and cellular models. Finally, LPS-induced RAW 264.7 cells were used as an inflammation model to assess torularhodin's protective effect on inflammatory cells and to determine whether the TLR4 pathway is associated with this process. The results indicate that torularhodin has good free radical scavenging ability in vitro and can contribute to cell viability. More importantly, torularhodin alleviated LPS-induced cellular inflammatory damage and reduced the expression of inflammatory factors such as TLR4, MyD88, and TNF-a. The mechanism may attenuate the cellular inflammatory response by inhibiting the TLR4 inflammatory pathway. In conclusion, torularhodin produced by S. pararoseus fungi in vinegar samples significantly scavenged free radicals in vitro and alleviated RAW 264.7 cellular inflammation by modulating the TLR4 pathway.