RESUMO
The combination of food chemistry and computational simulation has brought many impacts to food research, moving from experimental chemistry to computer chemistry. This paper will systematically review in detail the important role played by computational simulations in the development of the molecular structure of food, mainly from the atomic, molecular, and multicomponent dimension. It will also discuss how different computational chemistry models can be constructed and analyzed to obtain reliable conclusions. From the calculation principle to case analysis, this paper focuses on the selection and application of quantum mechanics, molecular mechanics and coarse-grained molecular dynamics in food chemistry research. Finally, experiments and computations of food chemistry are compared and summarized to obtain the best balance between them. The above review and outlook will provide an important reference for the intersection of food chemistry and computational chemistry, and is expected to provide innovative thinking for structural research in food chemistry.
Assuntos
Análise de Alimentos , Simulação de Dinâmica Molecular , Análise de Alimentos/métodos , Teoria Quântica , Química Computacional , Simulação por ComputadorRESUMO
Oral processing refers to the series of physical, chemical, and biological processes inside the oral cavity when we consume food. This process affects the taste, quality, and nutrient absorption of the body. In the human diet, oral processing plays a crucial role because it impacts not only the food flavor and texture but also the absorption and utilization of nutrients. With the progress of science and technology and the increasing demand for food, the study of oral processing has become increasingly important. This paper reviews the history and definition of oral processing, its current state of research, and its applications in food science and technology, focusing on personalized taste customization, protein structure modification, food intake and nutrition, and bionic devices. It also analyzes the impact of oral processing on different types of food products and explores its potential in the food industry and science research.
Assuntos
Boca , Paladar , Humanos , Tecnologia de AlimentosRESUMO
Anthocyanin (AN) has good antioxidant and anti-inflammatory bioactivities, but its poor biocompatibility and low stability limit the application of AN in the food industry. In this study, core-shell structured carriers were constructed by noncovalent interaction using tannic acid (TA) and poloxamer 188 (F68) to improve the biocompatibility, stability and smart response of AN. Under different treatment conditions, TA-F68 and AN were mainly bound by hydrophobic interaction. The PDI is less than 0.1, and the particle size of nanoparticles (NPs) is uniform and concentrated. The retention of the complex was 15.50 % higher than that of AN alone after 9 d of light treatment. After heat treatment for 180 min, the retention rate after loading was 13.87 % higher than that of AN alone. The carrier reduce the damage of AN by the digestive environment, and intelligently and sustainedly release AN when the esterase is highly expressed. In vitro studies demonstrated that the nanocarriers had good biocompatibility and significantly inhibited the overproduction of reactive oxygen species induced by oxidative stress. In addition, AN-TA-F68 has great potential for free radical scavenging at sites of inflammation. In conclusion, the constructed nano-delivery system provides a potential application for oral ingestion of bioactive substances for intervention in ulcerative colitis.
Assuntos
Antocianinas , Nanopartículas , Antocianinas/farmacologia , Polifenóis/farmacologia , Antioxidantes/farmacologiaRESUMO
Proteins and anthocyanins coexist in complex food systems. This research mainly studied the steady-state protective design and mechanism of the preheated protein against anthocyanins. Multispectral and molecular dynamics are utilized to illustrate the interaction mechanism between preheated whey protein isolate (pre-WPI) and anthocyanins. The pre-WPI could effectively protect the stability of anthocyanins, and the effect was better than that of the natural whey protein isolate (NW). Among them, NW after preheating treatment at 55 °C showed better protection against anthocyanin stability. Fluorescence studies indicated that pre-WPI there existed a solid binding affinity and static quenching for malvidin-3-galactoside (M3G). Multispectral data showed a significant variation in the secondary structure of pre-WPI. Furthermore, molecular dynamics simulation selects AMBER18 as the protein force field, and the results showed that hydrogen bonding participated as an applied force. Compared with NW, pre-WPI could better wrap anthocyanins and avoid damage to the external environment due to tightening of the pockets. Protein protects anthocyanins from degradation, and this protective effect is influenced by the preheating temperature of protein and the structure of protein. On the basis of the above results, it is possible to pinpoint the interaction mechanism between preheated proteins and anthocyanins.
Assuntos
Antocianinas , Mirtilos Azuis (Planta) , Antocianinas/química , Proteínas do Soro do Leite/química , Mirtilos Azuis (Planta)/química , Temperatura , Simulação de Dinâmica MolecularRESUMO
Extracellular vesicles (EVs) are naturally occurring non-replicating particles released from cells, known for their health-promoting effects and potential as carriers for drug delivery. Extensive research has been conducted on delivery systems based on culture-cell-derived EVs. Nevertheless, they have several limitations including low production yield, high expenses, unsuitability for oral administration, and safety concerns in applications. Conversely, food-derived EVs (FDEVs) offer unique advantages that cannot be easily substituted. This review provides a comprehensive analysis of the biogenesis pathways, composition, and health benefits of FDEVs, as well as the techniques required for constructing oral delivery systems. Furthermore, it explores the advantages and challenges associated with FDEVs as oral nanocarriers, and discusses the current research advancements in delivering active phytoconstituents. FDEVs, functioning as a nanocarrier platform for the oral delivery of active molecules, present numerous benefits such as convenient administration, high biocompatibility, low toxicity, and inherent targeting. Nevertheless, numerous unresolved issues persist in the isolation, characterization, drug loading, and application of FDEVs. Technical innovation and standardization of quality control are the key points to promote the development of FDEVs. The review aimed to provide frontier ideas and basic quality control guidelines for developing new functional food based on FDEVs oral drug delivery system.
Extracellular vesicles (EVs) are excellent nano-carriers for active molecules.Food-derived EVs (FDEVs) are better sources of EVs in delivery applications.Active phytoconstituents could be protected by loading them into FDEVs.The development of FDEVs-based delivery system is promising in new functional food.
RESUMO
The purpose of this study is to explore the optimal conditions for the preparation of bovine serum albumin (BSA)/casein (CA)-dextran (DEX) conjugates by ultrasonic pretreatment combined with glycation (U-G treatment). When BSA and CA were treated with ultrasound (40% amplitude, 10 min), the grafting degree increased 10.57% and 6.05%, respectively. Structural analysis revealed that ultrasonic pretreatment changed the secondary structure, further affected functional properties of proteins. After U-G treatment, the solubility and thermal stability of BSA and CA was significantly increased, and the foaming and emulsifying capacity of proteins were also changed. Moreover, ultrasonic pretreatment and glycation exhibited a greater impact on BSA characterized with highly helical structure. Complexes fabricated by U-G-BSA/CA and carboxymethyl cellulose (CMC) exhibited protection on anthocyanins (ACNs), delaying the thermal degradation of ACNs. In conclusion, the protein conjugates treated by ultrasonic pretreatment combined with glycation have excellent functionality and are potential carrier materials.
Assuntos
Antocianinas , Reação de Maillard , Antocianinas/química , Estrutura Secundária de Proteína , Soroalbumina Bovina/química , Proteínas/químicaRESUMO
Anthocyanins are bioactive compounds found in blueberries. However, their poor bioavailability restricts their functional activities in vivo, which is a challenging issue in the application of blueberry anthocyanins. Our current study utilized α-casein as a carrier and analyzed its influence on the excretion of blueberry anthocyanins in urine and feces in a rat model to reflect the enhanced bioavailability of blueberry anthocyanins by α-casein in vivo. The results showed that α-casein suppressed the excretive content of blueberry anthocyanins (malvidin-3-O-galacoside (M3G), cyanidin-3-O-glucoside (C3G), and delphinidin-3-O-glucoside (D3G)), increased the content of metabolites in urine (syringic acid, ferulic acid, 4-hydroxybenzoic acid, and vanillic acid), and reduced metabolite content in feces (syringic acid, ferulic acid, and gallic acid), indicating that α-casein was effective in controlling the excretion of blueberry anthocyanins and their metabolites. In summary, these results provided sufficient evidence for the positive effects of α-casein on the bioavailability of blueberry anthocyanins.
Assuntos
Antocianinas , Mirtilos Azuis (Planta) , Ratos , Animais , Antocianinas/metabolismo , Mirtilos Azuis (Planta)/metabolismo , Caseínas/metabolismo , Disponibilidade Biológica , Fezes , Glucosídeos/metabolismoRESUMO
The incidence of the intestinal disease is globally increasing, and the intestinal mucosa immune system is an important defense line. A potential environmental cause to regulate gut health is diet. Cyanidin-3-O-glucoside is a natural plant bioactive substance that has shown rising evidence of improving intestinal disease and keeping gut homeostasis. This review summarized the intestinal protective effect of Cyanidin-3-O-glucoside in vivo and in vitro and discussed the potential mechanisms by regulating the intestinal mucosal immune system. Cyanidin-3-O-glucoside and phenolic metabolites inhibited the presence and progression of intestinal diseases and explained from the aspects of repairing the intestinal wall, inhibiting inflammatory reaction, and regulating the gut microbiota. Although the animal and clinical studies are inadequate, based on the accumulated evidence, we propose that the interaction of Cyanidin-3-O-glucoside with the intestinal mucosal immune system is at the core of most mechanisms by which affect host gut diseases. This review puts forward the potential mechanism of action and targeted treatment strategies.
Assuntos
Glucosídeos , Enteropatias , Animais , Glucosídeos/farmacologia , Glucosídeos/uso terapêutico , Mucosa Intestinal , Antocianinas/uso terapêutico , Sistema ImunitárioRESUMO
The health benefits of anthocyanins are compromised by their chemical instability and susceptibility to external stress. Researchers found that the interaction between anthocyanins and macromolecular components such as proteins and polysaccharides substantially determines the stability of anthocyanins during food processing and storage. The topic thus has attracted much attention in recent years. This review underlines the new insights gained in our current study of physical and chemical properties and functional properties in complex food systems. It examines the interaction between anthocyanins and food proteins or polysaccharides by focusing on the "structure-stability" relationship. Furthermore, multispectral and molecular computing simulations are used as the chief instruments to explore the interaction's mechanism. During processing and storage, the stability of anthocyanins is generally influenced by the adverse characteristics of food and beverage, including temperature, light, oxygen, enzymes, pH. While the action modes and types between protein/polysaccharide and anthocyanins mainly depend on their structures, the noncovalent interaction between them is the key intermolecular force that increases the stability of anthocyanins. Our goal is to provide the latest understanding of the stability of anthocyanins under food processing conditions and further improve their utilization in food industries. Practical Application: This review provides support for the steady-state protection of active substances.
Assuntos
Antocianinas , Polissacarídeos , Antocianinas/química , Bebidas , Alimentos , Oxigênio , Polissacarídeos/químicaRESUMO
In the presence of vitamin C, cyanidin and cyanidin glycosides are degraded during the processing and storage of food products. To solve this issue, we investigated the protective effects and mechanism of action of five amino acids on the stability of cyanidin and its glycosides from chokeberry. The results showed that 0.3% tryptophan most effectively inhibited the degradation of cyanidin and its glycosides in the presence of vitamin C, under ultraviolet, dark, and sucrose-rich conditions. Fluorescence spectrum analysis showed that tryptophan could form noncovalent binding complexes with cyanidin-3-O-galactoside and cyanidin through hydrophobic and electrostatic forces and hydrogen bonds. Molecular docking results showed that the indole structure of tryptophan could form hydrophobic interactions with cyanidin-3-O-galactoside and cyanidin via hydrogen bonding, resulting in greater protection. Therefore, tryptophan could effectively protect cyanidin and its glycosides in cyanidin- and cyanidin glycoside-rich food products.
Assuntos
Ácido Ascórbico , Glicosídeos , Aminoácidos , Antocianinas/química , Galactosídeos/química , Glicosídeos/química , Simulação de Acoplamento Molecular , Substâncias Protetoras , Triptofano/química , Vitaminas/químicaRESUMO
The mechanism underlying the hypoglycemic effect of the simultaneous use of metformin and anthocyanin-rich foods is not yet clear. Hence, the effects and possible mechanisms of action of these substances, alone and in combination, were evaluated in insulin-resistant HepG2 cells and a diabetic mouse model. The results indicated that anthocyanin and metformin had a significant synergistic effect on glucose consumption (CI < 0.9) compared with metformin alone in HepG2 cells. In the mouse model, combined treatment (50 and 100 mg/kg metformin + anthocyanin groups) demonstrated synergistic restorative effects on the blood glucose level, insulin resistance, and organ damage in the liver, pancreas, and ileum. Additionally, combined metformin and anthocyanin treatment suppressed protein tyrosine phosphatase 1B expression and regulated the PI3K/AKT/GSK3ß pathway. Combined treatment also altered the gut microbial composition and structure by increasing the relative abundance of beneficial bacteria and the short-chain fatty acid content. These results suggest that the use of anthocyanins can enhance the efficacy of metformin treatment for hyperglycemia and provide a reference for further clinical research regarding nutrition and supplementary treatment.
Assuntos
Hiperglicemia , Resistência à Insulina , Metformina , Animais , Antocianinas , Hiperglicemia/tratamento farmacológico , Hipoglicemiantes/farmacologia , Camundongos , Fosfatidilinositol 3-QuinasesRESUMO
The application of blueberry anthocyanins (ANs) was limited due to their low in-process stability and bioavailability. In our study, the stability and antioxidant capacity of ANs before and after adding bovine serum albumin (BSA) were examined by simulating various processing, storage (light, sucrose, and vitamin C (Vc)), and in vitro simulated digestion parameters. For this purpose, pH-differential method, high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS), peroxyl scavenging capacity assay, and cellular antioxidant assay were conducted. BSA at different concentrations, specifically at 0.15 mg/mL, inhibited the degradation of ANs and the loss of antioxidant capacity. The results suggest that BSA has a positive effect on ANs.
Assuntos
Mirtilos Azuis (Planta) , Antocianinas/análise , Antioxidantes , Cromatografia Líquida de Alta Pressão , Digestão , Extratos Vegetais , Soroalbumina Bovina , Espectrometria de Massas em TandemRESUMO
In this study, we tested the in vitro efficacy of a graphene oxide-chitooligosaccharide (GO-COS) complex developed to protect blueberry anthocyanins (An) from degradation by various physicochemical factors and the digestive process. We prepared a GO-COS complex to adsorb An and protect them from the destructive effects of their ambient environment. The complex protected the An under various temperature, pH, light, oxidant, and reductant conditions. We evaluated An content and composition in a simulated digestive system using the pH differential method and the high performance liquid chromatography-mass spectrometry (HPLC-MS). The GO-COS carrier stabilized An in the intestine and protected their peroxyl radical-scavenging capacity. Additionally, we observed a dose-response relationship between An content and cellular antioxidant activity, and simultaneous improvement of An bioavailability when the An were encapsulated in the complex. The complex inhibited HepG2 cell proliferation at the tested dose range. This study provides valuable information for stability of An-rich products.
Assuntos
Mirtilos Azuis (Planta) , Antocianinas/análise , Antioxidantes , Quitosana , Cromatografia Líquida de Alta Pressão , Digestão , Grafite , Oligossacarídeos , Extratos VegetaisRESUMO
As an emerging digital production technology, 3D food printing intends to meet the demand for customized food design, personalized nutrition, simplification of the food supply chain system, and greater food material diversity. Most 3D food printing studies focus on the development of materials for extrusion-based food printing. Plant-based foods are essential for a healthy diet, and they are growing in popularity as their positive effects on human health gain wider recognition. The number of original studies on plant-based printable materials has increased significantly in the past few years. Currently, there is an absence of a comprehensive systematic review on the applications of plant-based materials in extrusion-based food printing. Thus, this review aims to provide a more intuitive overview and guidance for future research on 3D printing of plant-based materials. The requirements, classifications, and binding mechanisms of extrusion-based food printing materials are first summarized. Additionally, notable recent achievements and emerging trends involving the use of plant-based materials in extrusion-based food printing are reviewed across three categories, namely, hot-melt (e.g., chocolate), hydrogel, and soft (e.g., cereal- and fruit/vegetable-based) materials. Finally, the challenges facing 3D food printing technology as well as its future prospects are discussed.
Assuntos
Chocolate , Impressão Tridimensional , Alimentos , Tecnologia de Alimentos , Humanos , HidrogéisRESUMO
Blueberry anthocyanins are well known for their beneficial biological activities. However, the poor bioavailability of anthocyanins limits their functional capacity in vivo. Our current study aimed to detect the effects of α-casein on the absorption of blueberry anthocyanins and their metabolites in rats. Blueberry anthocyanins with and without α-casein were intragastrically administered to two groups of rats and their blood samples were collected within 24 h. Results illustrated that rapid absorption of anthocyanins was observed in the rat plasma, but their concentration was relatively low. With the complexation of α-casein, the maximum concentration (Cmax) of bioavailable anthocyanins and metabolites could increase by 1.5-10.1 times (P < 0.05 or P < 0.01). The promotional effect on the plasma absorption of malvidin-3-O-galactoside and vanillic acid was outstanding with the Cmax increasing from 0.032 to 0.323 and from 0.360 to 1.902 µg/mL, respectively (P < 0.01). Besides, the molecular docking models presented that anthocyanins could enter the structural cavity and interact with amino acid residues of α-casein, which was in accordance with the improved bioavailability of anthocyanins. Therefore, α-casein could assist more blueberry anthocyanins and their metabolites to enter blood circulation.
Assuntos
Mirtilos Azuis (Planta) , Animais , Antocianinas/metabolismo , Disponibilidade Biológica , Mirtilos Azuis (Planta)/metabolismo , Caseínas , Simulação de Acoplamento Molecular , RatosRESUMO
The processing stability and antioxidant capacity of blueberry anthocyanins (ANs) in the presence of whey protein isolate (WPI) were examined. WPI was found to enhance both the stability and antioxidant activity of ANs during processing and simulated in vitro digestion, especially at a concentration of 0.15 mg·mL-1. Fluorescence and ultraviolet-visible absorption spectroscopy showed that ANs were primarily stabilized by hydrophobic forces between WPI and malvidin-3-O-galactoside (M3G), the major anthocyanin monomer. Circular dichroism and Fourier-transform infrared spectroscopy confirmed that the structure of WPI changed and the microenvironments of certain amino acid residues were modulated by non-covalent binding to M3G; furthermore, fewer α-helices and more ß-sheets were formed. Molecular docking studies revealed that WPI, especially immunoglobulin (IgG), contributed the most to ANs stability via hydrogen bonds and hydrophobic forces according to molecular docking scores (-141.30 kcal/mol). These results provided an important fundamental basis for improving the stabilities of ANs in milk systems.
Assuntos
Antocianinas/química , Antioxidantes/química , Mirtilos Azuis (Planta)/química , Simulação de Acoplamento Molecular , Proteínas do Soro do Leite/química , Animais , Ligação de Hidrogênio , Interações Hidrofóbicas e HidrofílicasRESUMO
To date, how pH affects starch-polyphenol mixtures has not been thoroughly investigated. This study explored the impact of combining apple polyphenol (AP) with both normal rice starch (NRS) and normal maize starch (NMS) across a range of pH conditions. NRS-AP mixture particle sizes across a pH range of 3-8 varied from 169.9 ± 5.4 to 187.5 ± 6.9 µm, while for NMS-AP particles, these sizes ranged from 161.8 ± 8.0 to 176.0 ± 4.9 µm, indicating that the aggregation of starch-AP was inhibited under low pH condition. The melting enthalpy (â³H) values of the NRS-AP mixture across a pH range of 3-8 were 8.50 ± 0.06-9.56 ± 0.12 J/g, while the corresponding value for the NMS-AP mixture was 5.77 ± 0.05-6.21 ± 0.08 J/g. FTIR analyses revealed that the degree of order of these starch-AP mixtures significantly decreased under low pH conditions. XRD analysis further revealed that both NRS-AP and NMS-AP mixtures exhibited V-type structures, and relative crystallinity levels decreased significantly under low pH conditions. Together, these results indicate that low pH values inhibit the recrystallization of NRS-AP and NMS-AP mixtures. Overall, these findings provide additional evidence regarding the interactions between AP and specific starches under a range of pH conditions.
RESUMO
This study investigates the effects of bovine serum albumin (BSA) on blueberry anthocyanins and their interaction. Findings showed that BSA could protect blueberry anthocyanins against degradation and retain their antioxidant activity at an ideal concentration of 0.15â¯mg/mL under three deteriorating treatments: illumination, vitamin Câ¯+â¯illumination, and sucrose + illumination. The fluorescence and UV absorption spectra showed that malvidin-3-o-galactoside (M3G), the major monomer in blueberry anthocyanins, led to a static quenching of BSA and the binding site of M3G to BSA was approximately one. Further, the interaction was a spontaneous process with electrostatic interactions being the main force. CD spectra and synchronous fluorescence spectra presented alterations in the secondary structure and microenvironment of Trp and Tyr residues of BSA, respectively, upon interaction with M3G. Finally, molecular docking analysis showed that M3G mainly bound the II and III domains of BSA by hydrogen bonds and electrostatic interaction. In conclusion, our study highlights the protective effects of BSA on the stability and anti-oxidant activity of blueberry anthocyanins and their interaction analysis.
Assuntos
Antocianinas/análise , Mirtilos Azuis (Planta)/química , Luz , Soroalbumina Bovina/farmacologia , Antocianinas/metabolismo , Antioxidantes/análise , Ácido Ascórbico/farmacologia , Benzotiazóis , Sítios de Ligação , Mirtilos Azuis (Planta)/efeitos dos fármacos , Dicroísmo Circular , Ligação de Hidrogênio , Simulação de Acoplamento Molecular , Espectrometria de Fluorescência , Espectrofotometria Ultravioleta , Eletricidade Estática , Sacarose/farmacologia , Ácidos Sulfônicos , Termodinâmica , Triptofano/metabolismo , Tirosina/metabolismoRESUMO
Clerodane diterpenoids are the main bioactive constituents of Croton crassifolius and are proved to have multiple biological activities. However, quality control (QC) research on the constituents are rare. Thus, the major research purpose of the current study was to establish an efficient homogenate extraction (HGE) process combined with a sensitive and specific ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLCâ»MS) technique together for the rapid extraction and determination of clerodane diterpenoids in C. crassifolius. All calibration curves showed good linearity (r > 0.9943) within the test ranges and the intra- and inter-day precisions and repeatability were all within required limits. This modified HGEâ»UHPLCâ»MS method only took 5 min to extract nine clerodane diterpenoids in C. crassifolius and another 12 min to quantify these components. The results indicated that the quantitative analysis based on UHPLCâ»MS was a feasible method for QC of clerodane diterpenoids in C. crassifolius, and the findings outlined in the current study also inferred the potential of the method in the QC of clerodane diterpenoids in other complex species of plants.