Machine learning methods for unveiling the potential of antioxidant short peptides in goat milk-derived proteins during in vitro gastrointestinal digestion.

Milk serves as an important dietary source of bioactive peptides, offering notable benefits to individuals. Among the antioxidant short peptides (di- and tripeptides) generated from gastrointestinal digestion are characterized by enhanced bioavailability and bioaccessibility, while assessing them individually presents a labor-intensive and expensive challenge. Based on 4 distinct types of amino acid descriptors (physicochemical, 3D structural, quantum, and topological attributes) and genetic algorithms for feature selection, 1 and 4 machine learning predicted models separately for di- and tripeptides with ABTS radical scavenging capacity exhibited excellent fitting and prediction ability with random forest regression as machine learning algorithm. Intriguingly, the electronic properties of N-terminal amino acid were considered as only factor affecting the antioxidant capacity of dipeptides containing both tyrosine and tryptophan. Four peptides from the potential di- and tripeptides exhibited highly predicted values by the constructed predicted models. Subsequently, a total of 45 dipeptides and 52 tripeptides were screened by a customized workflow in goat milk during in vitro simulated digestion. In addition to 5 known antioxidant dipeptides, 9 peptides were quantified during digestion, falling within the range of 0.04 to 1.78 mg L-1. Particularly noteworthy was the promising in vivo functionality of antioxidant dipeptides with N-terminal tyrosine, supported by in silico assays. Overall, this investigation explored crucial molecular properties influencing antioxidant short peptides and high-throughput screening potential peptides with antioxidant activity from goat milk aided by machine learning, thereby facilitating the identification of novel bioactive peptides from milk-derived proteins and paving the way for understanding their metabolites during digestion.

Serum 25-Hydroxyvitamin D Level Is Positively Associated with Vascular Reactivity Index in Patients with Type 2 Diabetes Mellitus.

Circulating 25-hydroxyvitamin D (25(OH)D) significantly influences endothelial function. This study assessed the correlation between serum 25(OH)D and endothelial function using the vascular reactivity index (VRI) in patients with type 2 diabetes mellitus (T2DM). Fasting blood samples from 102 T2DM participants and VRI were assessed. Patients were divided into three categories based on VRI: low (VRI < 1.0), intermediate (1.0 ≤ VRI < 2.0), and good (VRI ≥ 2.0). Among these patients, 30 (29.4%) had poor, 39 (38.2%) had intermediate, and 33 (32.4%) exhibited good vascular reactivity. Higher serum fasting glucose (p = 0.019), glycated hemoglobin (p = 0.009), and urinary albumin-to-creatinine ratio (p = 0.006) were associated, while lower prevalence of hypertension (p = 0.029), lower systolic blood pressure (p = 0.027), lower diastolic blood pressure (p < 0.001), and lower circulation 25(OH)D levels (p < 0.001) were associated with poor vascular reactivity. Significant independent associations between diastolic blood pressure (p = 0.002) and serum 25(OH)D level (p < 0.001) and VRI were seen in T2DM patients according to multivariable forward stepwise linear regression analysis. Serum 25(OH)D positively correlated with VRI values, and lower levels of serum 25(OH)D were linked to endothelial dysfunction in T2DM patients.

Investigating the Corrosive Influence of Chloride Ions on Slag Recovery Machine Inner Guide Wheel in Power Plants.

An important method that coal-fired power plants use to realise low-cost zero discharge of desulfurisation wastewater (FGD wastewater) is to utilise wet slag removal systems. However, the high Cl- content of FGD wastewater in wet slag removal systems causes environmental damage. In this study, the corrosion behaviour of the inner guide wheel material, 20CrMnTi, was studied using dynamic weight loss and electrochemical methods. X-ray diffraction, scanning electron microscopy, and energy spectroscopy were used to analyse the organisational and phase changes on the surfaces and cross sections of the samples at different Cl- concentrations. The corrosion rate increased with the Cl- concentration up to 20 g/L, but it decreased slightly when the Cl- concentration exceeded 20 g/L. In all the cases, the corrosion rate exceeded 0.8 mm/a. The corrosion product film density initially increased and then decreased as the Cl- concentration increased. The corrosion products comprised mainly α-FeOOH, γ-FeOOH, ß-FeOOH, Fe3O4, and γ-Fe2O3.

Virtual screening, identification, and potential antioxidant mechanism of novel bioactive peptides during aging by a short-chain peptidomics, quantitative structure-activity relationship analysis, and molecular docking.

Antioxidant peptides have received a great deal of attention. However, only a few studies have been conducted on the antioxidant peptides originating from Baijiu. A total of 1490 features deemed potential short-chain peptides (the amino acid number between 2 and 4, SCPs) were screened and analyzed by a customized short-chain peptidomics approach in Feng-flavor Baijiu (FFB) during 14 years of aging, with an obvious discrepancy between FFB aged for 3 years and 6 years being observed. Thirty-nine characteristic SCPs in total were identified and accurately quantified by high-throughput parallel reaction monitoring-based synthetic standards, with the contents ranging from 0.16 to 279.33 µg L-1. Combined with the absorption, distribution, metabolism, excretion, and toxicity analysis model, PGRW, WK, SC, and PAW, four novel antioxidant peptides with high ABTS radical scavenging capacity, were obtained using a customized quantitative structure-activity relationship (QSAR) model based on a two terminal position numbering method, with satisfied coefficients of determination (R2), internal cross-validated R2 (Q2), and external R2 (R2pre) of 0.925, 0.808, and 0.665, respectively. Furthermore, these 4 antioxidant peptides could block the Keap-Nrf2 interaction and promote the accumulation of Nrf2 by molecular docking analysis, and the interaction energy between peptide PGRW and Keap1 was higher than that between epigallocatechin gallate and Keap1 based on CHARMm forced field. Overall, this study facilitated the discovery of functional peptides in Baijiu and the understanding of aging mechanisms.

Serum sclerostin level is positively associated with endothelial dysfunction measured by digital thermal monitoring in patients with type 2 diabetes: A prospective cross-sectional study.

Sclerostin and dickkopf-1 (DKK1), extracellular inhibitors of the canonical Wnt/ß-catenin signaling pathway, have been associated with vascular aging and atherosclerosis. This study aimed to assess the correlation of sclerostin and DKK1 concentrations with endothelial function measured using vascular reactivity index (VRI) in patients with type 2 diabetes mellitus (T2DM). Fasting blood samples were collected from 100 patients with T2DM. Endothelial function and VRI were measured using digital thermal monitoring and circulating sclerostin and DKK1 levels by enzyme-linked immunosorbent assays. VRI values < 1.0, 1.0-1.9, and > 2.0 indicated poor, intermediate, and good vascular reactivity, respectively. Overall, 30, 38, and 32 patients had poor, intermediate, and good vascular reactivity, respectively. Older age, higher serum glycated hemoglobulin, urinary albumin-to-creatinine ratio, and sclerostin as well as lower hypertension prevalence, systolic blood pressure, and diastolic blood pressure (DBP) were associated with poor VRI. Multivariable forward stepwise linear regression analysis showed that DBP (ß = 0.294, adjusted R2 change = 0.098, P < .001), log-glycated hemoglobin (ß = -0.235, adjusted R2 change = 0.050, P = .002), log-urine albumin-to-creatinine ratio (ß = -0.342, adjusted R2 change = 0.227, P < .001), and log-sclerostin level (ß = -0.327, adjusted R2 change = 0.101, P < .001) were independently associated with VRI. Serum sclerostin, along with glycated hemoglobin and albumin-to-creatinine ratio, exhibited a negative correlation with VRI, while DBP showed a positive correlation with VRI. These factors can independently predict endothelial dysfunction in patients with T2DM.

The Effects of the Pre-Anodized Film Thickness on Growth Mechanism of Plasma Electrolytic Oxidation Coatings on the 1060 Al Substrate.

To increase the density of the micro-arc oxide coating, AA 1060 samples were pretreated with an anodic oxide film in an oxalic acid solution. Plasma electrolytic oxidation (PEO) was performed to investigate the effect of the thickness of the pre-anodic oxide film on the soft-sparking mechanism. The experimental results revealed that the PEO coating phases with different thicknesses of the pre-anodized films contained both Al and gamma-alumina (γ-Al2O3). The pre-anodized film changes the final morphology of the coating, accelerating the soft sparking transition and retaining the soft sparking. At a pre-anodized film thickness of ≤7.7 µm, the anodized films thickened before being broken through. When the pre-anodized film thickness was ≥13.1 µm, partial dissolution of the anodized films occurred before they were struck through. Two growth mechanisms for PEO coatings with different pre-anodized film thicknesses were proposed.

Investigating the Corrosive Influence of Chloride Ions on Slag Recovery Machine Shells in Power Plants.

An effective strategy for achieving cost-effective and environmentally friendly desulfurization wastewater in coal-fired power plants involves the incorporation of desulfurization wastewater into the slag water system. The objective of this study was to analyze the corrosion behavior of Q235-A slag-picker shell material upon the introduction of FGD wastewater into the slag water system. The dynamic weight loss method, electrochemical testing method and microscopic phase characterization were employed to investigate the impact of varying chloride ion concentrations (ranging from 1000 mg/L to 30,000 mg/L) of flue gas desulfurization wastewater (FGD wastewater) on the corrosion of Q235-A slag-picker shell material. The test results indicate that as the concentration of chloride ions increases, the corrosion rate increases from 1.1487 mm/a to 1.5590 mm/a when the concentration is less than 10,000 mg/L. However, when the concentration exceeds 10,000 mg/L, the corrosion rate decreases from 1.559 mm/a to 1.0393 mm/a. The corrosion rate is above 1 mm/a at all concentrations. As the Cl- concentration, the quality of the corrosion product film initially increases and then decreases. The primary components of the corrosion product are α- FeOOH, γ-FeOOH, ß-FeOOH, Fe3O4 and γ-Fe2O3.

Bioaccessibility of novel antihypertensive short-chain peptides in goat milk using the INFOGEST static digestion model by effect-directed assays.

Short-chain peptides (SCPs, 2-4 amino acids) offer potential health benefits. A customized workflow was designed to screen SCPs in goat milk during INFOGEST digestion in vitro and 186 SCPs were preliminarily identified. Based on a two-terminal position numbering method and genetic algorithm combined with a support vector machine, 22 SCPs with predicted IC50 values less than 10 µM were obtained using a quantitative structure-activity relationship (QSAR) model with satisfactory fitting and predictive capacity (R2, RMSE, Q2, and R2pre of 0.93, 0.27, 0.71, and 0.65, respectively). Four novel antihypertensive SCPs were confirmed by testing in vitro and molecular docking analysis, and their quantification results (0.06 to 1.53 mg L-1) suggested distinct metabolic fates. This study facilitated the discovery of unknown potential food-derived antihypertensive peptides and the understanding of bioaccessible peptides during digestion.

Serum Leptin Level is Positively Correlated with Aortic Stiffness in Patients with Type 2 Diabetes Mellitus.

BACKGROUND: The global number of people living with diabetes mellitus (DM) continues to grow. Obesity, smoking, hypercholesterolemia, and hypertension are independently correlated with the risk of cardiovascular disease (CVD) in diabetic patients regardless of differences in race or ethnicity. We aimed to investigate the relationship between serum leptin levels and aortic stiffness in patients with type 2 DM to identify cardiovascular risk at the early stage. METHODS: A total of 128 diabetic patients were enrolled after screening for eligibility at a medical center in Eastern Taiwan. Aortic stiffness was defined as having a carotid-femoral pulse wave velocity (cfPWV) of >10 m/s using applanation tonometry. Fasting serum levels of leptin and other associated biomarkers were determined by enzyme immunoassay or biochemical analyses. RESULTS: Forty-six diabetic patients with a cfPWV of >10 m/s were included in the aortic stiffness group. Compared with the control group (n = 82), our aortic stiffness group was significantly older (p = 0.019) and had higher body fat mass (p = 0.002), systolic blood pressure (SBP) (p < 0.001), serum triglyceride (p = 0.02), and serum leptin (p < 0.001). Aortic stiffness was also associated with insulin resistance (p = 0.026) and poorer blood sugar control (higher fasting glucose (p = 0.044) and glycated hemoglobin (HbA1c) (p = 0.049)). In the multivariable linear regression analyses examining the correlations between aortic stiffness and clinical variables, we found that age (ß = 0.291; p < 0.001), SBP (ß = 0.176; p = 0.033), logarithmically transformed urinary albumin-creatinine ratio (ß = 0.256; p = 0.002), and serum leptin levels (ß = 0.244; p = 0.002) were independently associated with cfPWV values. The analyses showed that only leptin was correlated with a higher probability of aortic stiffness (odds ratio: 1.055, 95% confidence interval: 1.005-1.107, p = 0.031). CONCLUSIONS: The results suggested that serum leptin is positively associated with aortic stiffness in patients with type 2 DM.

New insights into the bioaccessibility and metabolic fates of short-chain bioactive peptides in goat milk using the INFOGEST static digestion model and an improved data acquisition strategy.

The metabolic fates of potentially bioactive short-chain peptides (SCPs; amino acid numbers between 2 and 4) in gastrointestinal digestion have received little attention due to their low concentration and broad suppression during high resolution mass spectrometry (HRMS) analysis. A tailored workflow integrating mesoporous magnetic solid phase extraction and a novel ion transmission strategy (data-dependent acquisition combined with both an inclusion list and an exclusion list followed by a data-independent acquisition) was used to profile the composition of SCPs during in vitro simulated digestion (LOQ 0.02 to 0.1 µg L-1). A total of 47 dipeptides, 59 tripeptides, and 21 tetrapeptides were identified and quantified from 0.01 to 27.84 mg L-1 (RSD ≤ 9.1%) based on parallel reaction monitoring and an internal standard method. The structural properties of stable SCPs resistant to intestinal digestion were determined by analysis of variance (p < 0.05), with a Pro residue at the C-terminal or penultimate position, a slightly greater negative charge at pH 7.0, and fewer C-terminal aliphatic and polar amino acids. SCPs' metabolic fates varied during digestion, but the overall trend of content change for either total or individual SCP increased as the digestion proceeded, and they were further assessed by a database-driven bioactivity search, which matched a wide variety of bioactivities with the predominance of dipeptidyl peptidase (DPP) IV and angiotensin-converting enzyme (ACE) inhibitors. This study facilitated the understanding of bioaccessibility of the food-derived SCPs and provided essential guidelines for the properties of conserved structure in vivo.

Preparation and Modification of Polydopamine Boron Nitride-Titanium Dioxide Nanohybrid Particles Incorporated into Zinc Phosphating Bath to Enhance Corrosion Performance of Zinc Phosphate-Silane Coated Q235 Steel.

In this work, PDA@BN-TiO2 nanohybrid particles were incorporated chemically into a zinc-phosphating solution to form a robust, low-temperature phosphate-silane coating on Q235 steel specimens. The morphology and surface modification of the coating was characterized by X-Ray Diffraction (XRD), X-ray Spectroscopy (XPS), Fourier-transform infrared spectroscopy (FT-IR), and Scanning electron microscopy (SEM). Results demonstrate that the incorporation of PDA@BN-TiO2 nanohybrids produced a higher number of nucleation sites and reduced grain size with a denser, more robust, and more corrosion-resistant phosphate coating compared to pure coating. The coating weight results showed that the PBT-0.3 sample achieved the densest and most uniform coating (38.2 g/m2). The potentiodynamic polarization results showed that the PDA@BN-TiO2 nanohybrid particles increased phosphate-silane films' homogeneity and anti-corrosive capabilities. The 0.3 g/L sample exhibits the best performance with an electric current density of 1.95 × 10-5 A/cm2, an order of magnitude lower than that of the pure coatings. Electrochemical impedance spectroscopy revealed that PDA@BN-TiO2 nanohybrids provided the greatest corrosion resistance compared to pure coatings. The corrosion time for copper sulfate in samples containing PDA@BN/TiO2 prolonged to 285 s, a significantly higher amount of time than the corrosion time found in pure samples.

Goat milk-derived short chain peptides: Peptide LPYV as species-specific characteristic and their versatility bioactivities by MOF@Fe3O4@GO mesoporous magnetic-based peptidomics.

Goat milk as an ideal substitute for human milk has not been sufficiently explored. An in-situ synthesized MOF@Fe3O4@GO was demonstrated as a magnetic mesoporous adsorbent for efficiently enriching short chain peptides (SCPs) in milk compared with the routine solid phase extraction approach with graphite carbon black or C18 as the packing material in terms of the number of enriched SCPs and data stability. A total of 61 and 126 SCPs were identified and quantified in bovine milk (0.09-89.34 µg L-1) and goat milk (10.5-1267.06 µg L-1), respectively, and peptide LPYV can be used as a potential marker for adulteration of goat milk. Relative high expression of chymotrypsin and pepsin by EnzymePredictor analysis could partially elaborate the reason of the abundance of SCPs in goat milk. Compared with bovine milk, further bioinformatics analysis indicated that goat milk could own higher nutritional value because of relative higher concentrations (>1 mg/L) of SCPs (LLV, FL, LVYP) with confirmed bioactivities including angiotensin-converting enzyme (ACE) inhibitor, antioxidant, dipeptidylpeptidase (DPP) III and DPP IV inhibitor, etc. Overall, this study opened a novel avenue for understanding versatility benefit of dairy products from a perspective of SCPs by using a developed MOF@Fe3O4@GO mesoporous magnetic-based peptidomics.

UHPLC-Q-Orbitrap-Based Integrated Lipidomics and Proteomics Reveal Propane-1,2-diol Exposure Accelerating Degradation of Lipids via the Allosteric Effect and Reducing the Nutritional Value of Milk.

The scandal of detecting the flavoring solvent propane-1,2-diol (PD) in milk has brought a crisis to the trust of consumers in the dairy industry, while its deposition and transformation are still indistinct. Pseudo-targeted lipidomics revealed that PD accelerated the degradation of glycerolipid (33,638.3 ± 28.9 to 104,54.2 ± 28.4 mg kg-1), phosphoglyceride (467.4 ± 8.2 to 56.6 ± 4.2 mg kg-1), and sphingolipids (11.4 ± 0.3 to 0.7 ± 0.2 mg kg-1), which extremely decreased the milk quality. Recoveries and relative standard deviations (RSDs) of the established method were 85.0-109.9 and 0.1-14.9%, respectively, indicating that the approach was credible. Protein-lipid interactions demonstrated that 10 proteins originating from fat globules were upregulated significantly and the activities of 7 enzymes related to lipid degradation were improved. Diacylglycerol cholinephosphotransferase was the only enzyme with decreased activity, and the molecular docking results indicated that PD adjusted its activity through regulating the conformation of the active center and weakening the hydrogen bond force between the enzyme and substrate. This study firstly revealed the mechanism of deposition and transformation of PD in milk, which contributed to the knowledge on the milk quality control and provided key indicators to evaluate the adverse risks of PD in dairy products.

Serum Adipocyte Fatty-Acid Binding Protein as an Independent Marker of Peripheral Artery Disease in Patients with Type-2 Diabetes Mellitus.

The adipocyte fatty-acid binding protein (A-FABP) is predominantly expressed in macrophages and adipocytes and is an essential mediator of inflammation and atherosclerosis pathogenesis. Atherosclerosis is an aggravating factor for peripheral arterial disease (PAD). Our study intended to study the association between PAD and serum A-FABP levels in type-2 diabetes mellitus (T2DM) patients. One hundred and twenty T2DM subjects were enrolled in the study. Fasting blood samples were collected to determine biochemical data and A-FABP levels. By the automatic oscillometric method, the ankle−brachial index (ABI) was measured. Low ABI was defined as any value < 0.9. Twenty participants with T2DM (16.7%) were included in the low ABI group. Low ABI T2DM participants had an increased mean body mass index, body fat mass, systolic blood pressure, C-reactive protein, urine albumin−creatinine ratio, and A-FABP levels compared to those in the normal ABI group. After variables significantly associated with PAD were adjusted by multivariate logistic regression analyses, circulating A-FABP levels (odds ratio [OR]: 1.138; 95 percent confidence interval [CI]: 1.023−1.266; p = 0.017) were identified as the independent marker of PAD. In conclusion, fasting serum A-FABP value has positive association with PAD in T2DM patients.

Pseudo-targeted metabolomics analysis of the therapeutic effect of phenolics-rich extract from Se-enriched green tea (Camellia sinensis) on LPS-stimulated murine macrophage (RAW264.7).

Selenium (Se)-enriched green tea (Se-Te) has been recognized as a possible source of Se supplements, while the effect of Se enrichment on function of polyphenols in green tea is still unclear. In this study, a pseudo-targeted metabolomics strategy was carried out to reveal the regulatory mechanism of polyphenols extracted from Se-Te and regular green tea (Re-Te) on inflammatory response at cellular level. A novel analysis strategy using UHPLC/ESI Q-Orbitrap combined with MS-IOP was applied to profile the dynamic changes of metabolites in LPS-stimulated RAW264.7 macrophages during polyphenols incubation. A total of 128 characteristic variables (VIP > 1, p < 0.05) were screened in Se-Te group and the results of bioinformatics analysis and quantitative research indicated that in addition to the 6 conventional immune protective pathways involved in tea polyphenols, Se-enriched polyphenols were also participated in 3 unique antioxidant enzyme activation pathways, including phenylalanine, tyrosine and tryptophan biosynthesis, phenylalanine metabolism and pantothenate and CoA biosynthesis. The result of weight calculation based on topological analysis indicated that the promoting synthesis of antioxidant enzymes was the main mechanism of Se-Te polyphenols to inhibit inflammation. However, compared with Re-Te group, the intracellular B vitamin pathway in Se-Te group was disturbed, which is related to the fact that Se supplementation can promote the synthesis of selenoprotein and catalyze the reduction of thioredoxin by NADPH, thus blocking the signaling pathways of B vitamins. This study comprehensively explored the immune protective mechanism of polyphenols extracted from Se-Te and Re-Te under natural growth conditions, which could give a better understanding of the potential nutritional value of Se-Te as a widely used Se supplement.

Echinacoside Alleviates Cognitive Impairment in Cerebral Ischemia Rats through α 7nAChR-Induced Autophagy.

OBJECTIVES: To evaluate the effect of echinacoside (ECH) on cognitive dysfunction in post cerebral stroke model rats. METHODS: The post stroke cognitive impairment rat model was created by occlusion of the transient middle cerebral artery (MCAO). The rats were randomly divided into 3 groups by a random number table: the sham group (sham operation), the MCAO group (received operation for focal cerebral ischemia), and the ECH group (received operation for focal cerebral ischemia and ECH 50 mg/kg per day), with 6 rats in each group. The infarct volume and spatial learning were evaluated by triphenyl tetrazolium chloride staining and Morris water maze. The expression of α7nAChR in the hippocampus was detected by immunohistochemistry. The contents of acetylcholine (ACh), malondialdehyde (MDA), glutathione (GSH), superoxide dismutase (SOD), activities of choline acetyltransferase (ChAT), acetylcholinesterase (AChE), and catalase (CAT) were evaluated by enzyme linked immunosorbent assay. The neural apoptosis and autophagy were determined by TUNEL staining and LC3 staining, respectively. RESULTS: ECH significantly lessened the brain infarct volume and ameliorated neurological deficit in infarct volume and water content (both P<0.01). Compared with MCAO rats, administration of ECH revealed shorter escape latency and long retention time at 7, 14 and 28 days (all P<0.01), increased the α7nAChR protein expression, ACh content, and ChAT activity, and decreased AChE activity in MCAO rats (all P<0.01). ECH significantly decreased MDA content and increased the GSH content, SOD, and CAT activities compared with MCAO rats (all P<0.05). ECH suppressed neuronal apoptosis by reducing TUNEL-positive cells and also enhanced autophagy in MCAO rats (all P<0.01). CONCLUSION: ECH treatment helped improve cognitive impairment by attenuating neurological damage and enhancing autophagy in MCAO rats.

Effects of Short-Chain Peptides on the Flavor Profile of Baijiu by the Density Functional Theory: Peptidomics, Sensomics, Flavor Reconstitution, and Sensory Evaluation.

The effect of peptides on the flavor profile of Baijiu is unclear as a result of their trace concentrations in the complex matrix, and therefore, the study involving the interaction mechanism between peptides and flavor compounds is limited. In this study, short-chain peptides (amino acid number between 2 and 4, SCPs) associated with the Feng-flavor Baijiu (FFB) were comprehensively analyzed by a dedicated workflow using ultra-high-performance liquid chromatography Q Orbitrap high-resolution mass spectrometry, flavor reconstitution experiments, sensory analysis, and density functional theory (DFT) analysis. The concentrations of 96 SCPs intimately related with six different grades of honey aroma intensity in FFB were quantified (0.12-155.01 µg L-1) after multivariable analysis, Spearman's correlation analysis (ρ ≥ 0.7), and confirmation with synthetic standards, and 32 dominant odorants with an odor activity value of ≥1 in FFB with the highest intensity of honey aroma were quantified by gas chromatography-mass spectrometry and gas chromatography-flame ionization detection analyses. The results of flavor reconstitution experiments and sensory analysis indicated that the SCPs can obviously influence the honey aroma with amplifying the fruity, sweet, and flora flavor odor characters (p < 0.05) while significantly reducing the acidic character (p < 0.001), which could be attributed to the most stable complex structure between SCPs and odor-active compounds calculated by DFT being butanoic acid, followed by ß-damascenone, 3-methylbutanal, and ethyl hexanoate, and the multiple sites as a hydrogen bond donor or acceptor in SCPs can form a stable ternary structure with water and ethanol inside the peptide chain or carboxyl terminal of SCPs, consequently improving the stability of the Baijiu system. The results highlighted the important role of SCPs on the volatiles in Baijiu and laid the foundation for further facilitating the sensory quality of Baijiu products.

Discovery of Se-containing flavone in Se-enriched green tea and the potential application value in the immune regulation.

Selenium (Se)-enriched green tea has been recognized as a possible source of supplemental Se, while the structural and physiological activities of Se-containing flavone are still unclear. In this study, a Se-containing flavone was isolated from Se-enriched green tea by high-speed counter-current chromatography (HSCCC) and characterized through UHPLC-Q-Orbitrap, FT-IR and NMR. Results proved that HSeO3- can be combined with the alcohol hydroxyl of 2-phenylchromone in flavone and the content of Se-containing flavone in tea was 15690.4 µg L-1. Additionally, Se-containing flavone can effectively inhibit the production of nitric oxide (NO), and downregulate expression of TNF-α and IL-6. Compared with regular flavone extracted from green tea (43.24 pg mL-1), release of IL-10 was higher in Se-containing flavone group (53.37 pg mL-1), indicating that Se-containing flavone played an important role in the process of severe inflammatory injury. The results indicated that Se-containing flavone was an attractive natural ingredient for developing novel functional foods.

Novel top-down high-resolution mass spectrometry-based metabolomics and lipidomics reveal molecular change mechanism in A2 milk after CSN2 gene mutation.

The effects of milk containing only native A2 beta casein (A2 milk) on amelioration of gut tolerance are widely studied by clinical in vivo trials. However, the molecular change mechanism after CSN2 gene mutation and other potential health benefits in A2 milk remain unknown. The glycerophospholipid metabolism, sphingolipid metabolism, glycerolipid metabolism, phosphatidylinositol signaling system and glycosylphosphatidylinositol (GPI)-anchor biosynthesis were considered as significant metabolic pathways intimately related with the mutation of CSN2 gene by integrating metabolomics and lipidomics and the corresponding molecular mechanism was summarized. The contents of lactose, triacylglycerol and most polar lipids significantly decreased after CSN2 gene mutation by utilizing UHPLC-Q-Orbitrap HRMS (LOQs, 0.0004-0.0215 µg/mL) combined with multivariate analysis, furthermore, the essential fatty acids α-linolenic acid (1015.22 to 543.14 µg/mL) and arachidonic acid were significantly down regulated although eicosapentaenoic acid was relatively upregulated, which provided a novel perspective to understand the nutritional value and health benefits of A2 milk.

Novel insight into the transformation of peptides and potential benefits in brown fermented goat milk by mesoporous magnetic dispersive solid phase extraction-based peptidomics.

Brown fermented goat milk as an excellent source of bioactive peptides has only been partially elucidated. Meticulously synthesized MOF@MG as magnetic sorbent for enriching endogenous peptides owned higher reproducibility and uniform distribution of peptides PI compared with ultrafiltration. Combined with UHPLC-Q-Orbitrap, fermentation for 12 h in brown goat milk with the highest overall acceptable degree through sensory evaluation was utilized to explore the transformation of peptides and health benefits, with trypsin or plasmin hydrolyzing proteins and aminopeptidase or carboxypeptidase hydrolyzing peptides to small peptides or amino acids. A total of 1317 peptides were identified by database matching (1259) and de novo sequencing (58), among 18 peptides could originate from gene-independent enzymatic formation and top 25 characteristic peptides were quantified with concentration ranging from 0.12 to 6.40 mg L-1. Bioinformatic analysis results indicated that brown fermented goat milk possesses higher health benefits because of more than 50 peptides with potential bioactivity.