Exploring the mechanism of daphne-type diterpenes against gastric cancer cells.

Gastric cancer is one of the common malignant tumors. It is reported that daphne-type diterpenes have inhibitory effects on gastric cancer cells, but the mechanism is still unknown. To explore the detailed mechanism of the anticancer effect of daphne-type diterpenes, we carried out an integrated network pharmacology prediction study and selected an effective component (yuanhuacine, YHC) for the following validation in silico and in vitro. The result showed that daphne-type diterpenes exerted an anti-tumor effect by targeting proto-oncogene tyrosine-protein kinase SRC as well as regulating the Ras/MAPK signaling pathway, which caused the apoptosis and mitochondrial damage in gastric cancer cells.

Effect of different thermal processing methods on sensory, nutritional, physicochemical and structural properties of Penaeus vannamei.

The aim of this study was to investigate the effect of different thermal processing methods on the nutritional and physicochemical qualities of Penaeus vannamei. Three different thermal processing methods, namely, drying (DS, 120 °C/40 min), steaming (SS, 100 °C/2 min), and microwaving (MS, 600 W/2 min) were used to treat the shrimps. Low-field nuclear magnetic resonance data indicated that fixed water was the main component of Penaeus vannamei. The ratio of fatty acids in MS and DS samples was more in line with the FAO/WHO recommended health requirements; The myofibrillar protein carbonyl group increased, whereas sulfhydryl content decreased after thermal processing, indicating that the proteins were oxidized by thermal processing. The magnitude of oxidation is: MS > SS > DS. Different thermal processing methods can exert great influence on color texture and nutrition to Penaeus vannamei, which can provide a theoretical knowledge for consumers to choose the appropriate processing method.

Four Pairs of Neuroprotective Aryldihydronaphthalene-Type Lignanamide Enantiomers from the Herbs of Solanum lyratum.

Four pairs of aryldihydronaphthalene-type lignanamide enantiomers were isolated from Solanum lyratum (Solanaceae). The enantiomeric separation was accomplished by chiral-phase HPLC, and five undescribed compounds were elucidated. Analysis by various spectroscopy and ECD calculations, the structures of undescribed compounds were illuminated. The neuroprotective effects of all compounds were evaluated using H2 O2 -induced human neuroblastoma SH-SY5Y cells and AchE inhibition activity. Among them, compound 4 a exhibited remarkable neuroprotective effects at high concentrations of 25 and 50 µmol/L comparable to Trolox. Compound 1 a showed the highest AchE inhibition with the IC50 value of 3.06±2.40 µmol/L. Molecular docking of the three active compounds was performed and the linkage between the compounds and the active site of AchE was elucidated.

Cold shock precooling improves the firmness of chili pepper during postharvest storage and the molecular mechanisms related to pectin.

This research was conducted to explore the influence of cold shock on the firmness, a quality marker in chili pepper during 0-21 d storage and determine mechanism by cold shock impacted pectin. Chili peppers were exposed to cold shock precooling (0 ± 2 °C water/ice mixture) for 0-, 30-, 90- and 150-min, respectively. Results showed that cold shock alleviated loss of firmness throughout storage. Firmness was positively associated with sodium carbonate-soluble pectin content (r = 0.44), methylation degree of CDTA-soluble pectin (r = 0.82) and water-soluble pectin (WSP, r = 0.87), but negatively associated with WSP content (r = -0.76), and the activities of ß-galactosidase (r = -0.72) and pectinlyase (r = -0.74). Cold shock for 90 min was determined to be optimal. This study confirms the applicability of cold shock precooling to maintain firmness and thereby to extend the shelf life of chili pepper.

Enhanced Hypoglycemic Bioactivity via RAS/Raf-1/MEK/ERK Signaling Pathway by Combining Capsaicin and QUERCETIN from Chili Peppers.

SCOPE: This research work is designed and conducted to explore the joint effect of capsaicin and quercetin and the potential mechanism for the regulation of hyperglycemia. METHODS AND RESULTS: Insulin-resistance HepG2 cell model and high-fat diet combined with streptozotocin-induced type 2 diabetes mouse model are applied for the investigation. The results illustrate that capsaicin and quercetin can exert hypoglycemic effects via reducing the concentrations of serum lipids of total cholesterol, triglyceride and low-density lipoprotein cholesterol, decreasing hepatic enzyme activities of phosphoenolpyruvate, carboxykinase, and glucose-6-phosphatase, as well as improving the histopathological morphology of liver and pancreas tissues. After administration with capsaicin and quercetin, the relative protein expression abundance of Ras, Raf-1, MEK1/2, and ERK1/2 is obviously attenuated compared to diabetic mice. Capsaicin and quercetin at a ratio of 3:1 are generally determined as the optimal combination. CONCLUSION: Capsaicin and quercetin present in the chili pepper fruit can act in a synergistic way to alleviate hyperglycemia. This study provides supporting data for the discovery of novel anti-diabetic components and for the valorization of chili pepper industry.

The interaction mechanism, conformational changes and computational simulation of the interaction between surface layer protein and mannan at different pH levels.

The aim of this study was to explore the interaction mechanism between surface layer protein (SLP) and mannan at pH 3.0, 5.0 and 7.0 through multi-spectral methods combined with computer simulations. The fluorescence quenching data showed that SLP and mannan bound spontaneously to form complexes at all pH levels. In addition, molecular docking revealed that SLP had different binding sites to mannan at different pH, which mainly depended on hydrogen bonds and hydrophobic interactions. Molecular dynamics simulation results showed that the combination with mannan contributed to the stability of SLP structure. This study confirmed that the combination of SLP and mannan at pH 5.0 has higher binding affinity and more stable structure. The mechanism proposed in this study provides understanding underlying the interactions between SLP and mannan and insights for further exploration of the potential of SLP as a mannan transport carrier in fermented dairy products similar to TKM.

Non-suicidal self-injury in adolescents with mood disorders and the roles of self-compassion and emotional regulation.

Objective: We aimed to investigate the characteristics and psychological mechanism of non-suicidal self-injury (NSSI) in adolescents with mood disorders. We examined how self-compassion and emotional regulation affected NSSI and tested the mediating role of self-compassion in the link between emotional regulation and NSSI. Method: We recruited outpatient and inpatient adolescent patients with bipolar and related disorders or depressive disorders (DSM-5), with a focus on NSSI. We also recruited healthy controls from the community. We collected demographic and clinical data. The Adolescent Self-injury Questionnaire, Self-compassion Scale (SCS), and Emotion Regulation Questionnaire (ERQ) were used to assess the frequency and severity of NSSI, level of self-compassion, and emotional regulation. Results: In total, we recruited 248 adolescent patients with mood disorders (N = 196 with NSSI, and 52 without NSSI) and 212 healthy controls. NSSI was significantly associated with the female sex, lower levels of education and less use of cognitive reappraisal strategies, lower levels of self-warmth, and higher levels of self-coldness. Multivariate analysis of variance showed that there were significant differences in the scores of ERQ, cognitive reassessment score, and the scores of SCS among the three groups, but no statistical differences in expressive suppression score among the three groups. Self-warmth had a mediating effect between cognitive reappraisal and NSSI behavior. Conclusion: NSSI is prevalent among adolescent patients with mood disorders in clinical settings, especially among girls and those with lower levels of education and less cognitive reappraisal strategies. More clinical attention is needed. Self-compassion and its factors may mediate the association between emotional regulation and NSSI. Clinical implications and future research directions were discussed.

Characterization and discrimination of two varieties of eggplants using multi-element and metabolomics profiles coupled with chemometrics analysis.

The main purpose of the present study was to clarify the differences present in the multi-element and metabolite profiles between two varieties of eggplants. A total of 54 elements were identified by inductively coupled plasma mass spectrometry, 16 elements were significantly different between peel (n = 3) and flesh (n = 3). Besides, untargeted metabolomics combined with chemometrics was used to discriminate the peel (n = 4) and flesh (n = 4) of the two varieties of eggplants. A total of 178 metabolites were screened out with criteria of p < 0.05, fold change > 1.5 or < 0.67 and variable importance in projection score > 1 for the PLS-DA model. Maltitol and d-proline were the most important discriminants of the two varieties of eggplants. Kaempferol-3-O-rutinoside was the most important identification components between peel and flesh of the two varieties of eggplant. Results showed that the two varieties of eggplants could be distinguished based on their multi-element and metabolite profiles, which may provide new directions for eggplant function research.

Synthesis and antidepressant activity of novel 1-(1-benzoylpiperidin-4-yl) methanamine derivatives selectively targeting SSRI/5-HT1A.

A series of novel 1-(1-benzoylpiperidin-4-yl) methanamine derivatives were synthesized and evaluated for the serotonin reuptake inhibitory abilities and binding affinities to the 5-HT1A receptor. The metabolic stabilities of these compounds were measured in vitro using human or mouse liver microsomes and the antidepressant activities were explored In vivo using the forced swimming test (FST) and tail suspension test (TST) in mice. The results indicated that the compound 12a exhibited strongest serotonin reuptake inhibition (IC50 = 8.2 nM) and marked 5-HT1A receptor affinity (Ki = 0.069 nM), which were significantly superior to lead compounds Ⅰ and Ⅱ. Meanwhile, compound 12a showed good metabolic stability in vitro and exhibited potential antidepressant-like effects in the FST and TST in mice.

Target isolation of cytotoxic diterpenoid esters and orthoesters from Daphne tangutica maxim based on molecular networking.

Guiding by LC-MS/MS analysis and the GNPS Molecular Networking, five undescribed daphnane diterpenoids, tanguticanines A-E, and eleven known analogues were discovered from the whole plants of Daphne tangutica Maxim. Their structures and absolute configurations were determined via extensive NMR spectroscopic analysis, ECD calculations, and X-ray diffraction crystallography. Tanguticanine E (5) exhibited promising cytotoxicity against the HepG2 cell line with an IC50 value of 9.93 ± 0.10 µM. Further flow cytometry experiment was performed to detect cell apoptosis, and the results indicated that cytotoxic diterpenoids (tanguticanines B, D and E, altadaphnan C, gniditrin, hirsein A and simplexin) exert their effects through induction of apoptosis.

Authentication of the geographical origin of sesame seeds based on proximate composition, multi-element and volatile fingerprinting combined with chemometrics.

The current study was designed to discriminate and authenticate sesame seeds cultivated in China, Togo, Sudan, Mozambique and Ethiopia. Fingerprinting analysis combined with chemometrics was applied to clarify the differences present in the chemical elements and volatiles of sesame seeds. Clear separations were observed among different groups of sesame seeds. Discrimination models were established with 100 % correction rate for the authentication of investigated sesame seeds. A panel of 14 chemical elements and 12 volatile compounds with p value < 0.05 and VIP score > 1 was suggested as important contributors for the discrimination of sesame seeds from China, Togo, Sudan, Mozambique and Ethiopia. In conclusion, our data demonstrate that chemical analysis together with chemometrics is of great applicability to authenticate the geographical origins of sesame seeds.

Discrimination of Black and White Sesame Seeds Based on Targeted and Non-Targeted Platforms with Chemometrics: From Profiling towards Identification of Chemical Markers.

The present study was conducted to clarify the differences in the multi-element, volatile organic compound, fatty acid, and metabolite fingerprints between black and white sesame seeds. A total of 53 chemical elements, 32 volatile flavor compounds, 40 fatty acids, and 283 metabolites were identified and evaluated in the two groups of sesame seeds. Univariate and multivariate statistics indicated a distinct separation between the two groups of sesame seeds. A panel of 16 chemical elements, 3 volatile compounds, 8 individual fatty acids, and 54 metabolites with p value < 0.05 and variable importance in projection score > 1 were selected as the most important discriminants for the two types of sesame seeds. Overall, these data reveal the influence of genotype on the chemical composition of sesame seeds. Our findings also demonstrate that the hybrid model of instrumental analysis and chemometrics is feasible for the discrimination of black and white sesame seeds.

Effect of Cold Shock Pretreatment Combined with Perforation-Mediated Passive Modified Atmosphere Packaging on Storage Quality of Cucumbers.

This study evaluated the application of cold shock combined with perforation-mediated passive modified atmosphere packaging technology (CS-PMAP) for cucumber preservation through physicochemical, sensory, and nutritional qualities. The effectiveness of CS-PMAP in maintaining the quality of fresh cucumbers was studied; cucumbers were pretreated with cold shock and then packed into perforated polyethylene bags (bag size of 20 × 30 cm; film thickness of 0.07 mm; and two holes in each bag with a diameter of 6 mm), while the cucumbers without cold shock were considered as the control. Storage of the samples was performed at (13 ± 2) °C for 20 days to determine the quality changes in terms of gas composition, weight loss, skin color, texture, total soluble solids (TSS), ascorbic acid, malondialdehyde (MDA), and volatile organic compounds (VOCs). The CS-PMAP showed a significant improvement in maintaining firmness, TSS, ascorbic acid, and flavor profile of cucumbers; the control samples without cold shock showed higher weight loss and MDA levels. Results of this study confirmed that CS-PMAP has potential use in the storage of cucumbers.

Variations in the physicochemical properties and bacterial community composition during fermentation of low-salt shrimp paste.

The main purpose of the present study was to investigate the influence of two fermentation temperatures (10 °C and 20 °C) on the physicochemical properties and bacterial community composition of the low-salt shrimp paste. The physicochemical properties pH values, total volatile basic nitrogen (TVBN), amino acid nitrogen (AAN) and biogenic amines (BAs) of low-salt shrimp paste were analyzed and compared. The bacterial community composition was analyzed by high-throughput sequencing technology. Results indicate that the pH value fluctuated between 8.50 and 7.95, and the AAN, TVBN and total BAs levels of low-salt shrimp paste increased gradually after fermentation started, but the AAN content fluctuated steadily after 12 w. The contents of TVBN and total BAs in shrimp paste fermented at 10 °C were lower than those at 20 °C. Thus, the appropriate fermentation temperature and period were 10 °C and 12 w, respectively. Carnobacteriaceae and Staphylococaceae were the predominant family for the fermented shrimp paste. At the genus level, Alkalibacterium was predominantly present at 8 wk (96.36%), while Staphylococcus became the predominant one at 20 wk (58.71%). Correlation analysis shows that Alkalibacterium was positively associated with tyramine (R2 = 0.59), and Staphylococcus and Tetragenococcus were positively associated with AAN and TVBN. These findings are used to facilitate the quality control and improvement of low-salt shrimp paste production process in the future.

Guided isolation of daphnane-type diterpenes from Daphne genkwa by molecular network strategies.

A molecular networking-guided study on the Daphne genkwa Sieb. et Zucc led to the isolation of twelve daphnane-type diterpenoids including four undescribed compounds, yuanhuakines A-D. Their structures were elucidated by spectroscopic analyses, ECD calculations, and single-crystal X-ray diffraction analysis. All isolates were evaluated for their inhibitory activity against the A549, Hep3B, and MCF-7 cell lines. The majority of compounds inhibited A549 cells with IC50 values ranging from 7.77 to 20.56 µM, and their structure-activity relationship is preliminarily discussed. Five of these compounds were selected for further experiments, and they appear to inhibit A549 cell lines by inducing apoptosis.

Three cases of hepatic epithelioid hemangioendothelioma evaluated using conventional and contrast-enhanced ultrasound: Case reports.

Hepatic epithelioid hemangioendothelioma (HEHE) is a very rare vascular endothelial cell tumor, which lacks typical clinical manifestations and specificity of imaging features. Whether the background of fatty liver and the difference in Contrast enhanced ultrasound (CEUS) characteristics between large and small lesions has not been well defined. In this case reports, we described the ultrasound image features of three patients with HEHE. These three patients with HEHE have certain similar characteristics of conventional ultrasound and CEUS. CEUS imaging features include large nodules show earlier perfusion than liver parenchyma, with rim-enhancement, nonenhancing regions in the center, while small nodules show earlier perfusion than liver parenchyma, with hyperenhancement. All nodules show faster washout than hepatic parenchyma, showing heterogeneous hypoenhancement, and more washout lesions can be found in the PVP and LP. Conventional ultrasound and CEUS not only help to improve the diagnostic confidence of HEHE of rare liver tumors, but also can guide the biopsy area, making it easier to make accurate pathological diagnosis.

Effect of different fertilizers on the physicochemical properties, chemical element and volatile composition of cucumbers.

The main purpose of the present study was to investigate the effect of different fertilizers on the physicochemical properties, multi-element and volatile composition of cucumbers. All samples were divided into five groups according to different combinations and amounts of chicken manure, NPK 17-17-17 fertilizer and microbial fertilizer. The co-application of chicken manure (120,000 kg/ha) and NPK 17-17-17 fertilizer (750 kg/ha) achieved the best texture properties, whereas the addition of the microbial fertilizer at 6000 kg/ha significantly improved the color quality of cucumbers. Similarly, the co-application of chicken manure, NPK 17-17-17 fertilizer and microbial fertilizer at 6000 kg/ha enhanced the number and abundance of volatile components detected in the cucumbers. Cucumbers from the control group contained the highest levels of most of the determined elements. Overall, a combination of chicken manure, NPK 17-17-17 fertilizer and 6000 kg/ha microbial fertilizer is recommended as a relatively efficient fertilizer utilization for cucumbers.

Integrated network pharmacology and cellular assay for the investigation of an anti-obesity effect of 6-shogaol.

This study explored the anti-obesity effect of 6-shogaol and the underlying mechanisms by using Network pharmacology for the prediction and verification of molecular targets and pathways of 6-shogaol against obesity. Furthermore, the results were verified by molecular docking and cell experiments. A total of 86 core targets of 6-shogaol towards obesity were identified. Among them, AKT1 and PIK3CA were confirmed by using the molecular docking. In 3T3-L1 preadipocyte model, 6-shogaol significantly inhibited proliferation and differentiation, reducing the accumulation of lipid droplets. Compared with the control group, the inhibition rates of 6-shogaol on TG and TC were 90.8% and 40.0%, respectively. Additionally, 6-shogaol down-regulated the expression of PPAR-γ and C/EBP-α, while it decreased the phosphorylation of IRS-1, PI3K and AKT. This study, for the first time, confirmed the effect of 6-shogaol on improving obesity through PI3K/AKT pathway. An anti-obesity bioactivity study was further recommended for the development of novel anti-obesity products.

Effect of different genotypes on the fruit volatile profiles, flavonoid composition and antioxidant activities of chilli peppers.

The main purpose of the present study was toinvestigate the influence of genotypes on the volatile, flavonoid-related compounds and antioxidant capacities of chilli peppers. A set of 49 volatiles were identified in the chilli peppers using gas chromatography-ion mobility spectrometry (GC-IMS). The flavonoid-related profiles were established by the simultaneous LC-MS measurement of 38 compounds. The results of chemometrics analysis reveal that Jize and Korean chilli peppers can be distinctly separated from each other. A panel of 18 volatile and 13 flavonoid-related variables with VIP > 1 and p < 0.05 were determined as the discriminants for Jize and Korean chilli peppers. Moreover, Korean chilli peppers showed significantly (p < 0.05) higher antioxidant activity than Jize chilli peppers. A clear and positive correlation was observed between the antioxidant potential and individual flavonoid compounds. The current findings could facilitate the valorization of chilli peppers as bioactive and functional ingredients at various commercial levels.

Tibet Kefir Milk Regulated Metabolic Changes Induced by High-Fat Diet via Amino Acids, Bile Acids, and Equol Metabolism in Human-Microbiota-Associated Rats.

This study aimed to confirm the effects of Tibet kefir milk (TKM) on gut microbiota and metabolism. An obesity model was established by feeding a high-fat diet (HFD) to human-microbiota-associated rats. Next-generation sequencing and ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry were applied for gut microbiota and untargeted metabolomics, respectively. After 8 weeks of feeding, the enterotype in the HFD group was switched from ET1 (Prevotella/Akkermansia-dominant) to ET2 (Bacteroides/Akkermansia-dominant). Branched-chain amino-acids- and aromatic amino-acids-metabolism increased, and taurine-conjugated bile acids decreased in the HFD group. Compared with the HFD group, taurocholic acid increased in the TKM1 group, while l-threonine decreased, and equol, taurochenodeoxycholate, and taurodeoxycholic acid increased in the TKM2 group. The metabolite alteration suggested restorative bile acid metabolism, modified metabolic pattern of amino acids, and elevation of anti-obesity factors in the TKM-intervened animals. It can be deduced that changes by TKM intervention in the host gut metabolites are the major contributors to reducing fat deposition.