Food and Bioprocess Technology
·
2025
·Vol. 19
·期 1
·13
·
IF 5.8
Bao Nina,Li Meng,Chen Ziyang,Zhou Wan,Rashed Marwan M. A.,Han Fangkai,Zhai Kefeng,Jiang Bianling
Pomegranate peel (PoP) is a valuable by-product rich in phenolic compounds with strong antioxidant potential. This study applied mechanochemical-assisted extraction (MCAE) to recover phenolics efficiently from PoP using eight solid reagents. The extraction parameters were optimized through response surface methodology based on a central composite design. Ultra-performance liquid chromatography coupled with triple time-of-flight mass spectrometry (UPLC-Triple-TOF/MS) tentatively identified twelve major phytochemicals. These phytochemicals include hydrolysable tannins, flavonoids, and phenolic acids. The optimal MCAE conditions were a liquid–solid ratio of 50 mL/g, an extraction temperature of 78 °C, and an extraction time of 67 min. Under these conditions, a total of 12 phytochemicals were identified and the total phenolic content reached 258.09 ± 1.35 mg GAE/g dry weight. The extract exhibited high antioxidant capacity (DPPH of 526.54 ± 13.38 μmol TE/g DW, ABTS of 1315.65 ± 15.16 μmol TE/g DW, FRAP of 798.57 ± 11.30 μmol TE/g DW, and RA of 1353.87 ± 23.43 μmol TE/g DW) and strong inhibitory activity against α-glucosidase and α-amylase. These results demonstrate that MCAE represents an eco-friendly and cost-effective technique for recovering bioactive phenolic compounds from PoP, offering promising applications as natural antioxidants and enzyme inhibitors in functional food formulations, providing new opportunities for the food industries. These findings provide a new strategy for valorizing agricultural by-products into functional ingredients for food applications.
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
·
2021
·
IF 6.291
Junji Wu,Yanpeng Gao,Yaxin Qin,Guiying Li,Taicheng An
Recently, fragrance ingredients have attracted increasing attention due to their imperceptible risks accompanying the comfortable feeling. To understand transformation mechanisms and toxicity evolution of benzyl formate (BF) in environment, its photochemical degradation in water was thoroughly studied herein. Results showed that 83.5% BF was degraded under ultraviolet (UV) irradiation for 30 min. Laser flash photolysis and quenching experiments demonstrated that triplet excited state ( 3 BF*), O 2 •− , and 1 O 2 were three main reactive species found during BF photodegradation. Eight degradation intermediates, including benzaldehyde, benzyl alcohol, o-cresol, bibenzyl, benzyl ether, 1,2-diphenylethanol, benzoic acid, and benzylhemiformal, were mainly formed as identified by LC-Q-TOF/MS and GC-MS analyses. Furthermore, the degradation mechanism was explained as the bond cleavage of 3 BF* and BF •+ , O 2 •− / 1 O 2 oxidation, e aq − reduction, and • OH addition reactions. Aquatic assessment suggests that except benzyl alcohol, benzoic acid, and benzylhemiformal, all the products were persistent and could result in increased aquatic toxicity compared to original BF. Consequently, these degradation products may cause more toxicity to organisms if they remain accumulated in water environment for a long time.
研究领域:
环境化学
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毒理学
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分析化学
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PubMed
高影响因子
PHYTOMEDICINE
·
2024
·
IF 6.7
Wenxin Xia,Yushu Wang,Jiahui Yue,Xueyan Fu
Background Honey-fried Licorice (HFL) is a dosage form of Glycyrrhizae Radix et Rhizome processed with honey, which has been recorded to exhibit better efficacy in tonifying the spleen compared to the raw product. In contrast, different processing methods of Glycyrrhizae Radix et Rhizome exhibit different efficacies and applications, but their current quality control index components remain consistent. Purpose Based on the discovery and research strategy of traditional Chinese medicine decoction piece quality marker (Q-marker), this study aimed to conduct a multidimensional integration of constituents absorbed into the body and metabolomics based on the tonifying spleen and stomach effects of HFL to effectively identify the Q-marker of HFL. Methods In this study, a spleen deficiency rat model was established using the "exhausted swimming + poor diet" method to investigate the pharmacodynamics of tonifying the spleen and stomach by HFL. The constituents absorbed into blood was conducted using UPLC-Q-TOF/MS, correlation analysis between metabolomics and constituents absorbed into blood recognized the Q-Marker of HFL. Results The pharmacodynamic data demonstrated that HFL exhibited a significant regulatory effect on the disordered levels of PP, trypsin, chymase, PL, α-Glu, MTL, GAS, VIP, IL-2, IFN-γ, and IgA in the spleen deficiency model. Furthermore, HFL was found to improve the pathological changes in the spleen and intestine in the spleen deficiency model, highlighting its significant "tonifying spleen and stomach" effect. In the serum containing HFL, a total of 17 constituents were identified as being absorbed into the blood. Among these, 11 were prototypical components, while 6 were metabolites. Metabolomics data revealed that 9 differentially expressed metabolic markers were observed. Furthermore, the analysis of endogenous metabolic markers indicated that 10 components exhibited significant correlations with these biomarkers. Conclusion The effect of "tonifying spleen and stomach" of HFL is closely related to the regulation of the material and energy metabolism pathway. The Q-Marker of HFL is glycyrrhizic acid and 18 β -glycyrrhetinic acid as the main control standards and liquiritin, isoliquiritin, liquiritin, isoliquiritin, isolicorice flavonol, licorice chalcone C and Formononetin were used as auxiliary standards.
研究领域:
中药学
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药理学
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代谢组学
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药学
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PubMed
高影响因子
ACS Catalysis
·
2021
·
IF 13.084
Boyang Liu,Yu Wang,Ning Huang,Xiaocheng Lan,Tiefeng Wang
The development of a highly active heterogeneous catalyst for styrene hydroformylation is a major challenge, and we previously found that Rh2P was a good candidate. By doping a second metal of Co, we further improved the activity by 1.7 times, and the highest TOF reached 2563 h–1 on Rh7Co1P4/SiO2. The addition of Co tuned the electronic environment of surface Rh atoms without changing the crystal structure, and the reaction activity showed a volcano relationship with the Co ratio. DFT calculations showed that Co doping decreased the overall activation energy of surface reactions and destabilized H2 adsorption simultaneously. When x ≤ 2 for Rh8–xCoxP4/SiO2 catalysts, surface Rh atoms had positive valence and H2 adsorption was exothermic. Therefore, the hydroformylation rate was mainly determined by surface reaction with a first order of styrene concentration. When x > 2, however, surface Rh atoms were negatively charged and H2 adsorption became thermodynamically unfavorable. The reaction activity was then determined by H2 adsorption and was independent of styrene concentration. We introduced δE, which was the sum of overall activation energy and H2 coadsorption energy with styrene, to predict activity. Moderate addition of Co decreased the value of δE and promoted the activity, while excessive doping would increase δE.
研究领域:
化学工程
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催化
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材料科学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2023
·
IF 3.4
Yu Yang,Zhe Chen,Guangli Yan,Ling Kong,Le Yang,Hui Sun,Ying Han,Jie Zhang,Xijun Wang
Insomnia is an accompanying symptom of many diseases and is closely associated with neurodegenerative diseases. Naoling Pian (NLP) is a patented Chinese medicine mainly used to treat insomnia. To evaluate the sedative and hypnotic effects of NLP and its modulatory effects on biological metabolites and metabolic pathways, rats with p-chlorophenylalanine (PCPA)-induced insomnia were given different doses of NLP by oral gavage for seven days. Diazepam (DZP) served as a positive control. Behavior was measured using the open field test, and neurotransmitter levels in the brain tissue related to sleep were measured using ELISA. The metabolic profiles and biomarkers of PCPA-induced insomnia in rats before and after NLP administration were analyzed using UPLC-Q/TOF-MS combined with multivariate data analysis. The results showed that the levels of 5-hydroxytryptamine, gamma-aminobutyric acid, norepinephrine, and dopamine in the brain tissue were significantly recovered in the NLP treatment groups, demonstrating similar or even superior therapeutic effects compared to the DZP group. The behavior of the PCPA-model rats partially recovered to normal levels after seven days of treatment. Metabolomics identified 30 metabolites in the urine as potential biomarkers of insomnia, and NLP significantly altered 25 of these, involving 21 metabolic pathways. NLP has a remarkable effect on insomnia, the therapeutic effects of which may be largely due to the rectification of metabolic disturbances. This is the first study of the sedative and hypnotic effects of NLP from a metabolomic perspective.
研究领域:
药理学
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神经科学
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代谢组学
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中医
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PubMed
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Jiabao Chen,Xiufang Wang,Xiaodong Xin,Yuguang Zheng,Fangjie Hou,Chunhua Li,Long Guo,Lei Wang
Perillae Folium (PF), the leaf of Perilla frutescens (L.) Britt is extensively used as culinary vegetable and medicinal herb in many countries. Purple PF ( P. frutescens var. arguta ) and green PF ( P. frutescens var. frutescens ) are two of the main varieties. In this study, UHPLC-Q-TOF/MS assisted with feature-based molecular networking (FBMN) was applied for chemical characterization. In total, 82 metabolites, mainly phenolic acid derivatives were identified from PF. With the help of FBMN, five organic acid glucosides together with three N -phenylpropenoyl-L-amino acids (NPAs) were identified in PF using FBMN for the first time. Multivariate statistical methods were utilized for comprehensive comparison of purple and green PF profiles. 12 compounds with their relative contents varied significantly between purple and green PF were screened out. Overall, the present study offers valuable insights for chemical elucidation of PF which would be helpful for comprehensive utilization of a PF resource.
研究领域:
药用植物学
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分析化学
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植物科学
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PubMed
高影响因子
CORROSION SCIENCE
·
2025
·
IF 8.5
Z.N. Jiang,J.M. Duan,S.Y. Tian,R.Y. Xue,C.F. Dong,G.A. Zhang
A green corrosion inhibitor, (2 E , 4 E )-2-cyano-5-phenyl-2,4-pentadienoic acid (CPPA), was synthesized via one-step modification of cinnamaldehyde. CPPA exhibits outstanding inhibition effect for mild steel (MS) in HCl medium with an inhibition efficiency of 98.83 % at a concentration of 0.6 mM with good inhibition stability. The inhibition mechanism of CPPA was elucidated by combining surface characterization techniques with ab initio molecular dynamics (AIMD) simulations. XPS and ToF-SIMS analyses indicate that CPPA molecules could adsorb on MS surface by covalent bonding through N, C, and O atoms. AIMD simulations reveal that CPPA approaches to steel surface motivated by van der Waals force, i.e., physisorption occurs. Subsequently, the physisorption of CPPA is transformed into a strong and stable chemisorption, which was demonstrated by IGMH, CPPA-Fe bond length, electron density difference and PDOS characteristics. The adsorbed CPPA film significantly improves the hydrophobicity of MS surface, and acts as a shield to effectively hinder the diffusion and access of corrosive particles to steel surface, thus exhibiting outstanding and stable corrosion inhibition performance.
研究领域:
材料科学
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腐蚀工程
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表面化学
·
计算化学
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高影响因子
Arabian Journal of Chemistry
·
2024
·
IF 5.3
Dong Xie,Guangfu Lv,Yuchen Wang,Wenjing Zhang,Nian Li,Yao Duan,Qing Huang,Ge Chen,Zifeng Pi,Hao Yue
Tenghuang Jiangu Wan (THJGW) is a commonly utilized treatment for osteoarthritis (OA), yet its pharmacodynamic material basis and molecular mechanism remain inadequately understood. This study systematically characterized the in vitro and in vivo chemical components of THJGW using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). The pharmacodynamic material basis of THJGW in the treatment of OA was explored through a target network pharmacology approach and molecular docking technology. Cellular experiments were subsequently employed to validate the molecular mechanisms. Consequently, a total of 134 components from THJGW were identified in vitro , comprising 45 flavonoids, 10 iridoid glycosides, 39 phenylethanoid glycosides, 9 phenylpropanoids, 11 organic acids, 4 phenolics, and 16 other compounds. Additionally, 38 prototype absorbed components in serum were characterized for the purpose of network construction. 11 key components and 10 core targets (VEGFA, STAT3, RELA/NF-κB p65, PIK3R1, PIK3CA, MMP9, MMP1, IL-6, HDAC1, and FGF2) were determined by the target network pharmacology. Through Gene Ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, it was found that these intersection targets are associated with various signaling pathways such as pathways in cancer, lipid and atherosclerosis, and prostate cancer. Notably, the lipid and atherosclerosis pathway was closely linked to OA. The molecular docking results demonstrated strong binding affinities of the three core targets: IL-6, STAT3, and RELA/NF-κB p65. These results suggest that these targets may play a significant role for THJGW in treating OA. In vitro experiments showed that THJGW had notable protective effects on LPS-induced RAW264.7 macrophages by reducing levels of TNF-α and IL-6, and inhibiting phosphorylation expression of STAT3 and NF-κB p65 proteins related to the lipid and atherosclerosis pathway. This study provides insight into the pharmacodynamic material basis and mechanism of action for THJGW in the treatment of OA, which provide scientific evidence for the scientific application and improvement of quality standards for THJGW.
研究领域:
药理学
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生物化学
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分子生物学
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中医药
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高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Chenyu Jiang,Xinghe Zhang,Jiahui Yu,Ling-zhi Cheong,Xingguo Wang,Wei Wei
Herein, polar lipids, including glycerophospholipid, lysophospholipid, cholesterol (CHOL), sphingomyelin (SM), and ceramide (Cer), in human breast milk were subjected to lipidomic analysis via UPSFC-Q-TOF-MS. A total of 11 lipid classes and 195 molecular species were identified and quantified in human breast milk samples ( n = 126) from three lactational stages across three regions in China. CHOL and SM together account for more than 50 % of the total polar lipids. The total polar lipids, SM, and phosphatidylethanolamine (PE) were ∼ 54.5, ∼17.8, and ∼ 3.5 mg/100 mL, respectively, which both significantly ( P < 0.05) increased from colostrum to later lactational stages. DHA is highly enriched (68 % of the total DHA) in PE molecules. SM and Cer contain high ratios of nervonic acid (24:1 n-9), ∼35 % and ∼ 23 %, respectively. General patterns exist in the variation of polar lipid molecular species in human breast milk across different regions throughout the lactational stages.
研究领域:
营养学
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脂质组学
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生物化学
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PubMed
高影响因子
PLANT CELL TISSUE AND ORGAN CULTURE
·
2024
·Vol. 156
·期 2
·1-11
·
IF 2.3
Zhang Gaowei,Luo Liping,Tian Kaili,Ning Fangjian,Wu Dong,Sun Qifang,Yu Wenjie,Yi Shengxiang,Hao Yingbin
Dendrobium officinale is a perennial herb with medicinal and edible qualities. The growth and nutritional properties of this plant are significantly affected by the light quality. However, the impact of varying light quality on the phytochemical characteristics of tissue-cultured seedlings of D. officinale is still unknown. In this study, tissue-cultured seedlings of D. officinale were grown for ninety days under six LED lights, including white light (W), blue LED (B), red LED (R), and three composite light environments with varying quantities of red and blue light: 1:2 (R1B2), 1:1 (R1B1), and 2:1 (R2B1). The growth status and physiological signs of the seedlings were analyzed and we used high-performance liquid chromatography (HPLC), ultra-performance liquid chromatography/time-of-flight mass spectrometry (UPLC-Q/TOF-MS), and pathway enrichment analysis to thoroughly examine the metabolomic changes, with a focus on phenolic compounds. Our results indicated that R2B1 illumination led to the best growth of D. officinale seedlings, with maximal energy absorption, and phenolic contents. In conclusion, R2B1 was considered the most profitable for tissue-culture production of D. officinale .
研究领域:
植物学
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药用植物学
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代谢组学
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高影响因子
RSC Advances
·
2026
·Vol. 16
·期 15
·13572-13584
·
IF 6.1
Yirang Wang,Zhongquan Li,Jiahui Cheng,Tingyuan Zheng,Peijie Chen,Xiaojun Deng,Pei-chao Zhang,Bing Liu
5α Reductase inhibitors (finasteride and dutasteride) have been classified as monitored substances by the World Anti-Doping Agency (WADA) due to their potential abuse as masking agents for anabolic-androgenic steroids. As a member of the same class of inhibitors, epristeride shares a similar pharmacological mechanism of action and thus poses an inherent risk of abuse. However, current research on the metabolic characteristics of epristeride remains limited, which hinders its effective monitoring in anti-doping practices. In this study, a zebrafish model combined with liquid chromatography-quadrupole-time-of-flight mass spectrometry (LC-Q-TOF MS) was employed to systematically investigate the metabolic transformation of epristeride in vivo. Additionally, omics analysis was utilized to elucidate the effects of epristeride administration on endogenous metabolic pathways. A total of 11 epristeride metabolites were successfully identified, including 4 phase I metabolites and 7 phase II metabolites, primarily involving metabolic reactions such as oxidation, methylation, and glucuronide conjugation. Omics analysis revealed that N,N-dimethyldecylamine oxide (DDAO) with an AUC value of 0.80 could serve as a potential biomarker. Pathway enrichment analysis indicated that epristeride significantly perturbed purine metabolism and aromatic amino acid biosynthesis. These findings provide a more precise understanding of the metabolic fate of epristeride in organisms, offering a scientific basis for the development of accurate detection methods.
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Pharmaceuticals
·
2026
·Vol. 19
·期 3
·470
·
IF 5.7
Liying Wang,Yinuo Liu,Nali Chen,Shanshan Xiao,Shuang Yang,Zhihua Lv
Background:The visceral organs of sea cucumbers belonging to the family Stichopodidae, also known as Stichopodidae Viscus (SV), have been traditionally used for the management of gastrointestinal disorders. Experimental evidence has shown that the ethanol extract of SV (SVE) alleviates ulcerative colitis (UC) symptoms in a mouse model. However, the chemical constituents of SVE and the potential molecular targets mediating its effects in UC remain unclear.Methods:In this study, SVE was prepared fromApostichopus japonicus(Selenka). A reliable and sensitive strategy integrating advanced analytical and informatics tools was employed to profile the chemical components of SVE. Analyses were performed using ultra-performance liquid chromatography coupled with ion mobility spectrometry and quadrupole time-of-flight mass spectrometry operating in high-definition MSE(UPLC-IMS-Q-TOF-HDMSE), with data processed using the UNIFI scientific information system. Constituent identification relied on retention time (RT), accurate mass (MS1), experimentally acquired HDMSE(MS2) spectra, and collision cross-section (CCS). Metabolomics-based approaches were further applied to characterize the in vivo exposure profile of SVE components in mouse serum and colon tissue after oral administration. Subsequently, the putative bioactive constituents and their underlying mechanisms of action were investigated using network pharmacology and molecular docking.Results:Based on the integrated identification strategy, a total of 78 compounds, including saponins, phenolic acids, fatty acids, and amino acids, were annotated in SVE, among which 6 compounds were verified using authentic reference standards to ensure unambiguous identification. Subsequently, 35 features in serum and 24 in the colon were found to be significantly altered following a single oral dose of SVE in mice, and were defined as SVE-related differential constituents. After network pharmacology analyses, 129 shared targets were identified between potential targets of SVE-related components in serum and UC-related targets, including PIK3CA, EGFR, and AKT1. Functional enrichment analysis suggested that SVE might exert its effects in UC through modulation of key nodes within the PI3K-Akt and EGFR signaling pathways, as well as lipid- and atherosclerosis-related pathways. Molecular docking results further indicated moderate binding affinities of representative SVE-related differential components toward PIK3CA, AKT1, and EGFR.Conclusions:This study clarifies the chemical basis and potential UC-related mechanisms of SVE, providing a scientific rationale for the development of SV-derived therapeutic candidates for UC.
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高影响因子
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