Article
Chemistry, Physical
Sha Li, Xing Hu, Junhui Pan, Deming Gong, Guowen Zhang
Summary: The study showed that apigenin reversibly inhibited pancreatic lipase activity in a competitive manner, and exhibited a synergistic effect when combined with orlistat. The formation of a complex between apigenin and pancreatic lipase driven by hydrogen bonds resulted in the inhibition of enzyme activity through a static manner. The research provided novel insights into the mechanism of apigenin as a pancreatic lipase inhibitor.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Food Science & Technology
Wenli Shi, Guowen Zhang, Yijing Liao, Xiaoyun Fei, Deming Gong, Xing Hu
Summary: Kaempferol, a natural flavonoid compound, was found to reversibly inhibit the activity of AChE through the formation of a complex with the enzyme, leading to a decrease in its catalytic activity. Additionally, kaempferol was found to increase the binding affinity of other drugs to AChE, resulting in a synergistic inhibition of its activity. This study provides new insights into the potential use of kaempferol as a functional food component for the treatment of AD.
Article
Chemistry, Applied
Zeru Xu, Qiongju Cao, Anne Manyande, Shanbai Xiong, Hongying Du
Summary: Polyphenols, specifically chlorogenic acid isomers, have inhibitory effects on lipase. The study found that neochlorogenic acid had better inhibitory effect than cryptochlorogenic acid, and electrostatic interaction force played a major role in the lipase-cryptochlorogenic acid system. Molecular dynamics studies showed that neochlorogenic acid had a greater impact on the lipase structure.
Article
Food Science & Technology
Miao Zhu, Junhui Pan, Xing Hu, Guowen Zhang
Summary: Epicatechin gallate (ECG) has been identified as a potential XO inhibitor, forming stable complexes and altering the conformation of XO to hinder substrate entry and product diffusion. ECG and allopurinol exert a synergistic inhibitory effect by binding to different active sites of XO and changing target amino acid residues. This study provides a theoretical basis for the further application of ECG in food nutrition and functional foods.
Article
Engineering, Environmental
Zhaoxin Wang, Jinlan Wen, Jihang Zhang, Jiawei Deng, Wei Zhuang, Jinle Liu, Zhi Wang, Yuan Rao, Yudan Zhu, Hanjie Ying
Summary: In this study, the effect of water content on lipase activity in organic solvent was investigated using a combination of experiments and molecular dynamics simulations. It was found that the addition of water initially increased and then decreased the enzyme activity. Molecular dynamics simulations revealed that lipase flexibility, substrate diffusion, and spatial distribution of the substrate on the enzyme surface were all affected by water content. This work provides guidance for controlling enzyme activities in organic solvent systems.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Applied
Yuying Wang, Lihang Chen, Huimin Liu, Jiahan Xie, Wandi Yin, Zhenghang Xu, Huijing Ma, Wenzhuo Wu, Mingzhu Zheng, Meihong Liu, Jingsheng Liu
Summary: This study identified novel pancreatic lipase (PL) inhibitors, cyanidin-3-O-glucoside (C3G) and catechin, extracted from black rice and adzuki bean coat extracts. The combination of C3G and catechin showed a synergistic effect in inhibiting PL, and molecular docking analysis revealed that these polyphenols formed interactions with PL amino acid residues. These findings suggest that C3G and catechin have potential for developing food supplements to prevent obesity.
Article
Chemistry, Physical
Xiaoli Wang, Jichen Yang, Huan Li, Se Shi, Xin Peng
Summary: Natural plant-based flavonoids, especially nepetin, have the potential to reduce postprandial hyperglycemia by inhibiting the activity of α-amylase. The combination of apigenin and scutellarein/hispidulin/nepetin synergistically improves their inhibitory effects on α-amylase. The addition of flavonoids results in the static quenching of α-amylase and the formation of non-covalent complexes, leading to a decrease in the enzyme's catalytic activity.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Food Science & Technology
Fuqiang Liang, Yumeng Shi, Weiwei Cao, Jiayi Shi
Summary: This study elucidated the inhibition mechanism of apigenin against PPL and comprehensively revealed its anti-obesity molecular basis through network pharmacology. Apigenin inhibited PPL and regulated multiple key targets and pathways to exhibit its anti-obesity effects beyond PPL inhibition.
Article
Chemistry, Applied
Xue Li, Yan-jun Liu, Bin-bin Nian, Xin-yu Cao, Chin-ping Tan, Yuan-fa Liu, Yong-jiang Xu
Summary: The study found that epoxy triglyceride (EGT) slows down the digestion rate compared to triglyceride (GT), possibly due to the increase in particle size caused by the epoxy group, leading to reduced contact area with lipase. Additionally, EGT showed decreased binding ability with salt ions in digestive juice and caused changes in lipase structure, suggesting that epoxy group weakens triglyceride digestion.
Article
Engineering, Environmental
Ning Sun, Jinhu Wang, Huijian Shi, Xiangxiang Li, Shuqi Guo, Yaoyue Wang, Shaoyang Hu, Rutao Liu, Canzhu Gao
Summary: Through combined experimental and simulation studies, it was found that polystyrene nanoplastics (PS NPs) and benzo[a]pyrene (BaP) exhibit synergistic toxicity in inducing oxidative stress. The cellular reactive oxygen species (ROS) levels were higher under co-exposure of PS NPs and BaP compared to individual exposure. Furthermore, BaP and PS NPs inhibited the decomposition of H2O2 by affecting the structure of the enzyme CAT, exacerbating oxidative stress. This study provides a new perspective and approach for understanding the toxicity of combined pollutants.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Liguo Wang, Yu Zhang, Le Guo, Fengjuan Wang, Siyi Ju, Shiyu Sui, Zhiyong Liu, Hongyan Chu, Jinyang Jiang
Summary: Studying the effects of organic admixtures on the hydration and dissolution mechanism of tricalcium silicate (C3S) is important for regulating cement-based materials. Citric-acid-modified chitosan (CAMC) can adsorb calcium ions released from C3S dissolution and inhibit particle dissolution, thereby interfering with the hydration process of cement silicate.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Thermodynamics
Zhi Li, Yue Zhang, Yimao Shen, Liwei Cheng, Bei Liu, Kele Yan, Guangjin Chen, Tianduo Li
Summary: The synergistic mechanism of KHIs and THIs in preventing methane hydrate formation involves three stages, with gas adsorption playing a dominant role. The addition of THIs to solutions containing KHIs enhances methane attraction and weakens the driving force for hydrate formation. It is suggested that the methane adsorption capacity of hybrid inhibitors should be considered in future development.
Article
Materials Science, Multidisciplinary
Yuanqiang Zhu, Qingqing Sun, Yuan Wang, Junlei Tang, Yingying Wang, Hu Wang
Summary: The study showed that the mixture corrosion inhibitors of OIM and CYS with a ratio of 3 to 1 exhibit the best synergistic effect in preventing carbon steel corrosion, forming a bilayer adsorption mechanism. This can effectively prevent the corrosive particles from diffusing through the film, providing a helpful guideline for further studying the synergistic inhibition effect of OIM and other chemicals.
Article
Chemistry, Applied
Wo-Qi Cai, Xuanling Liu, Wenting Chen, Zijie Huang, Chendong Li, Xianru Huang, Corke Harold, Bao-Lian Su, Bo-Bo Zhang, Qiong-Qiong Yang
Summary: This research aims to understand the synergistic mechanism of lecithin and polymers in stabilizing curcumin, focusing on the formation process of nanocomplexes and the binding energy between molecules. The study demonstrates that lecithin and polymers have a synergistic effect on the stability of curcumin against thermal acid, light, and digestion. It is proposed that the hydrophobic parts of curcumin molecules are anchored to the hydrophobic cavity of lecithin, while the hydrophilic parts are encapsulated by hydrophilic polymers to form a protective shell. This study contributes to the understanding of the synergistic mechanism of lecithin, polymers, and hydrophobic compounds, providing a useful approach for delivering bioactive compounds.
Article
Chemistry, Physical
Qing Mu, Xing Gao, Ying Yan, Ping Zhou
Summary: This study analyzed the evolution mechanism and influencing factors of ring structures during polishing process using both experiments and molecular dynamics simulations, and obtained an evolution-free surface. The results showed that the evolution from large rings to small rings was driven by the coupling action of load and hydroxylation. Increasing load facilitated the evolution and increased the critical evolution depth, while hydroxylation inhibited the evolution without altering the critical evolution depth.
APPLIED SURFACE SCIENCE
(2024)
