The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the Σ9 grain boundary for α-Fe at various temperatures and pressures...The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the Σ9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It. is shown that the contribution of entropy to surface tension of grain boundary can be ignored.展开更多
Xanthine oxidase(XO)inhibitory peptides,which are safe and efficacious as nutraceutical food components,have a remarkable effect on relieving hyperuricemia(HUA).In this study,three novel XO inhibitory peptides,TDGF,IG...Xanthine oxidase(XO)inhibitory peptides,which are safe and efficacious as nutraceutical food components,have a remarkable effect on relieving hyperuricemia(HUA).In this study,three novel XO inhibitory peptides,TDGF,IGDW and PFGE,were obtained from enzymatic hydrolysates of Esox lucius bone collagen through ultrafiltration,dextran gel chromatography and in silico screening.TDGF demonstrated the strongest XO inhibitory activity,with an IC50 of 3.27±0.23 mM.Molecular docking visualization indicated that all three peptides were capable of interacting with the amino acid residues located in the active cavity of XO.These interactions primarily consisted of hydrogen bonds,hydrophobic interactions and salt bridges.Based on findings from inhibitory kinetics,TDGF and PFGE were typical competitive inhibitors similar to allopurinol,while IGDW was a mixed competitive inhibitor.In addition,molecular dynamics simulations suggested that the inhibitory peptide bound to the enzyme forming a stable complex.When compared to IGDW and PFGE,TDGF exhibited a more intimate interaction with XO.This study shows that Esox lucius bone is a wonderful source for the preparation of XO inhibitory peptides,and the bioactive peptide TDGF is a potential candidate for the treatment of HUA.展开更多
基金The project supported by the National Natural Science Foundation of Chinathe Science Foundation of Chinese Academy of Sciences.
文摘The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the Σ9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It. is shown that the contribution of entropy to surface tension of grain boundary can be ignored.
基金supported by the XPCC Key areas Science and Technology Program of China(grant number 2023AB006-04)XPCC Guiding Science and Technology Program of China(grant number 2022DZ016)+2 种基金High-level Talent Initiation Program of Shihezi University(grant number RCZK202355)Key Laboratory for Nutrition and Safety of Xinjiang Specialty Foods,Shihezi City of Eighth Division(grant number 2022PT02)Research Program of Shihezi University(grant number PYZK202405)for providing financial funding.
文摘Xanthine oxidase(XO)inhibitory peptides,which are safe and efficacious as nutraceutical food components,have a remarkable effect on relieving hyperuricemia(HUA).In this study,three novel XO inhibitory peptides,TDGF,IGDW and PFGE,were obtained from enzymatic hydrolysates of Esox lucius bone collagen through ultrafiltration,dextran gel chromatography and in silico screening.TDGF demonstrated the strongest XO inhibitory activity,with an IC50 of 3.27±0.23 mM.Molecular docking visualization indicated that all three peptides were capable of interacting with the amino acid residues located in the active cavity of XO.These interactions primarily consisted of hydrogen bonds,hydrophobic interactions and salt bridges.Based on findings from inhibitory kinetics,TDGF and PFGE were typical competitive inhibitors similar to allopurinol,while IGDW was a mixed competitive inhibitor.In addition,molecular dynamics simulations suggested that the inhibitory peptide bound to the enzyme forming a stable complex.When compared to IGDW and PFGE,TDGF exhibited a more intimate interaction with XO.This study shows that Esox lucius bone is a wonderful source for the preparation of XO inhibitory peptides,and the bioactive peptide TDGF is a potential candidate for the treatment of HUA.
