Underground constructions often encounter water environments,where water–rock interaction can increase porosity,thereby weakening engineering rocks.Correspondingly,the failure criterion for chemically corroded rocks ...Underground constructions often encounter water environments,where water–rock interaction can increase porosity,thereby weakening engineering rocks.Correspondingly,the failure criterion for chemically corroded rocks becomes essential in the stability analysis and design of such structures.This study enhances the applicability of the Hoek-Brown(H-B)criterion for engineering structures operating in chemically corrosive conditions by introducing a kinetic porosity-dependent instantaneous mi(KPIM).A multiscale experimental investigation,including nuclear magnetic resonance(NMR),X-ray diffraction(XRD),scanning electron microscopy(SEM),pH and ion chromatography analysis,and triaxial compression tests,is employed to quantify pore structural changes and their linkage with the strength responses of limestone under coupled chemical-mechanical(C-M)conditions.By employing ion chromatography and NMR analysis,along with incorporating the principles of free-face dissolution theory accounting for both congruent and incongruent dissolution,a kinetic chemical corrosion model is developed.This model aims to calculate the kinetic porosity alterations within rocks exposed to varying H+concentrations and durations.Subsequently,utilizing the generalized mixture rule(GMR),the kinetic porositydependent mi is formulated.Evaluation of the KPIM-enhanced H-B criterion using compression test data from 5 types of rocks demonstrated a high level of consistency between the criterion and the experimental results,with a coefficient of determination greater than 0.96,a mean absolute percentage error less than 4.84%,and a root-mean-square deviation less than 5.95 MPa.Finally,the physical significance of the porosity-dependent instantaneous mi is clarified:it serves as an indicator of a rock’s capacity to leverage the confining pressure effect.展开更多
[Objectives]To explore the therapeutic effects and potential mechanisms of Glyasperin A(GAA)on myocardial ischemia(MI)based on network pharmacology and molecular docking.[Methods]The molecular structure of GAA was dow...[Objectives]To explore the therapeutic effects and potential mechanisms of Glyasperin A(GAA)on myocardial ischemia(MI)based on network pharmacology and molecular docking.[Methods]The molecular structure of GAA was downloaded from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and all targets of GAA were predicted by converting 3D model molecules into SMILES online tool and Swiss target prediction.Genecards database and DisGeNET database were used to find the targets related to MI,and then Venny 2.1.0 was used to generate the corresponding Wayne diagram,and then Cytoscape 3.9.1 software was used to construct the protein-protein interaction(PPI)network.With the help of DAVID database and Microbiology,the selected core targets were enriched and analyzed by gene ontology(GO),biological process(BP),and Kyoto Encyclopedia of Genes and Genomes(KEGG),and then the molecular docking between GAA and core targets was verified by AutoDock and Pymol software.[Results]A total of 1883 MI targets were screened,and in the protein-protein interaction network,AKT1,PTGS2,PPARG,ESR1,GSK3B were the proteins with higher values.Gene ontology and KEEG enrichment analysis showed that the biological processes involved mainly included inflammatory response,negative regulation of gene expression,and response to exogenous stimuli.Signaling pathways mainly include IL-17 signaling pathway,HIF-1 signaling pathway,and so on.The results of molecular docking showed that the binding energy of GAA and core protein was less than-5 Kcal/mol in four groups.These indicated that GAA with good binding had a certain therapeutic effect on myocardial ischemia.[Conclusions]Based on the systematic network pharmacology method,this study predicts the basic pharmacological effects and potential mechanisms of GAA in the treatment of MI,and reveals that GAA may treat MI through multiple targets and signaling pathways.It is expected to provide a basis for further study of its pharmacological mechanisms.展开更多
The study of the mineral and organic content of the Allende meteorite is important for our understanding of the molecular evolution of the universe as well as the ancient Earth. Previous studies have characterized the...The study of the mineral and organic content of the Allende meteorite is important for our understanding of the molecular evolution of the universe as well as the ancient Earth. Previous studies have characterized the magnetic minerals present in ordinary and carbonaceous chondrites, providing information on the evolution of magnetic fields. The interaction of organic compounds with magnetic minerals is a possible source of chemical diversity, which is crucial for molecular evolution. Carbon compounds in meteorites are of great scientific interest for a variety of reasons, such as their relevance to the origins of chirality in living organisms. This study presents the characterization of organic and mineral compounds in the Allende meteorite. The structural and physicochemical characterization of the Allende meteorite was accomplished through light microscopy, powder X-ray diffraction with complementary Rietveld refinement, Raman and infrared spectroscopy, mass spectrometry, scanning electron microscopy, and atomic force microscopy using magnetic signal methods to determine the complex structure and the interaction of organic compounds with magnetic Ni-Fe minerals. The presence of Liesegang-like patterns of chondrules in fragments of the Allende structure may also be relevant to understanding how the meteorite was formed. Other observations include the presence of magnetic materials and nanorod-like solids with relatively similar sizes as well as the heterogeneous distribution of carbon in chondrules. Signals observed in the Raman and infrared spectra resemble organic compounds such as carbon nanotubes and peptide-like molecules that have been previously reported in other meteorites, making the Mexican Allende meteorite a feasible sample for the study of the early Earth and exoplanetary bodies.展开更多
文摘Underground constructions often encounter water environments,where water–rock interaction can increase porosity,thereby weakening engineering rocks.Correspondingly,the failure criterion for chemically corroded rocks becomes essential in the stability analysis and design of such structures.This study enhances the applicability of the Hoek-Brown(H-B)criterion for engineering structures operating in chemically corrosive conditions by introducing a kinetic porosity-dependent instantaneous mi(KPIM).A multiscale experimental investigation,including nuclear magnetic resonance(NMR),X-ray diffraction(XRD),scanning electron microscopy(SEM),pH and ion chromatography analysis,and triaxial compression tests,is employed to quantify pore structural changes and their linkage with the strength responses of limestone under coupled chemical-mechanical(C-M)conditions.By employing ion chromatography and NMR analysis,along with incorporating the principles of free-face dissolution theory accounting for both congruent and incongruent dissolution,a kinetic chemical corrosion model is developed.This model aims to calculate the kinetic porosity alterations within rocks exposed to varying H+concentrations and durations.Subsequently,utilizing the generalized mixture rule(GMR),the kinetic porositydependent mi is formulated.Evaluation of the KPIM-enhanced H-B criterion using compression test data from 5 types of rocks demonstrated a high level of consistency between the criterion and the experimental results,with a coefficient of determination greater than 0.96,a mean absolute percentage error less than 4.84%,and a root-mean-square deviation less than 5.95 MPa.Finally,the physical significance of the porosity-dependent instantaneous mi is clarified:it serves as an indicator of a rock’s capacity to leverage the confining pressure effect.
基金the National Natural Science Foundation of China(62304252)the Youth Innovation Promotion Association of Chinese Academy Sciences(CAS)and IMECAS-HKUST-Joint Laboratory of Microelectronics。
基金Supported by Project of Science and Technology department of Guizhou Province([2019]1401)Guizhou Administration of Traditional Chinese Medicine(QZYY-2021-03)Guizhou Provincial Health Commission(gzwkj2021-464).
文摘[Objectives]To explore the therapeutic effects and potential mechanisms of Glyasperin A(GAA)on myocardial ischemia(MI)based on network pharmacology and molecular docking.[Methods]The molecular structure of GAA was downloaded from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and all targets of GAA were predicted by converting 3D model molecules into SMILES online tool and Swiss target prediction.Genecards database and DisGeNET database were used to find the targets related to MI,and then Venny 2.1.0 was used to generate the corresponding Wayne diagram,and then Cytoscape 3.9.1 software was used to construct the protein-protein interaction(PPI)network.With the help of DAVID database and Microbiology,the selected core targets were enriched and analyzed by gene ontology(GO),biological process(BP),and Kyoto Encyclopedia of Genes and Genomes(KEGG),and then the molecular docking between GAA and core targets was verified by AutoDock and Pymol software.[Results]A total of 1883 MI targets were screened,and in the protein-protein interaction network,AKT1,PTGS2,PPARG,ESR1,GSK3B were the proteins with higher values.Gene ontology and KEEG enrichment analysis showed that the biological processes involved mainly included inflammatory response,negative regulation of gene expression,and response to exogenous stimuli.Signaling pathways mainly include IL-17 signaling pathway,HIF-1 signaling pathway,and so on.The results of molecular docking showed that the binding energy of GAA and core protein was less than-5 Kcal/mol in four groups.These indicated that GAA with good binding had a certain therapeutic effect on myocardial ischemia.[Conclusions]Based on the systematic network pharmacology method,this study predicts the basic pharmacological effects and potential mechanisms of GAA in the treatment of MI,and reveals that GAA may treat MI through multiple targets and signaling pathways.It is expected to provide a basis for further study of its pharmacological mechanisms.
文摘The study of the mineral and organic content of the Allende meteorite is important for our understanding of the molecular evolution of the universe as well as the ancient Earth. Previous studies have characterized the magnetic minerals present in ordinary and carbonaceous chondrites, providing information on the evolution of magnetic fields. The interaction of organic compounds with magnetic minerals is a possible source of chemical diversity, which is crucial for molecular evolution. Carbon compounds in meteorites are of great scientific interest for a variety of reasons, such as their relevance to the origins of chirality in living organisms. This study presents the characterization of organic and mineral compounds in the Allende meteorite. The structural and physicochemical characterization of the Allende meteorite was accomplished through light microscopy, powder X-ray diffraction with complementary Rietveld refinement, Raman and infrared spectroscopy, mass spectrometry, scanning electron microscopy, and atomic force microscopy using magnetic signal methods to determine the complex structure and the interaction of organic compounds with magnetic Ni-Fe minerals. The presence of Liesegang-like patterns of chondrules in fragments of the Allende structure may also be relevant to understanding how the meteorite was formed. Other observations include the presence of magnetic materials and nanorod-like solids with relatively similar sizes as well as the heterogeneous distribution of carbon in chondrules. Signals observed in the Raman and infrared spectra resemble organic compounds such as carbon nanotubes and peptide-like molecules that have been previously reported in other meteorites, making the Mexican Allende meteorite a feasible sample for the study of the early Earth and exoplanetary bodies.