Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-...Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-based membranes.Herein,we firstly reported the incorporation of protic ILs (PILs) having ether-rich and carboxylate sites (ECPILs) into poly(ether-block-amide)(Pebax) matrix for efficient separation H_(2)S and CO_(2)from CH_(4).Notably,the optimal permeability of H_(2)S reaches up to 4310 Barrer (40C,0.50 bar) in Pebax/ECPIL membranes,along with H_(2)S/CH_(4)and (H_(2)StCO_(2))/CH_(4)selectivity of 97.7 and 112.3,respectively.These values are increased by 1125%,160.8%and 145.9%compared to those in neat Pebax membrane.Additionally,the solubility and diffusion coefficients of the gases were measured,demonstrating that ECPIL can simultaneously strengthen the dissolution and diffusion of H_(2)S and CO_(2),thus elevating the permeability and permselectivity.By using quantum chemical calculations and FT-IR spectroscopy,the highly reversible multi-site hydrogen bonding interaction between ECPILs and H_(2)S was revealed,which is responsible for the fast permeation of H_(2)S and good selectivity.Furthermore,H_(2)S/CO_(2)/CH_(4)(3/3/94 mol/mol) ternary mixed gas can be efficiently and stably separated by Pebax/ECPIL membrane for at least 100 h.Overall,this work not only illustrates that PILs with ether-rich and carboxylate hydrogen bonding sites are outstanding materials for simultaneous removal of H_(2)S and CO_(2),but may also provide a novel insight into the design of membrane materials for natural gas upgrading.展开更多
Objectives:Breast cancer is characterized by significant metabolic dysregulation,in which altered enzyme activity plays a central role.Malate dehydrogenase 2(MDH2),a key enzyme in the tricarboxylic acid cycle,has been...Objectives:Breast cancer is characterized by significant metabolic dysregulation,in which altered enzyme activity plays a central role.Malate dehydrogenase 2(MDH2),a key enzyme in the tricarboxylic acid cycle,has been implicated in several malignancies,but its role in breast cancer tumorigenesis and progression remains unclear.We aimed to elucidate the oncogenic role of MDH2 in breast cancer and to evaluate its potential as a diagnostic,therapeutic,and prognostic biomarker.Methods:We combined in vitro cell-based assays with mouse xenograft models to systematically dissect how MDH2 governs breast cancer growth.In vitro,we assessed the effects of altered MDH2 expression on proliferation,migration,epithelial–mesenchymal transition(EMT),glucose consumption,and adenosine-5′-triphosphate(ATP)production.In vivo,we dynamically monitored tumor growth driven by MDH2 overexpression.Transcriptomic profiling,untargetedmetabolomics,and in-silico druggability analyses were integrated to elucidate downstream mechanisms and therapeutic potential.Results:In vitro,MDH2 depletion suppressed breast cancer cell proliferation and migration,reversed EMT,and markedly reduced glucose consumption and ATP production.In vivo,MDH2 overexpression accelerated xenograft tumor growth.Transcriptomic profiling revealed MDH2 had modified the gene expression profile of breast cancer cells,affecting several metastasis-related genes.Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis identified the phosphatidylinositol 3-kinase(PI3K)/protein kinase B(PKB,also known as AKT)pathway as a downstream effector pathway of MDH2.Untargeted metabolomics uncovered 62 MDH2-regulated metabolites,including the immunomodulatory metabolites adenosine and linoleic acid.In-silico modeling confirmed MDH2 as a novel druggable target.Conclusion:Our findings highlight the role of MDH2 in breast cancer metabolism and suggest it as a promising target for cancer therapies targeting metabolism and tumor growth.展开更多
In separation processes,hydrogen bonding has a very significant effect on the efficiency of isolation of acetic acid (HOAc) from HOAc/H2O mixtures. This intermolecular interaction on aggregates composed of a single HO...In separation processes,hydrogen bonding has a very significant effect on the efficiency of isolation of acetic acid (HOAc) from HOAc/H2O mixtures. This intermolecular interaction on aggregates composed of a single HOAc molecule and varying numbers of H2O molecules has been examined by using ab initio molecular dynamics simulations (AIMD) and quantum chemical calculations (QCC). Thermodynamic data in aqueous solution were obtained through the self-consistent reaction field calculations and the polarizable continuum model. The aggregation free energy of the aggregates in gas phase as well as in aqueous system shows that the 6-membered ring is the most favorable structure in both states. The relative stability of the ring structures inferred from the thermodynamic properties of the QCC is consistent with the ring distributions of the AIMD simulation. The study shows that in dilute aqueous solution of HOAc the more favorable molecular interaction is the hydrogen bonding between HOAc and H2O molecules,resulting in the separation of acetic acid from the HOAc/H2O mixtures with more difficulty than usual.展开更多
基金sponsored by the National Natural Science Foundation of China (Nos. 22308145, 22208140, 22178159, 22078145)Natural Science Foundation of Jiangsu Province (BK20230791)Postgraduate Research Innovation Program of Jiangsu Province (KYCX24_0165)。
文摘Removing H_(2)S and CO_(2)is of great significance for natural gas purification.With excellent gas affinity and tunable structure,ionic liquids(ILs) have been regarded as nontrivial candidates for fabricating polymer-based membranes.Herein,we firstly reported the incorporation of protic ILs (PILs) having ether-rich and carboxylate sites (ECPILs) into poly(ether-block-amide)(Pebax) matrix for efficient separation H_(2)S and CO_(2)from CH_(4).Notably,the optimal permeability of H_(2)S reaches up to 4310 Barrer (40C,0.50 bar) in Pebax/ECPIL membranes,along with H_(2)S/CH_(4)and (H_(2)StCO_(2))/CH_(4)selectivity of 97.7 and 112.3,respectively.These values are increased by 1125%,160.8%and 145.9%compared to those in neat Pebax membrane.Additionally,the solubility and diffusion coefficients of the gases were measured,demonstrating that ECPIL can simultaneously strengthen the dissolution and diffusion of H_(2)S and CO_(2),thus elevating the permeability and permselectivity.By using quantum chemical calculations and FT-IR spectroscopy,the highly reversible multi-site hydrogen bonding interaction between ECPILs and H_(2)S was revealed,which is responsible for the fast permeation of H_(2)S and good selectivity.Furthermore,H_(2)S/CO_(2)/CH_(4)(3/3/94 mol/mol) ternary mixed gas can be efficiently and stably separated by Pebax/ECPIL membrane for at least 100 h.Overall,this work not only illustrates that PILs with ether-rich and carboxylate hydrogen bonding sites are outstanding materials for simultaneous removal of H_(2)S and CO_(2),but may also provide a novel insight into the design of membrane materials for natural gas upgrading.
基金supported by grants from the GuangDong Basic and Applied Basic Research Foundation(2023B1515130009)the Science and Technology Bureau of Foshan(No.FS0AA-KJ819-4901-0082).
文摘Objectives:Breast cancer is characterized by significant metabolic dysregulation,in which altered enzyme activity plays a central role.Malate dehydrogenase 2(MDH2),a key enzyme in the tricarboxylic acid cycle,has been implicated in several malignancies,but its role in breast cancer tumorigenesis and progression remains unclear.We aimed to elucidate the oncogenic role of MDH2 in breast cancer and to evaluate its potential as a diagnostic,therapeutic,and prognostic biomarker.Methods:We combined in vitro cell-based assays with mouse xenograft models to systematically dissect how MDH2 governs breast cancer growth.In vitro,we assessed the effects of altered MDH2 expression on proliferation,migration,epithelial–mesenchymal transition(EMT),glucose consumption,and adenosine-5′-triphosphate(ATP)production.In vivo,we dynamically monitored tumor growth driven by MDH2 overexpression.Transcriptomic profiling,untargetedmetabolomics,and in-silico druggability analyses were integrated to elucidate downstream mechanisms and therapeutic potential.Results:In vitro,MDH2 depletion suppressed breast cancer cell proliferation and migration,reversed EMT,and markedly reduced glucose consumption and ATP production.In vivo,MDH2 overexpression accelerated xenograft tumor growth.Transcriptomic profiling revealed MDH2 had modified the gene expression profile of breast cancer cells,affecting several metastasis-related genes.Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis identified the phosphatidylinositol 3-kinase(PI3K)/protein kinase B(PKB,also known as AKT)pathway as a downstream effector pathway of MDH2.Untargeted metabolomics uncovered 62 MDH2-regulated metabolites,including the immunomodulatory metabolites adenosine and linoleic acid.In-silico modeling confirmed MDH2 as a novel druggable target.Conclusion:Our findings highlight the role of MDH2 in breast cancer metabolism and suggest it as a promising target for cancer therapies targeting metabolism and tumor growth.
基金Supported by the Jiangsu Planned Projects for Postdoctoral Research Funds (No. 0901001C)the National Natural Science Foundation of China (Grant No. 20876072)the Natural Science Foundation of Jiangsu Province (No. KB2008023)
文摘In separation processes,hydrogen bonding has a very significant effect on the efficiency of isolation of acetic acid (HOAc) from HOAc/H2O mixtures. This intermolecular interaction on aggregates composed of a single HOAc molecule and varying numbers of H2O molecules has been examined by using ab initio molecular dynamics simulations (AIMD) and quantum chemical calculations (QCC). Thermodynamic data in aqueous solution were obtained through the self-consistent reaction field calculations and the polarizable continuum model. The aggregation free energy of the aggregates in gas phase as well as in aqueous system shows that the 6-membered ring is the most favorable structure in both states. The relative stability of the ring structures inferred from the thermodynamic properties of the QCC is consistent with the ring distributions of the AIMD simulation. The study shows that in dilute aqueous solution of HOAc the more favorable molecular interaction is the hydrogen bonding between HOAc and H2O molecules,resulting in the separation of acetic acid from the HOAc/H2O mixtures with more difficulty than usual.
