Applications of process systems engineering(PSE)in plants and enterprises are boosting industrial reform from automation to digitization and intelligence.For ethylene thermal cracking,knowledge expression,numerical mo...Applications of process systems engineering(PSE)in plants and enterprises are boosting industrial reform from automation to digitization and intelligence.For ethylene thermal cracking,knowledge expression,numerical modeling and intelligent optimization are key steps for intelligent manufacturing.This paper provides an overview of progress and contributions to the PSE-aided production of thermal cracking;introduces the frameworks,methods and algorithms that have been proposed over the past10 years and discusses the advantages,limitations and applications in industrial practice.An entire set of molecular-level modeling approaches from feedstocks to products,including feedstock molecular reconstruction,reaction-network auto-generation and cracking unit simulation are described.Multilevel control and optimization methods are exhibited,including at the operational,cycle,plant and enterprise level.Relevant software packages are introduced.Finally,an outlook in terms of future directions is presented.展开更多
Amoenucles A-F(1-6),six previously undescribed nucleoside derivatives,and two known analogs(7 and 8)were isolated from the culture of Aspergillus amoenus TJ507.Their structures were elucidated through spectroscopic an...Amoenucles A-F(1-6),six previously undescribed nucleoside derivatives,and two known analogs(7 and 8)were isolated from the culture of Aspergillus amoenus TJ507.Their structures were elucidated through spectroscopic analysis,single-crystal X-ray crystallography,and chemical reactions.Notably,3 and 4 represent the first reported instances of nucleosides with an attached pyrrole moiety.Of particular significance,the absolute configuration of the sugar moiety of 1-4 was determined using nuclear magnetic resonance(NMR),electric circular dichroism(ECD)calculations,and a hydrolysis reaction,presenting a potentially valuable method for confirming nucleoside structures.Furthermore,1,2,and 5-8 exhibited potential tumor necrosis factorα(TNF-α)inhibitory activities,which may provide a novel chemical template for the development of agents targeting autoimmune and inflammatory diseases.展开更多
Psoriasis is a chronic immune-mediated inflammatory skin disease and the TNF-αis an important therapeutic target of this disease.In our continuous study of bioactive natural products from fungi,the first ergosterol-p...Psoriasis is a chronic immune-mediated inflammatory skin disease and the TNF-αis an important therapeutic target of this disease.In our continuous study of bioactive natural products from fungi,the first ergosterol-polyether adducts,polyaspers A(1)and B(2),along with two known ergosterols,(36,5α,6α,22E)-5,6-epoxy-3-hydroxyergosta-8,22-dien-7-one(3)and calvasterol B(4),were iso-lated from Aspergillus sp.TJ507.Structure elucidation was accomplished by extensive spectroscopic analysis and single-crystal X-ray diffraction tests.Polyaspers A and B possessing an unequalled 6/6/6/5/5/6/6/6/6 nonacyclic system,and their biosynthetic path-ways were proposed to include intermolecular cyclization and Diels-Alder reactions.Activity screen of these isolates showed that 1-3 could improve the cell viability in an actinomycin D/TNF-αinduced L929 cells death model,with the EC50 values of 49.85,46.75 and 4.99μmol/L,respectively,and the activity of 3 was even comparable with that of the positive control SPD304.Further bioactive investigations discovered 3 could suppress the inflammatory response simulated with TNF-αin HaCaT cells.In an imiquimod-induced psoriasis murine model,3 significantly restrained the development of psoriasis symptoms and reduced the expression of IL-17 and IL-23,presenting an anti-psoriatic effect.As such,those ergosterol derivatives,might serve as lead compounds for the development of novel TNF-αinhibitory agents in the clinical treatment of psoriasis.展开更多
基金The authors gratefully acknowledge the National Natural Science Foundation of China for its financial support(U1462206).
文摘Applications of process systems engineering(PSE)in plants and enterprises are boosting industrial reform from automation to digitization and intelligence.For ethylene thermal cracking,knowledge expression,numerical modeling and intelligent optimization are key steps for intelligent manufacturing.This paper provides an overview of progress and contributions to the PSE-aided production of thermal cracking;introduces the frameworks,methods and algorithms that have been proposed over the past10 years and discusses the advantages,limitations and applications in industrial practice.An entire set of molecular-level modeling approaches from feedstocks to products,including feedstock molecular reconstruction,reaction-network auto-generation and cracking unit simulation are described.Multilevel control and optimization methods are exhibited,including at the operational,cycle,plant and enterprise level.Relevant software packages are introduced.Finally,an outlook in terms of future directions is presented.
基金supported by the National Natural Science Foundation for Distinguished Young Scholars (No. 81725021)the National Natural Science Foundation of China (Nos.82003633 and 82173705)。
文摘Amoenucles A-F(1-6),six previously undescribed nucleoside derivatives,and two known analogs(7 and 8)were isolated from the culture of Aspergillus amoenus TJ507.Their structures were elucidated through spectroscopic analysis,single-crystal X-ray crystallography,and chemical reactions.Notably,3 and 4 represent the first reported instances of nucleosides with an attached pyrrole moiety.Of particular significance,the absolute configuration of the sugar moiety of 1-4 was determined using nuclear magnetic resonance(NMR),electric circular dichroism(ECD)calculations,and a hydrolysis reaction,presenting a potentially valuable method for confirming nucleoside structures.Furthermore,1,2,and 5-8 exhibited potential tumor necrosis factorα(TNF-α)inhibitory activities,which may provide a novel chemical template for the development of agents targeting autoimmune and inflammatory diseases.
基金supported financially by the National Natural Science Foundation for Distinguished Young Scholars (No.81725021)the National Natural Science Foundation of China (Nos.82003633,82173705 and 31972865)+2 种基金the Natural Science Foundation of Hubei Province (2023AFB791)the Research and Development Program of Hubei Province (2020BCA058)the Open Foundation of Hubei Key Laboratory of Wudang Local Chinese Medicine Research (WDCM2023010).
文摘Psoriasis is a chronic immune-mediated inflammatory skin disease and the TNF-αis an important therapeutic target of this disease.In our continuous study of bioactive natural products from fungi,the first ergosterol-polyether adducts,polyaspers A(1)and B(2),along with two known ergosterols,(36,5α,6α,22E)-5,6-epoxy-3-hydroxyergosta-8,22-dien-7-one(3)and calvasterol B(4),were iso-lated from Aspergillus sp.TJ507.Structure elucidation was accomplished by extensive spectroscopic analysis and single-crystal X-ray diffraction tests.Polyaspers A and B possessing an unequalled 6/6/6/5/5/6/6/6/6 nonacyclic system,and their biosynthetic path-ways were proposed to include intermolecular cyclization and Diels-Alder reactions.Activity screen of these isolates showed that 1-3 could improve the cell viability in an actinomycin D/TNF-αinduced L929 cells death model,with the EC50 values of 49.85,46.75 and 4.99μmol/L,respectively,and the activity of 3 was even comparable with that of the positive control SPD304.Further bioactive investigations discovered 3 could suppress the inflammatory response simulated with TNF-αin HaCaT cells.In an imiquimod-induced psoriasis murine model,3 significantly restrained the development of psoriasis symptoms and reduced the expression of IL-17 and IL-23,presenting an anti-psoriatic effect.As such,those ergosterol derivatives,might serve as lead compounds for the development of novel TNF-αinhibitory agents in the clinical treatment of psoriasis.
