Based on the Reynolds-Averaged Navier-Stokes equations and mass transfer model, an approach, where a three-component cavitation model is proposed, is presented to simulate ventilated cavitating flow as well as natural...Based on the Reynolds-Averaged Navier-Stokes equations and mass transfer model, an approach, where a three-component cavitation model is proposed, is presented to simulate ventilated cavitating flow as well as natural cavitation. In the proposed cavitation model, the initial content of nucleus in the local flow field is updated instantaneously, and is coupled with the Rayleigh-Plesset equation to capture the cavity development. The proposed model is applied to simulate the cavitating flow around an under-water vehicle in different cavitation conditions. The results indicate that for the natural and ventilated cavitation simulation, the predicted cavitation characteristics including the cavity length, cavity diameter and cavity shape agree satisfactorily with the analytic and experimental results, for the ventilated cavitation, the proposed methods reproduce the special behavior that the axial line of the cavity bends and rises at the tail part. The study concludes that the ventilated flow rate of the non-condensate gas influences the development of natural cavitation as well as ventilated cavitation, and the vapor cavity is suppressed remarkably by the gas cavity with the increase of the gas ventilation.展开更多
Eleven triazolyl substituted tetrahydrobenzofuran derivatives were synthesized in high yields as novel H＋/K＋- ATPase inhibitor via one-pot Cul-catalyzed three-component click reaction of azide, secondary amine and 3...Eleven triazolyl substituted tetrahydrobenzofuran derivatives were synthesized in high yields as novel H＋/K＋- ATPase inhibitor via one-pot Cul-catalyzed three-component click reaction of azide, secondary amine and 3-bromopropyne under mild conditions in water. Their structures were characterized by NMR, IR, ESI-MS, ele- mental analysis and single-crystal X-ray diffraction analysis. Most of the target compounds exhibited better H＋/K＋- ATPase inhibitory activity than commercial omeprazole with IC50 values less than 15 gmol＇L-~. The initial struc- ture-activity analysis suggested that the triazole substituted by cycloalkyl, aromatic ring or O-containing side-chain seemed to be beneficial for enhancing the activity.展开更多
The pyrrole moiety is an important structural motif in functional materials,natural products,and pharmaceuticals.More and more synthetic strategies toward pyrroles have emerged,where various efficient building blocks ...The pyrrole moiety is an important structural motif in functional materials,natural products,and pharmaceuticals.More and more synthetic strategies toward pyrroles have emerged,where various efficient building blocks are developed and these synthons enable the syntheses of pyrroles with different numbers of components.However,no review specifically summarizes the syntheses of pyrroles according to the type and number of employed building blocks.To aid researchers to design appropriate substrates for pyrrole synthesis,herein we summarized the advances in pyrrole syntheses and classified these reactions into four categories according to the number of employed components,which may shed light on developing more efficient synthetic methods toward substituted pyrroles.展开更多
A novel and efficient synthetic route to a-aminophosphonates containing benzothiazole moiety via a cascade three-component reaction from conveniently available starting materials has been developed. The target compoun...A novel and efficient synthetic route to a-aminophosphonates containing benzothiazole moiety via a cascade three-component reaction from conveniently available starting materials has been developed. The target compounds 3a-3g, 7 and 8a, 8b were evaluated for their anticancer activities against the cancer cell line HL-60 in vitro by the MTT method. Compound 3g showed good cancer inhibitory activity against the tested cell line. Further study is necessary to find out the potential antitumor activities.展开更多
Cooperative NHC/photoredox catalysis has emerged as an important research field in recent years.Herein,this article describes the use of cesium salt derivatives of tert-alcohols as alkyl radical precursors in a three-...Cooperative NHC/photoredox catalysis has emerged as an important research field in recent years.Herein,this article describes the use of cesium salt derivatives of tert-alcohols as alkyl radical precursors in a three-component reaction with styrene and aromatic acyl fluorides to synthesizeα-arylalkyl aryl ketones.The aroyl fluoride reacts with the NHC catalyst,leading to the formation of an acyl azolium ion.This acyl azolium ion can then be reduced by the photoredox catalyst,generating the corresponding ketyl radical anion.The C-radical generated from oxalate oxidation undergoes an addition reaction with the styrene derivative,followed by cross-coupling of the addition radical with the ketone radical,which is fragmented by NHC to give the target ketone.展开更多
Ureas are widely used in drugs,materials and catalysts because of their diamide structure,which can form strong hydrogen bonds.Therefore,it is of great scientific significance to develop efficient and green methods fo...Ureas are widely used in drugs,materials and catalysts because of their diamide structure,which can form strong hydrogen bonds.Therefore,it is of great scientific significance to develop efficient and green methods for the synthesis of urea compounds,especially unsymmetrical ureas.Here,we have disclosed novel and highly efficient three-component coupling reactions of organic halides,sodium cyanate and amines enabled by nickel/photoredox dual catalysis for the preparation of unsymmetrical ureas.The reaction features simple and safe operations,broad substrate scopes,and product diversities.It allows the facile synthesis of N-aryl/vinyl ureas from readily available,user-friendly feedstocks under mild conditions(27 examples,36%—98%yields).In addition,this method is further derived to alcohols as nucleophiles to synthesize a series of carbamates(15 examples,40%—95%yields).The mechanism experiment shows that the isocyanate produced by the coupling of halide and sodium cyanate may be the key intermediate in this reaction.展开更多
A novel method for the preparation of highly functionalized 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes(OPCMs)from 3-formylchromones andα-isocyanoacetates via an unprecedented three-component[1+1+3]cycloaddition reaction i...A novel method for the preparation of highly functionalized 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes(OPCMs)from 3-formylchromones andα-isocyanoacetates via an unprecedented three-component[1+1+3]cycloaddition reaction in one pot was developed.The three-component cascade reaction was enabled by refluxing a mixture of the substrates in 1,4-dioxane in the presence of Ag_(2)CO_(3) as a Lewis acid promoter.As a result,a series of functionalized pyrroles(OPCMs,3),was prepared regioselectively and in high yields(80%-88%)through the formation of three bonds.This protocol can be used in the synthesis of OPCMs rather than through conventional,multi-step reactions and is suitable for both combinatorial and parallel syntheses of pyrroles.展开更多
A H_(4)SiW_(12)O_(40)-catalyzed three-component tandem reaction of 2-acylbenzoic acids,primary amines and phosphine oxides to form 3,3-disubstituted isoindolinones was developed.By employing A H_(4)SiW_(12)O_(40)as th...A H_(4)SiW_(12)O_(40)-catalyzed three-component tandem reaction of 2-acylbenzoic acids,primary amines and phosphine oxides to form 3,3-disubstituted isoindolinones was developed.By employing A H_(4)SiW_(12)O_(40)as the catalyst and dimethyl carbonate(DMC)as the solvent,a diverse range of 2-acylbenzoic acid derivatives and primary amines worked well to give the C3-phosphinoyl-functionalized 3,3-disubstituted isoindolinones with the yield range of 61%-87%.Advantages of this transformation include green catalyst and solvent,available starting materials,broad substrate scope,high efficiency and operational simplicity with water as the sole by-product.The strategy achieved an efficient and green molecular fragment assembly to access isoindolinones,which would provide opportunities for the synthesis of potential biologically active molecules in a green manner.展开更多
A facile and environmentally friendly visible-light-induced three-component reaction of α-diazoesters,cyclic ethers and Na SCN to construct organic thiocyanates has been developed at room temperature. This reaction c...A facile and environmentally friendly visible-light-induced three-component reaction of α-diazoesters,cyclic ethers and Na SCN to construct organic thiocyanates has been developed at room temperature. This reaction could occur under photocatalyst-and additive-free conditions to afford a number of organic thiocyanates with moderate to good yield and favorable functional group tolerance.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 50976061, 50676044)the Natural Science Foundation of Beijing (Grant No. 3072008)
文摘Based on the Reynolds-Averaged Navier-Stokes equations and mass transfer model, an approach, where a three-component cavitation model is proposed, is presented to simulate ventilated cavitating flow as well as natural cavitation. In the proposed cavitation model, the initial content of nucleus in the local flow field is updated instantaneously, and is coupled with the Rayleigh-Plesset equation to capture the cavity development. The proposed model is applied to simulate the cavitating flow around an under-water vehicle in different cavitation conditions. The results indicate that for the natural and ventilated cavitation simulation, the predicted cavitation characteristics including the cavity length, cavity diameter and cavity shape agree satisfactorily with the analytic and experimental results, for the ventilated cavitation, the proposed methods reproduce the special behavior that the axial line of the cavity bends and rises at the tail part. The study concludes that the ventilated flow rate of the non-condensate gas influences the development of natural cavitation as well as ventilated cavitation, and the vapor cavity is suppressed remarkably by the gas cavity with the increase of the gas ventilation.
文摘Eleven triazolyl substituted tetrahydrobenzofuran derivatives were synthesized in high yields as novel H＋/K＋- ATPase inhibitor via one-pot Cul-catalyzed three-component click reaction of azide, secondary amine and 3-bromopropyne under mild conditions in water. Their structures were characterized by NMR, IR, ESI-MS, ele- mental analysis and single-crystal X-ray diffraction analysis. Most of the target compounds exhibited better H＋/K＋- ATPase inhibitory activity than commercial omeprazole with IC50 values less than 15 gmol＇L-~. The initial struc- ture-activity analysis suggested that the triazole substituted by cycloalkyl, aromatic ring or O-containing side-chain seemed to be beneficial for enhancing the activity.
基金We thank the financial support from the Recruitment Program of Global Experts(1000 Talents Plan)Gansu Province Science Foundation for Distinguished Young Scholars(No.20JR5RA304).
文摘The pyrrole moiety is an important structural motif in functional materials,natural products,and pharmaceuticals.More and more synthetic strategies toward pyrroles have emerged,where various efficient building blocks are developed and these synthons enable the syntheses of pyrroles with different numbers of components.However,no review specifically summarizes the syntheses of pyrroles according to the type and number of employed building blocks.To aid researchers to design appropriate substrates for pyrrole synthesis,herein we summarized the advances in pyrrole syntheses and classified these reactions into four categories according to the number of employed components,which may shed light on developing more efficient synthetic methods toward substituted pyrroles.
文摘A novel and efficient synthetic route to a-aminophosphonates containing benzothiazole moiety via a cascade three-component reaction from conveniently available starting materials has been developed. The target compounds 3a-3g, 7 and 8a, 8b were evaluated for their anticancer activities against the cancer cell line HL-60 in vitro by the MTT method. Compound 3g showed good cancer inhibitory activity against the tested cell line. Further study is necessary to find out the potential antitumor activities.
基金supported by Sichuan Science and Technology Program(No.2020YJ0221).
文摘Cooperative NHC/photoredox catalysis has emerged as an important research field in recent years.Herein,this article describes the use of cesium salt derivatives of tert-alcohols as alkyl radical precursors in a three-component reaction with styrene and aromatic acyl fluorides to synthesizeα-arylalkyl aryl ketones.The aroyl fluoride reacts with the NHC catalyst,leading to the formation of an acyl azolium ion.This acyl azolium ion can then be reduced by the photoredox catalyst,generating the corresponding ketyl radical anion.The C-radical generated from oxalate oxidation undergoes an addition reaction with the styrene derivative,followed by cross-coupling of the addition radical with the ketone radical,which is fragmented by NHC to give the target ketone.
基金the National Natural Science Foundation of Chinaa(Nos.22271113,92256301,21822103,91956201,21820102003 and 21602052)the Natural Science Foundation of Hubei Province(No.2022CFB413)the fund from Central China Normal University for support of this research.
文摘Ureas are widely used in drugs,materials and catalysts because of their diamide structure,which can form strong hydrogen bonds.Therefore,it is of great scientific significance to develop efficient and green methods for the synthesis of urea compounds,especially unsymmetrical ureas.Here,we have disclosed novel and highly efficient three-component coupling reactions of organic halides,sodium cyanate and amines enabled by nickel/photoredox dual catalysis for the preparation of unsymmetrical ureas.The reaction features simple and safe operations,broad substrate scopes,and product diversities.It allows the facile synthesis of N-aryl/vinyl ureas from readily available,user-friendly feedstocks under mild conditions(27 examples,36%—98%yields).In addition,this method is further derived to alcohols as nucleophiles to synthesize a series of carbamates(15 examples,40%—95%yields).The mechanism experiment shows that the isocyanate produced by the coupling of halide and sodium cyanate may be the key intermediate in this reaction.
基金the Natural Science Foundation of Yunnan Province(No.2019FY003003)the National Natural Science Foundation of China(No.21662042)the Scientific and Technological Innovation Team of Green Synthesis and Activity Research of Natural-like Heterocyclic Compound Libraries in Universities of Yunnan Province(No.C17624011121).
文摘A novel method for the preparation of highly functionalized 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes(OPCMs)from 3-formylchromones andα-isocyanoacetates via an unprecedented three-component[1+1+3]cycloaddition reaction in one pot was developed.The three-component cascade reaction was enabled by refluxing a mixture of the substrates in 1,4-dioxane in the presence of Ag_(2)CO_(3) as a Lewis acid promoter.As a result,a series of functionalized pyrroles(OPCMs,3),was prepared regioselectively and in high yields(80%-88%)through the formation of three bonds.This protocol can be used in the synthesis of OPCMs rather than through conventional,multi-step reactions and is suitable for both combinatorial and parallel syntheses of pyrroles.
基金the National Natural Science Foundation of China(No.22001034)Jiangxi Provincial Natural Science Foundation(No.20212BAB213001).
文摘A H_(4)SiW_(12)O_(40)-catalyzed three-component tandem reaction of 2-acylbenzoic acids,primary amines and phosphine oxides to form 3,3-disubstituted isoindolinones was developed.By employing A H_(4)SiW_(12)O_(40)as the catalyst and dimethyl carbonate(DMC)as the solvent,a diverse range of 2-acylbenzoic acid derivatives and primary amines worked well to give the C3-phosphinoyl-functionalized 3,3-disubstituted isoindolinones with the yield range of 61%-87%.Advantages of this transformation include green catalyst and solvent,available starting materials,broad substrate scope,high efficiency and operational simplicity with water as the sole by-product.The strategy achieved an efficient and green molecular fragment assembly to access isoindolinones,which would provide opportunities for the synthesis of potential biologically active molecules in a green manner.
基金supported by the program of Science and Technology International Cooperation Project of Qinghai Province (No. 2022-HZ-813)the Youth Innovation and Technology Project of High School in Shandong Province (No. 2019KJC021)+1 种基金the Natural Science Foundation of Shandong Province (No. ZR2021MB065)the National Natural Science Foundation of China (No. 31900298)。
文摘A facile and environmentally friendly visible-light-induced three-component reaction of α-diazoesters,cyclic ethers and Na SCN to construct organic thiocyanates has been developed at room temperature. This reaction could occur under photocatalyst-and additive-free conditions to afford a number of organic thiocyanates with moderate to good yield and favorable functional group tolerance.
