Dimension-controllable supramolecular organic frameworks(SOFs)with aggregation-enhanced fluorescence are hierarchically fabricated through the host-guest interactions of cucurbit[8]uril(CB[8])and coumarin-modified tet...Dimension-controllable supramolecular organic frameworks(SOFs)with aggregation-enhanced fluorescence are hierarchically fabricated through the host-guest interactions of cucurbit[8]uril(CB[8])and coumarin-modified tetraphenylethylene derivatives(TPEC).The three-dimensional layered SOFs could be constructed from the further stacking of two-dimensional mono-layered structures via simply regulating the self-assembly conditions including the culturing time and concentration.Upon light irradiation under the wavelength of 365 nm,the photodimerization of coumarin moieties occurred,which resulted in the transformation of the resultant TPECn/CB[8]4n two-dimensional SOFs into robust covalently-connected 2D polymers with molecular thickness.Interestingly,the supramolecular system of TPEC/CB[8]exhibited intriguing multicolor fluorescence emission from yellow to blue in the time range of 0-24 h at 365 nm irradiation,possessing potential applicability for photochromic fluorescence ink.展开更多
Carbon capture and storage technology have been rapidly developed to reduce the carbon dioxide(CO2)emission into the environment.It has been found that the amine-based organic molecules could absorb CO_(2) efficiently...Carbon capture and storage technology have been rapidly developed to reduce the carbon dioxide(CO2)emission into the environment.It has been found that the amine-based organic molecules could absorb CO_(2) efficiently and form the bicarbonate salts through hydrogen-bond(H-bond)interactions.Recently,the aqueous 1,3-diphenylguanidine(DPG)solution was developed to trap and convert CO_(2) to valuable chemicals under ambient conditions.However,how the DPG molecules interact with CO_(2) in an aqueous solution remains unclear.In this work,we perform molecular dynamics simulations to explore the atomistic details of CO_(2) in the aqueous DPG.The simulated results reveal that the protonated DPGH+and the bicarbonate anions prefer to form complexes through different H-bond patterns.These double H-bonds are quite stable in thermodynamics,as indicated from the accurate density functional theory calculations.This study is helpful to understand the catalytic mechanism of CO_(2) conversion in the aqueous DPG.展开更多
Using a microscopic four-body cluster model,we investigate the spectral properties and structural configurations of the ^(10)Be nucleus.We calculate physical quantities such as the root-mean-squared(r.m.s.)radii and e...Using a microscopic four-body cluster model,we investigate the spectral properties and structural configurations of the ^(10)Be nucleus.We calculate physical quantities such as the root-mean-squared(r.m.s.)radii and electromagnetic transition strengths.The theoretical results for the energies and certain electromagnetic transition strengths of the low-lying states show good agreement with experimental data.In particular,the enhancement of the r.m.s.radius and isoscalar monopole transition strength of the O_(3)^(+) state indicates a well-developed cluster structure.We obtained three 1-states in E_(x)<15 MeV that show remarkable dipole transition strengths,suggesting that the 1-states may have cluster structure.Using the obtained wave functions,we calculate the reduced-width amplitudes(RWAs)to investigate the SHe+α and'Be+n two-body cluster structures in ^(10)Be.The results suggest that the lowlying states show the two-body ^(6)He+α and ^(9)Be+n configuration,with the ^(6)He+α components of the two-body structure diminishing as the energy increases,which due to the breakup of He and ^(9)Be at higher excitation energies.Moreover,a few states above the α+α+n+n threshold still exhibit significant 9Be+n components.展开更多
Recent pharmacokinetic studies have demonstrated that gastric acid suppression(AS)reduces exposure of gefitinib.However,the clinical significance of this drug-drug interaction(DDI)has not been determined.We,therefore,...Recent pharmacokinetic studies have demonstrated that gastric acid suppression(AS)reduces exposure of gefitinib.However,the clinical significance of this drug-drug interaction(DDI)has not been determined.We,therefore,evaluated it in this real-world study.A total of 200 NSCLC patients who received gefitinib from 2016 to 2018 at Fudan University Shanghai Cancer Center(FUSCC)were randomly selected.The patients were divided into two groups according to whether AS was used.The clinical characteristics of the patients were collected,and the efficacy and safety of gefitinib were compared between the two groups.We showed that 188 patients were considered eligible for this retrospective analysis,49 received AS(AS user group),while 139 patients did not(AS non-user group).Objective response rate(ORR)and disease control rate(DCR)in the AS user group versus AS non-user group were 69.4%versus 73.4%(P=0.591)and 89.8%versus 90.6%(P=0.486),respectively,while the progression-free survival(PFS)were 9.7 versus 12.2 months(P=0.0644).No significant difference in ORR,DCR or PFS was observed between the two groups.Further study showed that the PFS was related to the time of co-administration,and the patients receiving over 50%AS prescription overlap with gefitinib was significantly less compared with the other people(8.4 vs 12.6 months,P=0.0004).The frequencies of rash(8.2%vs 15.1%,P=0.281),diarrhea(4.1%vs 6.5%,P=0.539)and elevated ALT or AST level(6.1%vs 10.1%,P=0.407)were similar for both groups.Therefore,concomitant use of AS and gefitinib might affect the efficacy of gefitinib,which should be avoided if possible.展开更多
基金supported by Anhui Province Natural Science Funds(2008085QE209)K2020-03 from the State Key Laboratory of Molecular Engineering of Polymers(Fudan University)。
文摘Dimension-controllable supramolecular organic frameworks(SOFs)with aggregation-enhanced fluorescence are hierarchically fabricated through the host-guest interactions of cucurbit[8]uril(CB[8])and coumarin-modified tetraphenylethylene derivatives(TPEC).The three-dimensional layered SOFs could be constructed from the further stacking of two-dimensional mono-layered structures via simply regulating the self-assembly conditions including the culturing time and concentration.Upon light irradiation under the wavelength of 365 nm,the photodimerization of coumarin moieties occurred,which resulted in the transformation of the resultant TPECn/CB[8]4n two-dimensional SOFs into robust covalently-connected 2D polymers with molecular thickness.Interestingly,the supramolecular system of TPEC/CB[8]exhibited intriguing multicolor fluorescence emission from yellow to blue in the time range of 0-24 h at 365 nm irradiation,possessing potential applicability for photochromic fluorescence ink.
基金supported by the National Natural Science Foundation of China(No.21973015 and No.22125301)。
文摘Carbon capture and storage technology have been rapidly developed to reduce the carbon dioxide(CO2)emission into the environment.It has been found that the amine-based organic molecules could absorb CO_(2) efficiently and form the bicarbonate salts through hydrogen-bond(H-bond)interactions.Recently,the aqueous 1,3-diphenylguanidine(DPG)solution was developed to trap and convert CO_(2) to valuable chemicals under ambient conditions.However,how the DPG molecules interact with CO_(2) in an aqueous solution remains unclear.In this work,we perform molecular dynamics simulations to explore the atomistic details of CO_(2) in the aqueous DPG.The simulated results reveal that the protonated DPGH+and the bicarbonate anions prefer to form complexes through different H-bond patterns.These double H-bonds are quite stable in thermodynamics,as indicated from the accurate density functional theory calculations.This study is helpful to understand the catalytic mechanism of CO_(2) conversion in the aqueous DPG.
文摘Using a microscopic four-body cluster model,we investigate the spectral properties and structural configurations of the ^(10)Be nucleus.We calculate physical quantities such as the root-mean-squared(r.m.s.)radii and electromagnetic transition strengths.The theoretical results for the energies and certain electromagnetic transition strengths of the low-lying states show good agreement with experimental data.In particular,the enhancement of the r.m.s.radius and isoscalar monopole transition strength of the O_(3)^(+) state indicates a well-developed cluster structure.We obtained three 1-states in E_(x)<15 MeV that show remarkable dipole transition strengths,suggesting that the 1-states may have cluster structure.Using the obtained wave functions,we calculate the reduced-width amplitudes(RWAs)to investigate the SHe+α and'Be+n two-body cluster structures in ^(10)Be.The results suggest that the lowlying states show the two-body ^(6)He+α and ^(9)Be+n configuration,with the ^(6)He+α components of the two-body structure diminishing as the energy increases,which due to the breakup of He and ^(9)Be at higher excitation energies.Moreover,a few states above the α+α+n+n threshold still exhibit significant 9Be+n components.
文摘Recent pharmacokinetic studies have demonstrated that gastric acid suppression(AS)reduces exposure of gefitinib.However,the clinical significance of this drug-drug interaction(DDI)has not been determined.We,therefore,evaluated it in this real-world study.A total of 200 NSCLC patients who received gefitinib from 2016 to 2018 at Fudan University Shanghai Cancer Center(FUSCC)were randomly selected.The patients were divided into two groups according to whether AS was used.The clinical characteristics of the patients were collected,and the efficacy and safety of gefitinib were compared between the two groups.We showed that 188 patients were considered eligible for this retrospective analysis,49 received AS(AS user group),while 139 patients did not(AS non-user group).Objective response rate(ORR)and disease control rate(DCR)in the AS user group versus AS non-user group were 69.4%versus 73.4%(P=0.591)and 89.8%versus 90.6%(P=0.486),respectively,while the progression-free survival(PFS)were 9.7 versus 12.2 months(P=0.0644).No significant difference in ORR,DCR or PFS was observed between the two groups.Further study showed that the PFS was related to the time of co-administration,and the patients receiving over 50%AS prescription overlap with gefitinib was significantly less compared with the other people(8.4 vs 12.6 months,P=0.0004).The frequencies of rash(8.2%vs 15.1%,P=0.281),diarrhea(4.1%vs 6.5%,P=0.539)and elevated ALT or AST level(6.1%vs 10.1%,P=0.407)were similar for both groups.Therefore,concomitant use of AS and gefitinib might affect the efficacy of gefitinib,which should be avoided if possible.
