Seven new monoterpene phenyl ethers,namely micranthumnins A-G(1-7),were isolated from the stem bark of Illicium micranthum(Illiciaceae).Their structures were elucidated by comprehensive spectroscopic analyses includin...Seven new monoterpene phenyl ethers,namely micranthumnins A-G(1-7),were isolated from the stem bark of Illicium micranthum(Illiciaceae).Their structures were elucidated by comprehensive spectroscopic analyses including MS,IR,1D and 2D NMR.All compounds were evaluated for their anti-AChE activities.展开更多
Halogenated methyl-phenyl ethers (anisoles) are ubiquitous organic compounds in the environment. In the present study, geometrical optimization and electrostatic potential calculations have been performed for 42 hal...Halogenated methyl-phenyl ethers (anisoles) are ubiquitous organic compounds in the environment. In the present study, geometrical optimization and electrostatic potential calculations have been performed for 42 halogenated anisoles at the HF/6-31 G^* level. A number of statistically based parameters have been obtained. By multiple regression method, linear relationships between the gas-chromatographic relative retention time (RRT) and structural descriptors have been established for the training set of 32 halogenated anisoles. The result showed that the parameters derived from electrostatic potentials (ESPs) together with the molecular volume (Vmc) could be well used to express the quantitative structure-RRT relationships of halogenated anisoles. The best two-variable regression model gives a correlation coefficient of 0.980 and a standard deviation of 0.07, and the leave-one-out cross-validated correlation coefficient is 0.975. The goodness of the model has been further validated through exploring the predictive power for the testing set of 10 halogenated anisoles.展开更多
A mild, one-pot procedure for the synthesis of vinyl ethers in good yields from 2-hydroxyalkyl phenyl selenides with primary or secondary organic halides has been developed.
Theoretical analysis corresponding to the diffusion and reaction kinetics in a chemical reaction between carbon dioxide and phenyl glycidyl ether solution is presented. Analytical expressions pertaining to the concent...Theoretical analysis corresponding to the diffusion and reaction kinetics in a chemical reaction between carbon dioxide and phenyl glycidyl ether solution is presented. Analytical expressions pertaining to the concentration of carbon dioxide (CO2), phenyl glycidyl ether solution (PGE) and flux are obtained in terms of reaction rate constants. In this paper, a powerful analytical method, called the Adomian decomposition method (ADM) is used to obtain approximate analytical solutions for nonlinear differential equations. Furthermore, in this work the numerical simulation of the problem is also reported using Scilab/Matlab program. An agreement between analytical and numerical results is noted.展开更多
The epoxide hydrolase gene(SpEH) from Sphingomonas sp. HXN-200 was synthesized and expressed in robust Escherichia coli cells that had a dual protection system. The enantioselectivity(E-value) of the recombinant SpEH ...The epoxide hydrolase gene(SpEH) from Sphingomonas sp. HXN-200 was synthesized and expressed in robust Escherichia coli cells that had a dual protection system. The enantioselectivity(E-value) of the recombinant SpEH was 7.7 and the yield of the remaining(R)-PGE was 24.3% for the hydrolysis of racemic phenyl glycidyl ether(rac-PGE). To improve the catalytic properties of SpEH, the site-directed mutagenesis was carried out based on homology modeling, sequence alignment and molecular docking. Six residues(V195, V196, F218,N226, Q312, and M332) near the active site were mutated to hydrophobic amino acids and the positive mutations were selected for combinatorial mutation. The optimal mutant SpEH^(V196A/N226A/M332A) had an enhanced E-value of 21.2 and a specific activity of 4.57 U·mg^-1-wet cells, which were 2.8-, and 2.3-fold higher than those of wild-type SpEH. The optimal temperature and p H for purified Sp EHV196 A/N226 A/M332 Ato catalyze the hydrolysis of rac-PGE were 25 ℃ and 7.0 with 200 U·mg^-1. The enantioselectivity and yield of the remaining(R)-PGE of E. coliSpEH^(V196A/N226A/M332A)increased from 7.7 to 21.2 and 24.3% to 40.9%, respectively. The molecular docking and kinetic parameter analyses showed that SpEH^(V196A/N226A/M332A) has a greater affinity toward(S)-PGE than(R)-PGE, and that it was more difficult for the O-atom of ASP170 to achieve the nucleophilic attack on the Cα of(R)-PGE, resulting in its improved enantioselectivity.展开更多
A new monomer of 4, 4-biphenyl-bis[4-phthalazin-1(2H)-one] was synthesized from biphenyl and phthalic anhydride, and a novel copoly(aryl ether ketone) (PPEK) was synthesized from 2, 2-bis(4-hydroxyphenyl)-propane (BPA...A new monomer of 4, 4-biphenyl-bis[4-phthalazin-1(2H)-one] was synthesized from biphenyl and phthalic anhydride, and a novel copoly(aryl ether ketone) (PPEK) was synthesized from 2, 2-bis(4-hydroxyphenyl)-propane (BPA), 4, 4'-biphenyl-bis-[4-phthalazin-1(2H)-one], 4, 4- difluorodiphenylketone (DFK). The monomer and copolymer were characterized by FT-IR and 1H-NMR. DSC and TGA were used to the novel polymer.展开更多
Reaction products of 2,4,6-tris(4-phenyl-phenoxy)-1,3,5-triazine derived from 4-phenylphenol cyanate ester and phenyl glycidyl ether were analyzed. In addition to an isocyanurate compound and an oxazolidone compound w...Reaction products of 2,4,6-tris(4-phenyl-phenoxy)-1,3,5-triazine derived from 4-phenylphenol cyanate ester and phenyl glycidyl ether were analyzed. In addition to an isocyanurate compound and an oxazolidone compound which were well known as reaction products of cyanate esters and epoxy resins, compounds with hybrid ring structure of cyanurate/isocyanurate were determined. Gibbs free energies of the compound having hybrid ring structure of cyanurate/isocyanurate with two isocyanurate moiety were found to be lower than that of the compound with cyanurate ring structure through calculations. Calculation data supported the existence of hybrid ring structure of cy-anurate/isocyanurate. It was revealed that isomerization from cyanurate to isocyanurate occurs via hybrid ring structure of cyanurate/isocyanurate in the reaction of aryl cyanurate and epoxy.展开更多
We report here a new strategy for revealing the Claisen rearrangement of allyl phenyl ether occurring in the gas phase by in situ GC/MS technique. The Claisen rearrangement has been observed when allyl phenyl ether pa...We report here a new strategy for revealing the Claisen rearrangement of allyl phenyl ether occurring in the gas phase by in situ GC/MS technique. The Claisen rearrangement has been observed when allyl phenyl ether passed through the capillary column at certain temperatures. The relative proportion of rearrangement products is dependent on the temperature of the capillary column and the substituents on the phenyl ring.展开更多
Two polymeric adsorbents, poly(methyl p-vinylbenzyl ether) and poly(phenyl p-vinylbenzyl ether), were synthesized from chloromethylated polystyrene. Their adsorption property for phenol in hexane solution was investig...Two polymeric adsorbents, poly(methyl p-vinylbenzyl ether) and poly(phenyl p-vinylbenzyl ether), were synthesized from chloromethylated polystyrene. Their adsorption property for phenol in hexane solution was investigated. The results showed that the two adsorbents adsorb phenol from hexane solution through hydrogen-bonding and π-π stacking interaction.展开更多
A phosphrous-containing poly(aryl ether ketone) was synthesized derived from bisphenol-A and bis[4-(4- fluorobenzoyl)phenyl] phenyl phosphine oxide (FPPPO) by nucleophilic substitution reaction. The structure of...A phosphrous-containing poly(aryl ether ketone) was synthesized derived from bisphenol-A and bis[4-(4- fluorobenzoyl)phenyl] phenyl phosphine oxide (FPPPO) by nucleophilic substitution reaction. The structure of the polymer was characterized by FT-IR, ^1H-NMR and ^31p-NMR. The thermal property of the PAEK was measured by DSC and TGA. The glass transition temperature (Tg) of the polymer was 205℃, and the 5% weight loss temperature under nitrogen was 475℃. Good solubility of the polymer in organic solvents, such as N-methylpyrrolidone, dimethylformamide, dimethylacetamide, dimethylsulfoxide and chloroalkanes was observed, flexible film was obtained from the polymer's CH2Cl2 solution. The limiting oxygen index (LOI) of the PAEK was 40, which indicated that organic phosphorus moiety can offer good flame retardant property to the polymer.展开更多
Fluoro-terminated hyperbranched(poly(aryl) ether ketone)(HPOP-PEEK-F) with 4-phenoxyphenyl side groups was prepared from A2(2-(4-phenoxyphenyl)-1,4-diphenol) and B3(1,3,5-tris[4-(4-flourobenzoyl) phenoxy]...Fluoro-terminated hyperbranched(poly(aryl) ether ketone)(HPOP-PEEK-F) with 4-phenoxyphenyl side groups was prepared from A2(2-(4-phenoxyphenyl)-1,4-diphenol) and B3(1,3,5-tris[4-(4-flourobenzoyl) phenoxy]benzene) with a function group ratio of 0.48:1(A2:B3).The chemical structure of HPOP-PEEK-F was confirmed by FTIR and()1H-NMR.The degree of branching(DB) of HPOP-PEEK-F was 0.66 determined by()1H-NMR measurements.The phenyl ethynyl-terminated hyperbranched poly(ether ether ketone)(HPOP-PEEK-PEP) was prepared by the end-capping approach.The HPOP-PEEK-PEP showed high glass transition temperature than HPOP-PEEK-F,but exhibited lower thermal stability.After cross-linking,the glass transition temperature,thermal stability and anti-chemical corrodibility of HPOP-PEEK-PEP were all improved.展开更多
基金the National Natural Science Foundation(20872148)。
文摘Seven new monoterpene phenyl ethers,namely micranthumnins A-G(1-7),were isolated from the stem bark of Illicium micranthum(Illiciaceae).Their structures were elucidated by comprehensive spectroscopic analyses including MS,IR,1D and 2D NMR.All compounds were evaluated for their anti-AChE activities.
基金This work was supported by the National Natural Science Foundation of China (No. 20502022) and the Ph.D. Fund of Ningbo ( No. 2004A610010)
文摘Halogenated methyl-phenyl ethers (anisoles) are ubiquitous organic compounds in the environment. In the present study, geometrical optimization and electrostatic potential calculations have been performed for 42 halogenated anisoles at the HF/6-31 G^* level. A number of statistically based parameters have been obtained. By multiple regression method, linear relationships between the gas-chromatographic relative retention time (RRT) and structural descriptors have been established for the training set of 32 halogenated anisoles. The result showed that the parameters derived from electrostatic potentials (ESPs) together with the molecular volume (Vmc) could be well used to express the quantitative structure-RRT relationships of halogenated anisoles. The best two-variable regression model gives a correlation coefficient of 0.980 and a standard deviation of 0.07, and the leave-one-out cross-validated correlation coefficient is 0.975. The goodness of the model has been further validated through exploring the predictive power for the testing set of 10 halogenated anisoles.
基金the Natural Science Foundation of Jiangxi Province(No.0420017)for financial support
文摘A mild, one-pot procedure for the synthesis of vinyl ethers in good yields from 2-hydroxyalkyl phenyl selenides with primary or secondary organic halides has been developed.
文摘Theoretical analysis corresponding to the diffusion and reaction kinetics in a chemical reaction between carbon dioxide and phenyl glycidyl ether solution is presented. Analytical expressions pertaining to the concentration of carbon dioxide (CO2), phenyl glycidyl ether solution (PGE) and flux are obtained in terms of reaction rate constants. In this paper, a powerful analytical method, called the Adomian decomposition method (ADM) is used to obtain approximate analytical solutions for nonlinear differential equations. Furthermore, in this work the numerical simulation of the problem is also reported using Scilab/Matlab program. An agreement between analytical and numerical results is noted.
基金the National Natural Science Foundation of China(21676104,21878105,21908070)the National Key Research and Development Program of China(2018YFC1603400,2018YFC1602100)+3 种基金the Key Research and Development Program of Guangdong Province(2019B020213001)the Science and Technology Program of Guangzhou(201904010360)the Fundamental Research Funds for the Central Universities(2019PY15,2019MS100)the China Postdoctoral Science Foundation(BX20180102)for partially funding this work。
文摘The epoxide hydrolase gene(SpEH) from Sphingomonas sp. HXN-200 was synthesized and expressed in robust Escherichia coli cells that had a dual protection system. The enantioselectivity(E-value) of the recombinant SpEH was 7.7 and the yield of the remaining(R)-PGE was 24.3% for the hydrolysis of racemic phenyl glycidyl ether(rac-PGE). To improve the catalytic properties of SpEH, the site-directed mutagenesis was carried out based on homology modeling, sequence alignment and molecular docking. Six residues(V195, V196, F218,N226, Q312, and M332) near the active site were mutated to hydrophobic amino acids and the positive mutations were selected for combinatorial mutation. The optimal mutant SpEH^(V196A/N226A/M332A) had an enhanced E-value of 21.2 and a specific activity of 4.57 U·mg^-1-wet cells, which were 2.8-, and 2.3-fold higher than those of wild-type SpEH. The optimal temperature and p H for purified Sp EHV196 A/N226 A/M332 Ato catalyze the hydrolysis of rac-PGE were 25 ℃ and 7.0 with 200 U·mg^-1. The enantioselectivity and yield of the remaining(R)-PGE of E. coliSpEH^(V196A/N226A/M332A)increased from 7.7 to 21.2 and 24.3% to 40.9%, respectively. The molecular docking and kinetic parameter analyses showed that SpEH^(V196A/N226A/M332A) has a greater affinity toward(S)-PGE than(R)-PGE, and that it was more difficult for the O-atom of ASP170 to achieve the nucleophilic attack on the Cα of(R)-PGE, resulting in its improved enantioselectivity.
基金This work is sponsored by the National Natural Science Foundation of China (No. 59473901).
文摘A new monomer of 4, 4-biphenyl-bis[4-phthalazin-1(2H)-one] was synthesized from biphenyl and phthalic anhydride, and a novel copoly(aryl ether ketone) (PPEK) was synthesized from 2, 2-bis(4-hydroxyphenyl)-propane (BPA), 4, 4'-biphenyl-bis-[4-phthalazin-1(2H)-one], 4, 4- difluorodiphenylketone (DFK). The monomer and copolymer were characterized by FT-IR and 1H-NMR. DSC and TGA were used to the novel polymer.
文摘Reaction products of 2,4,6-tris(4-phenyl-phenoxy)-1,3,5-triazine derived from 4-phenylphenol cyanate ester and phenyl glycidyl ether were analyzed. In addition to an isocyanurate compound and an oxazolidone compound which were well known as reaction products of cyanate esters and epoxy resins, compounds with hybrid ring structure of cyanurate/isocyanurate were determined. Gibbs free energies of the compound having hybrid ring structure of cyanurate/isocyanurate with two isocyanurate moiety were found to be lower than that of the compound with cyanurate ring structure through calculations. Calculation data supported the existence of hybrid ring structure of cy-anurate/isocyanurate. It was revealed that isomerization from cyanurate to isocyanurate occurs via hybrid ring structure of cyanurate/isocyanurate in the reaction of aryl cyanurate and epoxy.
文摘We report here a new strategy for revealing the Claisen rearrangement of allyl phenyl ether occurring in the gas phase by in situ GC/MS technique. The Claisen rearrangement has been observed when allyl phenyl ether passed through the capillary column at certain temperatures. The relative proportion of rearrangement products is dependent on the temperature of the capillary column and the substituents on the phenyl ring.
基金the National Natural Science Foundation of China(No.29974015)the Visiting Scholar Foundation of Key Lab.In University for the financial support
文摘Two polymeric adsorbents, poly(methyl p-vinylbenzyl ether) and poly(phenyl p-vinylbenzyl ether), were synthesized from chloromethylated polystyrene. Their adsorption property for phenol in hexane solution was investigated. The results showed that the two adsorbents adsorb phenol from hexane solution through hydrogen-bonding and π-π stacking interaction.
基金This work was supported by the National Natural Science Foundation of China(No.50203008).
文摘A phosphrous-containing poly(aryl ether ketone) was synthesized derived from bisphenol-A and bis[4-(4- fluorobenzoyl)phenyl] phenyl phosphine oxide (FPPPO) by nucleophilic substitution reaction. The structure of the polymer was characterized by FT-IR, ^1H-NMR and ^31p-NMR. The thermal property of the PAEK was measured by DSC and TGA. The glass transition temperature (Tg) of the polymer was 205℃, and the 5% weight loss temperature under nitrogen was 475℃. Good solubility of the polymer in organic solvents, such as N-methylpyrrolidone, dimethylformamide, dimethylacetamide, dimethylsulfoxide and chloroalkanes was observed, flexible film was obtained from the polymer's CH2Cl2 solution. The limiting oxygen index (LOI) of the PAEK was 40, which indicated that organic phosphorus moiety can offer good flame retardant property to the polymer.
文摘Fluoro-terminated hyperbranched(poly(aryl) ether ketone)(HPOP-PEEK-F) with 4-phenoxyphenyl side groups was prepared from A2(2-(4-phenoxyphenyl)-1,4-diphenol) and B3(1,3,5-tris[4-(4-flourobenzoyl) phenoxy]benzene) with a function group ratio of 0.48:1(A2:B3).The chemical structure of HPOP-PEEK-F was confirmed by FTIR and()1H-NMR.The degree of branching(DB) of HPOP-PEEK-F was 0.66 determined by()1H-NMR measurements.The phenyl ethynyl-terminated hyperbranched poly(ether ether ketone)(HPOP-PEEK-PEP) was prepared by the end-capping approach.The HPOP-PEEK-PEP showed high glass transition temperature than HPOP-PEEK-F,but exhibited lower thermal stability.After cross-linking,the glass transition temperature,thermal stability and anti-chemical corrodibility of HPOP-PEEK-PEP were all improved.