The manufacturing process of poly(vinylidene fluoride)microporous films containing through flow channels and permeable to liquids has been elaborated.The process is based on polymer melt extrusion with subsequent stag...The manufacturing process of poly(vinylidene fluoride)microporous films containing through flow channels and permeable to liquids has been elaborated.The process is based on polymer melt extrusion with subsequent stages of annealing,uniaxial extensions("cold"and"hot"drawing),and thermal stabilization.The effect of orientation parameters(melt draw ratio and extension degrees)on overall porosity,permeability,morphology,and content of polar piezoactiveβ-phase in crystalline structure of the films was investigated by filtration porosimetry,sorptometry,scanning electron microscopy,X-ray scattering,and mechanical properties measurements.It is shown that the through pores were formed by a percolation mechanism.It is observed that permeability and theβ-phase content increased with the growth of extension degree at the pore formation stages but the portion ofβ-crystallites decreased with increasing melt draw ratio at extrusion,which permitted to regulate the combination of through permeability and piezoactivity values by variation of the preparation process parameters.展开更多
Novel boron-containing bioengineering copoly- mer and its α-hydoxy-ω-methoxy-poly(ethy- lene oxide (PEO) macrobranched derivatives were synthesized by (1) partially amidolysis of poly(maleic anhydride-alt-methyl vin...Novel boron-containing bioengineering copoly- mer and its α-hydoxy-ω-methoxy-poly(ethy- lene oxide (PEO) macrobranched derivatives were synthesized by (1) partially amidolysis of poly(maleic anhydride-alt-methyl vinyl ether) w?th ethanolamine ester of diphenylboronic acid and (2) esterification of synthesized B-con- taining copolymers with PEO. They had a com- bination of hydrophilic/hydrophobic linkages, free carboxylic groups, positive charges and an ionized organoboron linkage as antitumor sites, along with an ability to interact with HeLa cells. The structure, composition and properties (cy- totoxicity and antitumor activity) of synthe- sized copolymers were investigated. In vitro cytotoxicity results, obtained by the fluore scence microscopy measurements indicate that unlike the virgin copolymer, boron-containing and PEO macrobranched derivatives exhibit higher antitumor activity. It was found that organoboron copolymer exhibits the most apo- ptotic and necrotic effects against HeLa cells whereas a minor effect relative to cancer cells was observed on L929 Fibroblast cells.展开更多
A three-descriptor quantitative structure-property relationship （QSPR） model, based on the support vector machine （SVM） algorithm, was constructed to predict the glass transition temperatures （Tgs） ofpolyarylate...A three-descriptor quantitative structure-property relationship （QSPR） model, based on the support vector machine （SVM） algorithm, was constructed to predict the glass transition temperatures （Tgs） ofpolyarylates with complex structures. A total of 50 polyarylates were randomly divided into three sets, viz., the training set （30 polymers）, validation set （10 polymers） and prediction set （10 polymers）. By adjusting various parameters by trial and error, the final optimum SVM model based on Austin Model 1 （AM1） calculation is a polynomial kernel with the parameters C of 100, ε of 1.00E-05 and d of 2. The root-mean-square （RMS） errors obtained from the training set, validation set and prediction set are 19.4, 12.8 and 15.5 K, respectively. Research results show that the proposed SVM model has better statistical quality than the previous models. Thus, applying the SVM algorithm to predict Tgs of polymers is feasible.展开更多
Two quantitative structure-property relationship （QSPR） models were developed to correlate radical chemical structure and the reactivity parameters u and v, respectively, of the revised patterns scheme for the predi...Two quantitative structure-property relationship （QSPR） models were developed to correlate radical chemical structure and the reactivity parameters u and v, respectively, of the revised patterns scheme for the prediction of monomers reactivity ratios. The radicals with structure C1H3--C2HR3· （formed from C1H2=C2HR3 and Ho） were calculated using the UB3LYP density functional theory （DFF） methods with a 6-31G（d） basis set. The calculated quantum chemical descriptors were used to construct QSPR models for the reactivity parameters （u, v） by applying the genetic algorithm （GA） method, together with multiple linear regression （MLR） analysis. Correlation coeffi- cients for the training sets are 0.941 for the parameter u and 0.947 for the parameter v; correlation coefficients for the test sets are 0.947 for u and 0.934 for v. The results suggest that calculating quantum chemical descriptors from radicals to develop models for parameters u and v is feasible.展开更多
Core-shell structured polyacrylic（named CSSP） impact modifiers consisting of a rubbery poly（n-butyl acrylate） core and a rigid poly（methyl methacrylate） shell with a size of about 353 nm were prepared by seed em...Core-shell structured polyacrylic（named CSSP） impact modifiers consisting of a rubbery poly（n-butyl acrylate） core and a rigid poly（methyl methacrylate） shell with a size of about 353 nm were prepared by seed emulsion polymerization. The CSSP modifiers with different core-shell weight ratios（90/10, 85/15, 80/20, 75/25, 70/30, 65/35 and 60/40） were used to modify the toughness of poly（butylene terephthalate）（PBT） by melt blending. It was found that the polymerization had a very high instantaneous conversion（ 95.7%） and overall conversion（99.7%）. The morphology of the core-shell structure was confirmed by means of transmission electron microscopy. Scanning electron microscopy was used to observe the morphology of the fractured surfaces. Differential scanning calorimeter was used to study the crystallization behaviors of PBT/CSSP blends. The dynamic mechanical analyses of PBT/CSSP blends showed two merged transition peaks of PBT matrix, with the presence of CSSP core-shell structured modifier, that were responsible for the improvement of PBT toughness. The results indicated that the notch impact strength of PBT/CSSP blends with a core-shell weight ratio of 75/25 was almost 8.64 times greater than that of pure PBT, and the mechanical properties agreed well with the SEM observation.展开更多
A pyridine-based diacid was synthesized via nucleophilic substitution reaction of 4-hydroxy benzoic acid with 2,6- dichloropyridine in the presence of potassium carbonate. The diacid was characterized using FT-IR and ...A pyridine-based diacid was synthesized via nucleophilic substitution reaction of 4-hydroxy benzoic acid with 2,6- dichloropyridine in the presence of potassium carbonate. The diacid was characterized using FT-IR and 1H-NMR spectroscopic methods and also with elemental analysis. Polycondensation reaction of the diacid with different diols including 1,4-dihydroxy benzene, 1,5-dihydroxy naphthalene, bis-phenol A and bis-phenol-P resulted in preparation of pyridine-based poly（ether-ester）s. The polymers were characterized and their physical and thermal properties including inherent viscosity, molecular weight, solubility, thermal stability, thermal behavior and crystallinity were studied. They revealed high heat-resistance and improved solubility in polar solvents. Structure-property relations for the prepared polyester were also studied.展开更多
The preparation of new types of poly(imide-urea)s (PIUs) with high thermal stability and improved solubility was investigated. Three series of aromatic poly(imide-urea)s (PIUOa-c, PIUSa-c, and PIUNa-c) bearing pendent...The preparation of new types of poly(imide-urea)s (PIUs) with high thermal stability and improved solubility was investigated. Three series of aromatic poly(imide-urea)s (PIUOa-c, PIUSa-c, and PIUNa-c) bearing pendent benzoxazole, benzothiazole or benzimidazole rings were prepared by one-pot polycondensation reaction of three bis(imide-carboxylic acid)s, 2-[3,5-bis(N-trimellitimidoyl)-phenyl]benzoxazole (1O), 2-[3,5-bis(N- trimellitimidoyl)-phenyl]benzothiazole (1S), or 2-[3,5-bis(N-trimellitimidoyl)-phenyl]benzimidazole (1N) with various kinds of aromatic diamines (a-c). The effects of the benzazole pendent groups on the polymer properties such as solubility and thermal stability were investigated by comparison of the polymers. All of the resulting polymers exhibited excellent solubility in common polar solvents. The glass transition temperature of the polymers determined by DSC thermograms were in the range 192℃ - 236℃. The temperatures at 10% weight loss from their TGA curves were found to be in the range 390℃ - 441℃ in nitrogen.展开更多
文摘The manufacturing process of poly(vinylidene fluoride)microporous films containing through flow channels and permeable to liquids has been elaborated.The process is based on polymer melt extrusion with subsequent stages of annealing,uniaxial extensions("cold"and"hot"drawing),and thermal stabilization.The effect of orientation parameters(melt draw ratio and extension degrees)on overall porosity,permeability,morphology,and content of polar piezoactiveβ-phase in crystalline structure of the films was investigated by filtration porosimetry,sorptometry,scanning electron microscopy,X-ray scattering,and mechanical properties measurements.It is shown that the through pores were formed by a percolation mechanism.It is observed that permeability and theβ-phase content increased with the growth of extension degree at the pore formation stages but the portion ofβ-crystallites decreased with increasing melt draw ratio at extrusion,which permitted to regulate the combination of through permeability and piezoactivity values by variation of the preparation process parameters.
文摘Novel boron-containing bioengineering copoly- mer and its α-hydoxy-ω-methoxy-poly(ethy- lene oxide (PEO) macrobranched derivatives were synthesized by (1) partially amidolysis of poly(maleic anhydride-alt-methyl vinyl ether) w?th ethanolamine ester of diphenylboronic acid and (2) esterification of synthesized B-con- taining copolymers with PEO. They had a com- bination of hydrophilic/hydrophobic linkages, free carboxylic groups, positive charges and an ionized organoboron linkage as antitumor sites, along with an ability to interact with HeLa cells. The structure, composition and properties (cy- totoxicity and antitumor activity) of synthe- sized copolymers were investigated. In vitro cytotoxicity results, obtained by the fluore scence microscopy measurements indicate that unlike the virgin copolymer, boron-containing and PEO macrobranched derivatives exhibit higher antitumor activity. It was found that organoboron copolymer exhibits the most apo- ptotic and necrotic effects against HeLa cells whereas a minor effect relative to cancer cells was observed on L929 Fibroblast cells.
基金supported by the Open Project Program of Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education,China (No.10HJYH06)
文摘A three-descriptor quantitative structure-property relationship （QSPR） model, based on the support vector machine （SVM） algorithm, was constructed to predict the glass transition temperatures （Tgs） ofpolyarylates with complex structures. A total of 50 polyarylates were randomly divided into three sets, viz., the training set （30 polymers）, validation set （10 polymers） and prediction set （10 polymers）. By adjusting various parameters by trial and error, the final optimum SVM model based on Austin Model 1 （AM1） calculation is a polynomial kernel with the parameters C of 100, ε of 1.00E-05 and d of 2. The root-mean-square （RMS） errors obtained from the training set, validation set and prediction set are 19.4, 12.8 and 15.5 K, respectively. Research results show that the proposed SVM model has better statistical quality than the previous models. Thus, applying the SVM algorithm to predict Tgs of polymers is feasible.
基金Project supported by the Open Project Program of Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, China （No. 10HJYH06） and the National Natural Science Foundation of China （No. 20972045）.
文摘Two quantitative structure-property relationship （QSPR） models were developed to correlate radical chemical structure and the reactivity parameters u and v, respectively, of the revised patterns scheme for the prediction of monomers reactivity ratios. The radicals with structure C1H3--C2HR3· （formed from C1H2=C2HR3 and Ho） were calculated using the UB3LYP density functional theory （DFF） methods with a 6-31G（d） basis set. The calculated quantum chemical descriptors were used to construct QSPR models for the reactivity parameters （u, v） by applying the genetic algorithm （GA） method, together with multiple linear regression （MLR） analysis. Correlation coeffi- cients for the training sets are 0.941 for the parameter u and 0.947 for the parameter v; correlation coefficients for the test sets are 0.947 for u and 0.934 for v. The results suggest that calculating quantum chemical descriptors from radicals to develop models for parameters u and v is feasible.
基金financially supported by Program for Changjiang Scholars and Innovative Research Team in University-IRT13060Key Lab for Micro-and Nano-Scale Boron Nitride Materials in Hebei Province
文摘Core-shell structured polyacrylic（named CSSP） impact modifiers consisting of a rubbery poly（n-butyl acrylate） core and a rigid poly（methyl methacrylate） shell with a size of about 353 nm were prepared by seed emulsion polymerization. The CSSP modifiers with different core-shell weight ratios（90/10, 85/15, 80/20, 75/25, 70/30, 65/35 and 60/40） were used to modify the toughness of poly（butylene terephthalate）（PBT） by melt blending. It was found that the polymerization had a very high instantaneous conversion（ 95.7%） and overall conversion（99.7%）. The morphology of the core-shell structure was confirmed by means of transmission electron microscopy. Scanning electron microscopy was used to observe the morphology of the fractured surfaces. Differential scanning calorimeter was used to study the crystallization behaviors of PBT/CSSP blends. The dynamic mechanical analyses of PBT/CSSP blends showed two merged transition peaks of PBT matrix, with the presence of CSSP core-shell structured modifier, that were responsible for the improvement of PBT toughness. The results indicated that the notch impact strength of PBT/CSSP blends with a core-shell weight ratio of 75/25 was almost 8.64 times greater than that of pure PBT, and the mechanical properties agreed well with the SEM observation.
文摘A pyridine-based diacid was synthesized via nucleophilic substitution reaction of 4-hydroxy benzoic acid with 2,6- dichloropyridine in the presence of potassium carbonate. The diacid was characterized using FT-IR and 1H-NMR spectroscopic methods and also with elemental analysis. Polycondensation reaction of the diacid with different diols including 1,4-dihydroxy benzene, 1,5-dihydroxy naphthalene, bis-phenol A and bis-phenol-P resulted in preparation of pyridine-based poly（ether-ester）s. The polymers were characterized and their physical and thermal properties including inherent viscosity, molecular weight, solubility, thermal stability, thermal behavior and crystallinity were studied. They revealed high heat-resistance and improved solubility in polar solvents. Structure-property relations for the prepared polyester were also studied.
文摘The preparation of new types of poly(imide-urea)s (PIUs) with high thermal stability and improved solubility was investigated. Three series of aromatic poly(imide-urea)s (PIUOa-c, PIUSa-c, and PIUNa-c) bearing pendent benzoxazole, benzothiazole or benzimidazole rings were prepared by one-pot polycondensation reaction of three bis(imide-carboxylic acid)s, 2-[3,5-bis(N-trimellitimidoyl)-phenyl]benzoxazole (1O), 2-[3,5-bis(N- trimellitimidoyl)-phenyl]benzothiazole (1S), or 2-[3,5-bis(N-trimellitimidoyl)-phenyl]benzimidazole (1N) with various kinds of aromatic diamines (a-c). The effects of the benzazole pendent groups on the polymer properties such as solubility and thermal stability were investigated by comparison of the polymers. All of the resulting polymers exhibited excellent solubility in common polar solvents. The glass transition temperature of the polymers determined by DSC thermograms were in the range 192℃ - 236℃. The temperatures at 10% weight loss from their TGA curves were found to be in the range 390℃ - 441℃ in nitrogen.
