Chem. J. Chinese Universities ›› 2014, Vol. 35 ›› Issue (12): 2706.doi: 10.7503/cjcu20140722
• Polymer Chemistry • Previous Articles Next Articles
ZHANG Min1,*(), JING Jingjing1, LI Chengtao1, WANG Hui1, MA Xiaoyan2
Received:
2014-08-01
Online:
2014-12-10
Published:
2014-10-14
Contact:
ZHANG Min
E-mail:yanjiushi206@163.com
Supported by:
CLC Number:
TrendMD:
ZHANG Min, JING Jingjing, LI Chengtao, WANG Hui, MA Xiaoyan. Performance of PBS-based Copolymer Containing Different Ether Bond and Its Enzymatic Degradation by Molecular Simulation†[J]. Chem. J. Chinese Universities, 2014, 35(12): 2706.
Polymer | n(BS):n(TDGS) | PDIb | Polymer | n(BS):n(DEGS) | PDIb | ||||
---|---|---|---|---|---|---|---|---|---|
PBS | 100:0 | 0 | 71200 | 2.05 | PBS-DEGS5 | 95:5 | 4.64 | 64800 | 1.71 |
PBS-TDGS5 | 95:5 | 5.70 | 69300 | 1.98 | PBS-DEGS10 | 90:10 | 11.55 | 68700 | 1.82 |
PBS-TDGS10 | 90:10 | 10.50 | 65200 | 1.93 | PBS-DEGS15 | 85:15 | 14.32 | 70400 | 1.67 |
PBS-TDGS15 | 85:15 | 15.45 | 69200 | 1.78 | PBS-DEGS20 | 80:20 | 19.34 | 73200 | 1.85 |
PBS-TDGS20 | 80:20 | 21.32 | 64300 | 2.09 |
Table 1 Composition and relative molecular weight of copolymers
Polymer | n(BS):n(TDGS) | PDIb | Polymer | n(BS):n(DEGS) | PDIb | ||||
---|---|---|---|---|---|---|---|---|---|
PBS | 100:0 | 0 | 71200 | 2.05 | PBS-DEGS5 | 95:5 | 4.64 | 64800 | 1.71 |
PBS-TDGS5 | 95:5 | 5.70 | 69300 | 1.98 | PBS-DEGS10 | 90:10 | 11.55 | 68700 | 1.82 |
PBS-TDGS10 | 90:10 | 10.50 | 65200 | 1.93 | PBS-DEGS15 | 85:15 | 14.32 | 70400 | 1.67 |
PBS-TDGS15 | 85:15 | 15.45 | 69200 | 1.78 | PBS-DEGS20 | 80:20 | 19.34 | 73200 | 1.85 |
PBS-TDGS20 | 80:20 | 21.32 | 64300 | 2.09 |
Fig.4 Molecular structures of copolymers(carbon atoms of two chains in blue and green) (A) PBS; (B) PBS-TDGS10; (C) PBS-TDGS20; (D) PBS-DEGS10; (E) PBS-DEGS20.
Fig.5 TGA(A) and DTG(B) curves of copolymers a. PBS; b. PBS-DEGS5; c. PBS-DEGS10; d. PBS-DEGS15; e. PBS-DEGS20;b'. PBS-TDGS5; c'. PBS-TDGS10; d'. PBS-TDGS15; e'. PBS-TDGS20.
Sample | Td,5%/℃ | Tmax/℃ | Tm/℃ | ΔHm/(J·g-1) | Xc(%) | Tc/℃ | |
---|---|---|---|---|---|---|---|
DSC | WXRD | ||||||
PBS | 310.41 | 310.41 | 112.00 | 70.20 | 62.68 | 59.34 | 77.90 |
PBS-TDGS5 | 304.62 | 380.32 | 110.77 | 79.86 | 58.30 | 54.29 | 73.90 |
PBS-TDGS10 | 309.08 | 378.89 | 105.96 | 67.23 | 51.03 | 48.25 | 66.98 |
PBS-TDGS15 | 307.85 | 376.98 | 100.48 | 45.45 | 40.58 | 43.34 | 62.17 |
PBS-TDGS20 | 303.17 | 369.80 | 98.57 | 37.70 | 33.66 | 38.14 | 58.88 |
PBS-DEGS5 | 316.11 | 381.28 | 111.05 | 58.09 | 51.87 | 54.39 | 75.35 |
PBS-DEGS10 | 305.97 | 378.41 | 104.33 | 47.61 | 42.51 | 43.54 | 67.85 |
PBS-DEGS15 | 320.16 | 380.32 | 103.33 | 50.32 | 44.90 | 46.72 | 64.53 |
PBS-DEGS20 | 319.64 | 376.88 | 96.69 | 40.54 | 36.60 | 45.12 | 56.34 |
Table 2 Thermal properties of the synthesized copolymers
Sample | Td,5%/℃ | Tmax/℃ | Tm/℃ | ΔHm/(J·g-1) | Xc(%) | Tc/℃ | |
---|---|---|---|---|---|---|---|
DSC | WXRD | ||||||
PBS | 310.41 | 310.41 | 112.00 | 70.20 | 62.68 | 59.34 | 77.90 |
PBS-TDGS5 | 304.62 | 380.32 | 110.77 | 79.86 | 58.30 | 54.29 | 73.90 |
PBS-TDGS10 | 309.08 | 378.89 | 105.96 | 67.23 | 51.03 | 48.25 | 66.98 |
PBS-TDGS15 | 307.85 | 376.98 | 100.48 | 45.45 | 40.58 | 43.34 | 62.17 |
PBS-TDGS20 | 303.17 | 369.80 | 98.57 | 37.70 | 33.66 | 38.14 | 58.88 |
PBS-DEGS5 | 316.11 | 381.28 | 111.05 | 58.09 | 51.87 | 54.39 | 75.35 |
PBS-DEGS10 | 305.97 | 378.41 | 104.33 | 47.61 | 42.51 | 43.54 | 67.85 |
PBS-DEGS15 | 320.16 | 380.32 | 103.33 | 50.32 | 44.90 | 46.72 | 64.53 |
PBS-DEGS20 | 319.64 | 376.88 | 96.69 | 40.54 | 36.60 | 45.12 | 56.34 |
Fig.6 Enzymatic degradation(A) and kinetics curves(B, C) of copolymers (A) a. PBS; b. PBS-TDGS5; c. PBS-TDGS10; d. PBS-TDGS15; e. PBS-TDGS20; f. PBS-DEGS5; g. PBS-DEGS10; h PBS-DEGS15; i. PBS-DEGS20. (B) a. PBS, k=0.345; b. PBS-TDGS5, k=0.370; c. PBS-TDGS10, k=0.446; d. PBS-TDGS15, k=0.940; e. PBS-TDGS20, k=1.373. (C) a. PBS, k=0.345; b. PBS-DEGS5, k=0.454; c. PBS-DEGS10, k=0.581; d. PBS-DEGS15, k=1.394; e. PBS-DEGS20, k=1.395.
Ligand | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) |
---|---|---|---|---|---|---|
TDGS-TDG | -13.77 | -34.98 | -33.97 | -1.51 | -9.50 | 21.21 |
DEGS-DEG | -18.66 | -39.83 | -39.08 | -1.26 | -13.85 | 21.21 |
Table 3 Docking results of TDGS-TDG and DEGS-DEG with the Auto Dock program
Ligand | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) | (kJ·mol-1) |
---|---|---|---|---|---|---|
TDGS-TDG | -13.77 | -34.98 | -33.97 | -1.51 | -9.50 | 21.21 |
DEGS-DEG | -18.66 | -39.83 | -39.08 | -1.26 | -13.85 | 21.21 |
Fig.9 Surface of the top-ranking docked conformation of compounds TDGS(carbon atoms in light blue) and DEGS(light brown) combined with active site of N435 lipase
[1] | Gigli M., Negroni A., Zanaroli G., Lotti N., Fava F., Munari A., React. Funct. Polym., 2013, 73(5), 764—771 |
[2] | Jiang T., He F., Zhuo R. X., Polym. Degrad. Stab., 2013, 98(1), 325—330 |
[3] | Hwang S. Y., Yoo E. S., Im S. S., Polym. J., 2012, 44(12), 1179—1190 |
[4] | Liu Y. J., Mao L., Chem. J. Chinese Universities, 2013, 34(12), 2903—2910 |
(刘跃军, 毛龙. 高等学校化学学报, 2013, 34(12), 2903—2910) | |
[5] | Zhu Q. Y., He Y. S., Zeng J. B., Huang Q., Wang Y. Z., Mater. Chem. Phys., 2011, 130(3), 943—949 |
[6] | Zhang S. P., Wang D., Dang Y., Shi S. Q., Gong Y. K., Chem. J. Chinese Universities, 2012, 33(2), 416—420 |
(张世平, 王丹,党媛, 史肃青, 宫永宽. 高等学校化学学报, 2012, 33(2), 416—420) | |
[7] | Frohberga P., Pietzschb M., Ulricha J., Chem. Eng. Res. Des., 2010, 88(9), 1148—1152 |
[8] | Díaz-Celorio E., Franco L., Rodríguez-Galán A., Eur. Polym. J., 2012, 48(1), 60—73 |
[9] | Ding M. L., Zhang M., Yang J.M., Qiu J. H., Biodegradation,2012, 23(1), 127—132 |
[10] | Hwang S. Y., Jin X. Y., Yoo E. S., Im S. S., Polymer,2011, 52(13), 2784—2791 |
[11] | Zhou X. M., Mater. Sci. Eng, C, 2012, 32(8), 2459—2463 |
[12] | Soulis S., Triantou D., Weidner S., Falkenhagen J., Simitzis J., Polym. Degrad. Stab., 2012, 97(11), 2091—2103 |
[13] | Gigli M., Lotti N., Gazzano M., Finelli L., Munari A., React. Funct. Polym., 2012, 72(5), 303—310 |
[14] | Zhang M., Ding M. L., Zhang T., Yang J. M., Chem. J. Chinese Universities, 2010, 31(3), 612—615 |
(张敏, 丁明亮, 张婷, 杨金明. 高等学校化学学报, 2010, 31(3), 612—615) | |
[15] | Luic M., Sytefanic Z., Ceilinger I., Hodoscek M., Janezic D., Lenac T., Asler L. I., Syepac D., Tomic S., J. Phys. Chem. B, 2008, 112(16), 4876—4883 |
[16] | Krieger E., Koraimann G., Vriend G., Proteins,2002, 47(3), 393—402 |
[17] | Krieger E., Darden T., Nabuurs S., Finkelstein A., Proteins,2004, 57(4), 678—683 |
[18] | Morris G. M., Goodsell D. S., Halliday R. S., Huey R., Hart W. E., Belew R. K., Olson A. J., Autodock, Version 4.0.1, The Scripps Research Institute, La Jolla, CA, USA, 2007 |
[19] | DeLano W. L., The PyMOL Molecular Graphics System, Revision 0.99, DeLano Scientific, San Carlos, CA, USA, 2002 |
[20] | Gigli M., Lotti N., Gazzano M., Finelli L. Munari A., Applied Polymer, 2012, 126(2), 686—696 |
[21] | Lotti N., Siracusa V., Finelli L., Marchese P., Munari A., Eur. Polym. J., 2006, 42(12), 3374—3382 |
[22] | Díaz A., Franco L., Estrany F., del Valle L. J., Puiggalí J., Polym. Degrad. Stab., 2014, 99, 80—91 |
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