Abstract
Bioresorbable polymers such as PLA have an important role to play in the development of temporary implantable medical devices with significant benefits over traditional therapies. However, development of new devices is hindered by high manufacturing costs associated with difficulties in processing the material. A major problem is the lack of insight on material degradation during processing. In this work, a method of quantifying degradation of PLA using IR spectroscopy coupled with computational chemistry and chemometric modeling is examined. It is shown that the method can predict the quantity of degradation products in solid-state samples with reasonably good accuracy, indicating the potential to adapt the method to developing an on-line sensor for monitoring PLA degradation in real-time during processing.
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References
Taubner, V., Shishoo, R.: Influence of processing parameters on the degradation of poly(L-lactide) during extrusion. J. Appl. Polym. Sci. 79, 2128–2135 (2001)
Paakinaho, K., Ellä, V., Syrjälä, S., Kellomäki, M.: Melt spinning of poly(l/d)lactide 96/4: Effects of molecular weight and melt processing on hydrolytic degradation. Polym. Degrad. Stab. 94, 438–442 (2009)
Ellä, V., Nikkola, L., Kellomäki, M.: Process-induced monomer on a medical-grade polymer and its effect on short-term hydrolytic degradation. J. Appl. Polym. Sci. 119, 2996–3003 (2011)
Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., Windus, T.L., Dupuis, M., Montgomery, J.A.: General atomic and molecular electronic structure system. J. Comput. Chem. 14, 1347–1363 (1993)
Dunning, T.H.: Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. J. Chem. Phys. 90, 1007 (1989)
Kendall, R.A., Dunning, T.H., Harrison, R.J.: Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions. J. Chem. Phys. 96, 6796 (1992)
Brauer, B., Pincu, M., Buch, V., Bar, I., Simons, J.P., Gerber, R.B.: Vibrational spectra of α-glucose, β-glucose, and sucrose: anharmonic calculations and experiment. J. Phys. Chem. A. 115, 5859–5872 (2011)
Pele, L., Šebek, J., Potma, E.O., Benny Gerber, R.: Raman and IR spectra of butane: Anharmonic calculations and interpretation of room temperature spectra. Chem. Phys. Lett. 515, 7–12 (2011)
R Core Team: R: A Language for Statistical Computing. R Found. Stat. Comput. (2013)
RStudio: RStudio: Intergrated Development Environment for R (2013)
Venables, W.N., Ripley, B.D.: Modern Applied Statistics with S. Springer, New York (2002)
Van Hummel, G.J., Harkema, S., Kohn, F.E., Feijen, J.: Structure of 3,6-dimethyl-1,4-dioxane-2,5-dione [D-,D-(L-,L-)lactide]. Acta Crystallogr. Sect. B Struct. Crystallogr. Cryst. Chem. 38, 1679–1681 (1982)
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Whitaker, D.A., Buchanan, F., Lennon, D., Billham, M., McAfee, M. (2014). The Application of Computational Chemistry and Chemometrics to Developing a Method for Online Monitoring of Polymer Degradation in the Manufacture of Bioresorbable Medical Implants. In: Ma, S., Jia, L., Li, X., Wang, L., Zhou, H., Sun, X. (eds) Life System Modeling and Simulation. ICSEE LSMS 2014 2014. Communications in Computer and Information Science, vol 461. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-45283-7_23
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DOI: https://doi.org/10.1007/978-3-662-45283-7_23
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