The application of computational chemistry and chemometrics to developing a method for online monitoring of polymer degradation in the manufacture of bioresorbable medical implants

Darren A. Whitaker, Fraser Buchanan, Domhnall Lennon, Mark Billham, Marion McAfee

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

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.

Original languageEnglish
Title of host publicationLife System Modeling and Simulation - International Conference on Life System Modeling and Simulation, LSMS 2014 and International Conference on Intelligent Computing for Sustainable Energy and Environment, ICSEE 2014, Proceedings
EditorsShiwei Ma, Li Jia, Xin Li, Ling Wang, Xin Sun, Huiyu Zhou
PublisherSpringer Verlag
Pages215-225
Number of pages11
ISBN (Electronic)9783662452820
DOIs
Publication statusPublished - 2014

Publication series

NameCommunications in Computer and Information Science
Volume461
ISSN (Print)1865-0929
ISSN (Electronic)1865-0937

Keywords

  • Bioresorbable polymer
  • Chemometrics
  • Computational chemistry
  • IR spectroscopy
  • PLA

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