A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships
Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In t...
| Main Authors: | , , , , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
Elsevier
2016
|
| Online Access: | http://hdl.handle.net/1721.1/101439 https://orcid.org/0000-0002-4173-9659 https://orcid.org/0000-0002-6601-9199 |
| _version_ | 1811076040773074944 |
|---|---|
| author | Gronau, Greta Krishnaji, Sreevidhya T. Kinahan, Michelle E. Giesa, Tristan Wong, Joyce Y. Kaplan, David L. Buehler, Markus J |
| author2 | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Gronau, Greta Krishnaji, Sreevidhya T. Kinahan, Michelle E. Giesa, Tristan Wong, Joyce Y. Kaplan, David L. Buehler, Markus J |
| author_sort | Gronau, Greta |
| collection | MIT |
| description | Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. |
| first_indexed | 2024-09-23T10:15:10Z |
| format | Article |
| id | mit-1721.1/101439 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T10:15:10Z |
| publishDate | 2016 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | mit-1721.1/1014392022-09-26T16:46:35Z A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships Gronau, Greta Krishnaji, Sreevidhya T. Kinahan, Michelle E. Giesa, Tristan Wong, Joyce Y. Kaplan, David L. Buehler, Markus J Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Massachusetts Institute of Technology. Laboratory for Atomistic and Molecular Mechanics Gronau, Greta Giesa, Tristan Buehler, Markus J. Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. National Institutes of Health (U.S.) (U01 EB014976) National Science Foundation (U.S.) United States. Dept. of Defense (United States. Air Force Office of Scientific Research) United States. Dept. of Defense (Multidisciplinary University Research Initiative) German National Academic Foundation Dr. Jurgen-Ulderup-Foundation 2016-03-03T17:54:32Z 2016-03-03T17:54:32Z 2012-08 2012-05 Article http://purl.org/eprint/type/JournalArticle 01429612 1878-5905 http://hdl.handle.net/1721.1/101439 Gronau, Greta, Sreevidhya T. Krishnaji, Michelle E. Kinahan, Tristan Giesa, Joyce Y. Wong, David L. Kaplan, and Markus J. Buehler. “A Review of Combined Experimental and Computational Procedures for Assessing Biopolymer Structure–process–property Relationships.” Biomaterials 33, no. 33 (November 2012): 8240–8255. https://orcid.org/0000-0002-4173-9659 https://orcid.org/0000-0002-6601-9199 en_US http://dx.doi.org/10.1016/j.biomaterials.2012.06.054 Biomaterials Creative Commons Attribution-NonCommercial-NoDerivs License http://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Elsevier PMC |
| spellingShingle | Gronau, Greta Krishnaji, Sreevidhya T. Kinahan, Michelle E. Giesa, Tristan Wong, Joyce Y. Kaplan, David L. Buehler, Markus J A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships |
| title | A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships |
| title_full | A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships |
| title_fullStr | A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships |
| title_full_unstemmed | A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships |
| title_short | A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships |
| title_sort | review of combined experimental and computational procedures for assessing biopolymer structure process property relationships |
| url | http://hdl.handle.net/1721.1/101439 https://orcid.org/0000-0002-4173-9659 https://orcid.org/0000-0002-6601-9199 |
| work_keys_str_mv | AT gronaugreta areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT krishnajisreevidhyat areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT kinahanmichellee areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT giesatristan areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT wongjoycey areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT kaplandavidl areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT buehlermarkusj areviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT gronaugreta reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT krishnajisreevidhyat reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT kinahanmichellee reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT giesatristan reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT wongjoycey reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT kaplandavidl reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships AT buehlermarkusj reviewofcombinedexperimentalandcomputationalproceduresforassessingbiopolymerstructureprocesspropertyrelationships |