Data for Utilizing a degradation prediction pathway system to understand how a novel methacrylate derivative polymer with flipped external ester groups retains physico-mechanical properties following esterase exposure
2024-08-22
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2019-05-01 thru 2021-04-19
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Minneapolis, MN, USA
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Data for Utilizing a degradation prediction pathway system to understand how a novel methacrylate derivative polymer with flipped external ester groups retains physico-mechanical properties following esterase exposure
Published Date
2024-08-22
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Jones, Robert S
rsjones@umn.edu
rsjones@umn.edu
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Experimental Data
Abstract
The region of failure for current methacrylates (i.e. derivatives of acrylates) are ester bond linkages that hydrolyze in the presence of salivary and bacterial esterases that break the polymer network backbone. This effect decreases the mechanical properties of methacrylate-based materials. The ethylene glycol dimethacrylate (EGDMA) or novel ethylene glycol ethyl methacrylate (EGEMA) discs were prepared using 40μL of the curing mixture containing photo/co-initiators for 40second in a PTFE mold at 1000mW/cm2. The degree of conversion was used as a quality control measure for the prepared disks, followed by physical, mechanical, and chemical characterization of discs properties before and after cholesterol esterase treatment. After 9 weeks of standardized cholesterol esterase (CEase) exposure, EGDMA discs showed exponential loss of material (p=0.0296), strength (p=0.0014) and increased water sorption (p=0.0002) compared to EGEMA discs. We integrated a degradation prediction pathway system to LC/MS and GC/MS analyses to elucidate the degradation by-products of both EGEMA and EGDMA polymers. GC/MS analysis demonstrated that the esterase catalysis was directed to central polymer backbone breakage, producing ethylene glycol, for EGDMA, and to side chain breakage, producing ethanol, for EGEMA. The flipped external ester group linkage design is attributed to EGEMA showing higher resistance to esterase biodegradation and changes in mechanical and physical properties than EGDMA. EGEMA is a potential substitute for common macromer diluents, such as EGDMA, based on its resistance to biodegradation effects. This work inspires the flipped external group design to be applied to analogs of current larger, hydrophobic strength bearing macromers used in future dental material formulations.
The data in this record supports the figures in the related manuscript.
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Raw data and underlying figure data for the manuscript titled "Utilizing a degradation prediction pathway system to understand how a novel methacrylate derivative polymer with flipped external ester groups retains physico-mechanical properties following esterase exposure."
Referenced by
Kumar D, Ghose D, Mutreja I, Bolskar RD, Aparicio C, Jones RS. Utilizing a degradation prediction pathway system to understand how a novel methacrylate derivative polymer with flipped external ester groups retains physico-mechanical properties following esterase exposure. Dent Mater. 2022 Feb;38(2):251-265. Epub 2021 Dec 18. PMID: 34933759; PMCID: PMC8828700. https://doi.org/10.1016/j.dental.2021.12.008
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NIH/NIDCR 5R44DE024013–03
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Kumar, Dhiraj; Ghose, Debarati; Mutreja, Isha; Bolskar, Robert; Aparicio, Conrado; Jones, Robert S. (2024). Data for Utilizing a degradation prediction pathway system to understand how a novel methacrylate derivative polymer with flipped external ester groups retains physico-mechanical properties following esterase exposure. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/4V5K-J726.
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| File View/Open | Description | Size |
|---|---|---|
| Figure 1_A_AP and cured FTIR - EGDMA.csv | 378.98 KB | |
| Figure 1_B_AP and cured FTIR - EGEMA.csv | 380.27 KB | |
| Figure 1_C_AP Degree of conversion.csv | 632 B | |
| Figure 1_D_AP Water contact Angle.csv | 481 B | |
| Figure 1_E_AP Hardness.csv | 861 B | |
| Figure 2_Relative activity CE 24h.csv | 2.09 KB | |
| Figure 3_A_Relative weight on CEase.csv | 948 B | |
| Figure 3_B_Hardness on CEase.csv | 513 B | |
| Figure 3_C_water CA on CEase.csv | 465 B | |
| Figure 3_D_water sorption on CEase.csv | 403 B | |
| Figure 3_E_Terminal weight on CEase.csv | 483 B | |
| Figure 4_A_AP and CEase DTS vs strain.csv | 293.74 KB | |
| Figure 4_B_AP and CEase DTS.csv | 601 B | |
| Figure 4_C_AP and CEase TEF.csv | 720 B | |
| Figure 4_E_AP and CEase OCT Minor defects.csv | 717 B | |
| Figure 4_F_AP and CEase OCT Major defects.csv | 711 B | |
| Figure S1_Kaplan Meier Survival Curve.csv | 449 B | |
| Center for Metabolomics and Proteomics GC-MS report.pdf | 670.14 KB | |
| Readme_file_Jones.txt | Readme file | 9.83 KB |
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