Data from: Biocompatible multi-functional polymeric material for mineralized tissue adhesion
Data files
Apr 07, 2026 version files 62.58 KB
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fig2b-d.xlsx
45.44 KB
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fig2e_acrylate.csv
451 B
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fig2e_ratio.csv
422 B
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fig2e_thiol.csv
447 B
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fig2f.csv
192 B
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fig3_e.csv
538 B
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fig3_f_shrinkage_percentage.csv
201 B
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fig3_f_storage_modulus.csv
256 B
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fig4_1_with_bmep.txt
4.78 KB
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fig4_2_without_bmep.txt
4.78 KB
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fig5b.csv
277 B
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fig5c.csv
222 B
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README.md
4.58 KB
Abstract
This study developed a biocompatible multifunctional thiol-ene resin system for adhesion to dentin mineralized tissue. Adhesive resins maintain the strength and longevity of dental composite restorations through chemophysical bonding to exposed dentin surfaces after cavity preparations. Dental pulp cells are exposed to residual monomers transported through dentinal tubules. Monomers of conventional adhesive systems may result in inhomogeneous polymer networks and the release of residual monomers that cause cytotoxicity. In this study, we develop a one-step multi-functional polymeric resin system by incorporating trimethylolpropane triacrylate (TMPTA) and bis[2-(methacryloyloxy)ethyl] phosphate (BMEP) to enhance both mechanical properties and adhesion to dentin. Molecular dynamics simulations identified an optimal triacylate:trithiol ratio of 2.5:1, which was consistent with rheological and mechanical tests that yielded a storage modulus of ~30 MPa with or without BMEP. Shear bond tests demonstrated that the addition of BMEP significantly improved dentin adhesion, achieving a shear bond strength of 10.8 MPa, comparable to the commercial primer Clearfil SE Bond. Nanoindentation modulus mapping characterized the hybrid layer and mechanical gradient of the adhesive resin system. Further, the triacrylate-BMEP resin showed biocompatibility with dental pulp cells and fibroblasts in vitro. These findings suggest the triacrylate-trithiol crosslinking and chemophysical bonding of BMEP provide enhanced bond strength and biocompatibility for dental applications.
Dataset DOI: 10.5061/dryad.hmgqnk9ws
Description of the data and file structure
This dataset contains the experimental and computational data from a study developing a biocompatible, multifunctional thiol-ene resin system designed for adhesion to dentin mineralized tissue. The one-step polymeric resin system incorporates trimethylolpropane triacrylate (TMPTA) and bis[2-(methacryloyloxy)ethyl] phosphate (BMEP) to enhance both mechanical properties and chemophysical adhesion to dentin.The provided files encompass molecular dynamics simulations, oscillatory shear rheology, scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) imaging, shear bond strength testing, nanoindentation mapping, and in vitro biocompatibility assays (cell imaging and lactate dehydrogenase [LDH] release).
Abbreviations Used
- BMEP: Bis[2-(methacryloyloxy)ethyl] phosphate (an acidic methacrylate monomer/primer)
- DMPA: 2,2-Dimethoxy-2-phenylacetophenone (a photoinitiator)
- EDS: Energy Dispersive X-Ray Spectroscopy (used for elemental analysis)
- hDPSCs: Human dental pulp stem cells
- LDH: Lactate dehydrogenase (used as a marker for cell viability/cytotoxicity)
- SEM: Scanning Electron Microscopy
- TMPMP: Trimethylolpropane tris(3-mercaptopropionate) (a trithiol monomer)
- TMPTA: Trimethylolpropane triacrylate (a triacrylate monomer)
Files and variables
Figure 2: Molecular Dynamics Simulations and Rheology
File: fig2b-d.xlsx
Description: Molecular dynamics simulation results for resin materials with varying triacrylate (TMPTA) and trithiol (TMPMP) compositions. The data details the potential energy and axis-binding energy profiles for these monomers reacting under different ratios. Note: The worksheet labels EBS, EBB, and ESS correspond to UBS, UBB, and USS, where U is potential energy, S is the screening material (TMPMP), and B is the base material (TMPTA).
Confirmed no missing rows of data.
Units: kcal/mol of binding energy versus potential energy of EBS, EBB, ESS (kcal/mol) for triacrylate-to-trithiol ratios indicated in worksheet lables.
File: fig2e csv files
Description: Oscillatory shear rheology data plotting the storage modulus and loss modulus of the resin system. The data is organized as a function of acrylate concentration, TMPTA:TMPMP ratio, and thiol concentration, respectively.
- fig2e_acrylate.csv
- fig2e_ratio.csv
- fig2e_thiol.csv
Units: Storage modulus and loss modulus (MPa); Shrinkage percentage
Note that column headings are repeated for replicates.
File: fig2f.csv
Description: Polymerization shrinkage data for the resin under different TPMTA:TMPMP ratios.
Units: Shrinkage is measured as a percentage (%).
File: fig3_e.csv
Description: Shear bond strength statistical data comparing the developed resin systems (with and without BMEP) against a commercial reference primer, Clearfil SE Bond.
Units: Shear strength is measured in megapascals (MPa).
File: fig3_f_shrinkage_percentage.csv, fig3_f_storage_modulus.csv
Description: Statistical comparison of the storage modulus and shrinkage percentage between the optimal 2.5:1 TMPTA:TMPMP resin systems with and without the addition of BMEP.
Units: Storage modulus is measured in megapascals (MPa); shrinkage is a percentage (%).
Figure 4: Nanomechanical Analysis
Files: fig4_1_with_bmep.txt and fig4_2_without_bmep.txt
Description: Nanoindentation mapping array data tracking the mechanical properties across the dentin-resin interface for formulations with and without BMEP. The data tracks the modulus transition from the dentin region, through the hybrid layer, and into the resin region.
Units: Position/distance is measured in micrometers (um); modulus is measured in gigapascals (GPa).
Figure 5: Biocompatibility
File: fig5b.csv
Description: Relative cell viability data for hDPSCs. Resin samples (with and without BMEP) were soaked in culture media to create conditioned media, which was then diluted to 100%, 50%, and 25% concentrations. Cells were cultured in these media for 24 hours prior to viability testing.
Units: Relative viability is expressed as a percentage (%) compared to a negative control.
File: fig5c.csv
Description: Absolute cell counts of hDPSCs after 24 hours of culture in the same 100%, 50%, and 25% conditioned media dilutions.
Units: Absolute cell numbers (count).