Investigation of ethanol infiltration into demineralized dentin collagen fibrils using molecular dynamics simulations

Jee, Sang Eun; Zhou, Jiangfeng; Tan, Jiatong; Breschi, Lorenzo; Tay, Franklin R.; Grégoire, Geneviève; Pashley, David H.; Jang, Seung Soon

doi:10.1016/j.actbio.2016.03.012

Cited by 27 publications

(23 citation statements)

References 68 publications

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“…It is well-known that ethanol can remove and replace unbound water from demineralized dentin [179]. To determine whether ethanol can replace bound water from collagen matrices, Jee et al [180] used molecular dynamic simulations to recreate the three layers of bound water in collagen matrices. Using this computer simulation, they confirmed that the first and second layers of tightly-bound water in collagen could not be replaced by ethanol.…”

Section: Removal Of the Unbound/residual Water Within The Hlmentioning

confidence: 99%

Dentin bonding systems: From dentin collagen structure to bond preservation and clinical applications

et al. 2018

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Section: Removal Of the Unbound/residual Water Within The Hlmentioning

confidence: 99%

Dentin bonding systems: From dentin collagen structure to bond preservation and clinical applications

et al. 2018

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“…Water has a very strong hydrogen bonding capacity and can hydrogen bond to carbonyl oxygen and amide nitrogen moieties in collagen peptides and prevents interpeptide hydrogen bonding between collagen peptides [37]. Ethanol can hydrogen bond less strongly to loosely-bound water around demineralized collagen matrices [3]. Therefore, low concentrations of ethanol/water solutions do not necessarily cause significant dehydration that would result with spontaneous interpeptide bonds between the collagen peptides.…”

Section: Discussionmentioning

confidence: 99%

“…Resin-dentin bonding relies on the effective penetration of solvated adhesive resins into demineralized collagen matrix to create a durable hybrid layer [2]. However, replacement of residual water in acid-etched dentin is the main challenge [3] resulting in incomplete infiltration of the adhesive resin monomers into the demineralized collagen network [1,2]. Imperfect hybrid layers are prone to degradation of the resin component [4], as well as host-derived enzymatic degradation of the incompletely impregnated collagen fibrils in the presence of water [5].…”

Section: Introductionmentioning

confidence: 99%

Influence of polar solvents on permeability, stiffness and collagen dissociation of demineralized dentin

Al-Ani

Mutluay

Tjäderhane

et al. 2019

International Journal of Adhesion and Adhesives

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The purpose of this in vitro study was to evaluate and compare the effect of dimethyl sulfoxide (DMSO) or ethanol on the permeability, stiffness and collagen dissociation of demineralized dentin. Dentin cubes (2 × 2 × 2 mm) were demineralized in EDTA and incubated in DMSO or ethanol (0.01, 0.1, 1, 5, 10, 20, 50 and 100%) (n= 10/group) for 30 s, followed by 100% HEMA incubation. Extracted HEMA was quantified. For elastic modulus (E), demineralized dentin beams (6 × 2 × 1 mm) were incubated in DMSO or ethanol (1, 10, 20, 50 and 100%) for 10, 30 or 60 min at 3-point bending. Additional demineralized dentin discs (1 mm) were incubated in DMSO (1, 10, 50 and 100%) for 10, 30 and 60 min and the optical clearing effect was observed. The data were analyzed using ANOVA and Tukey's test (α=0.05) using SigmaPlot (Systat Software Inc., San Jose, CA). Compared to controls, HEMA uptake was significantly higher with all DMSO concentrations, and with 0.1% or higher ethanol concentrations (p < 0.05). HEMA uptake in DMSO-incubated specimens (0.01, 5 and 10%) was significantly higher than with the ethanol incubation. Significant increase in elastic moduli was observed with 50-100% DMSO-and only with 100% ethanol after 10 min incubation. The optical clearing effect of 50-100% DMSO-incubated dentin disks was observed starting from 10 min. The pretreatment of dentin surfaces with low concentrations of DMSO resulted in significant improvement of the penetration of monomers to demineralized dentin matrices. Increase in penetration of monomers combined with a reversible stiffening of dentin collagenous matrix may explain the previously shown increase in durability of wet-or dry-bonded adhesive interfaces with DMSO treatment.

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“…The inability of resin monomers to replace both free and collagen-bound water present in the inter- and intrafibrillar compartments is a limitation to achieve a complete and stable hybrid layer [59, 60].…”

Section: Methodsmentioning

confidence: 99%

Resin-Dentin Bonding Interface: Mechanisms of Degradation and Strategies for Stabilization of the Hybrid Layer

Betancourt

Baldión

Castellanos

2019

International Journal of Biomaterials

101

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Several studies have shown that the dentin-resin interface is unstable due to poor infiltration of resin monomers into the demineralized dentin matrix. This phenomenon is related to the incomplete infiltration of the adhesive system into the network of exposed collagen fibrils, mainly due to the difficulty of displacement and subsequent replacement of trapped water between interfibrillar spaces, avoiding adequate hybridization within the network of collagen fibrils. Thus, unprotected fibrils are exposed to undergo denaturation and are susceptible to cyclic fatigue rupture after being subjected to repetitive loads during function. The aqueous inclusions within the hybrid layer serve as a functional medium for the hydrolysis of the resin matrix, giving rise to the activity of esterases and collagenolytic enzymes, such as matrix metalloproteinases, which play a fundamental role in the degradation process of the hybrid layer. Achieving better interdiffusion of the adhesive system in the network of collagen fibrils and the substrate stability in the hybrid layer through different strategies are key events for the interfacial microstructure to adequately function. Hence, it is important to review the factors related to the mechanisms of degradation and stabilization of the hybrid layer to support the implementation of new materials and techniques in the future. The enzymatic degradation of collagen matrix, together with resin leaching, has led to seeking strategies that inhibit the endogenous proteases, cross-linking the denudated collagen fibrils and improving the adhesive penetration removing water from the interface. Some of dentin treatments have yielded promising results and require more research to be validated. A longer durability of adhesive restorations could resolve a variety of clinical problems, such as microleakage, recurrent caries, postoperative sensitivity, and restoration integrity.

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Investigation of ethanol infiltration into demineralized dentin collagen fibrils using molecular dynamics simulations

Cited by 27 publications

References 68 publications

Dentin bonding systems: From dentin collagen structure to bond preservation and clinical applications

Dentin bonding systems: From dentin collagen structure to bond preservation and clinical applications

Influence of polar solvents on permeability, stiffness and collagen dissociation of demineralized dentin

Resin-Dentin Bonding Interface: Mechanisms of Degradation and Strategies for Stabilization of the Hybrid Layer

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