The effects of hydroxide and epoxide functional groups on the mechanical properties of graphene oxide and its failure mechanism by molecular dynamics simulations

Sun, Yunjin; Tang, Xing; Bao, Hongwei; Yang, Zhi; Ma, Fang

doi:10.1039/d0ra04881j

Cited by 41 publications

(35 citation statements)

References 40 publications

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“…PCL has similar strain break point, but significantly higher break point tensile stress compared to SH containing meshes. However, the slightly lower values for PCLSH30 can potentially be explained due to the lower fiber diameter and the increase in the level of functional groups (C=, OH), which have been reported to have a negative impact on elasticity [ 70 ].…”

Section: Resultsmentioning

confidence: 99%

“…The SH containing meshes have a strain break point of 43, 52, and 38%; and br point tensile stress of 359 ± 173 kPa, 393 ± 93 kPa, and 351 ± 141 kPa for PCLSH PCLSH20, and PCLSH30, respectively (Figure 6c,d). PCL has similar strain break po but significantly higher break point tensile stress compared to SH containing mesh However, the slightly lower values for PCLSH30 can potentially be explained due to lower fiber diameter and the increase in the level of functional groups (C=, OH), wh have been reported to have a negative impact on elasticity [70].…”

Section: Swelling and Degradationmentioning

confidence: 94%

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Preliminary Characterization of a Polycaprolactone-SurgihoneyRO Electrospun Mesh for Skin Tissue Engineering

et al. 2021

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Skin is a hierarchical and multi-cellular organ exposed to the external environment with a key protective and regulatory role. Wounds caused by disease and trauma can lead to a loss of function, which can be debilitating and even cause death. Accelerating the natural skin healing process and minimizing the risk of infection is a clinical challenge. Electrospinning is a key technology in the development of wound dressings and skin substitutes as it enables extracellular matrix-mimicking fibrous structures and delivery of bioactive materials. Honey is a promising biomaterial for use in skin tissue engineering applications and has antimicrobial properties and potential tissue regenerative properties. This preliminary study investigates a solution electrospun composite nanofibrous mesh based on polycaprolactone and a medical grade honey, SurgihoneyRO. The processing conditions were optimized and assessed by scanning electron microscopy to fabricate meshes with uniform fiber diameters and minimal presence of beads. The chemistry of the composite meshes was examined using Fourier transform infrared spectroscopy and X-ray photon spectroscopy showing incorporation of honey into the polymer matrix. Meshes incorporating honey had lower mechanical properties due to lower polymer content but were more hydrophilic, resulting in an increase in swelling and an accelerated degradation profile. The biocompatibility of the meshes was assessed using human dermal fibroblasts and adipose-derived stem cells, which showed comparable or higher cell metabolic activity and viability for SurgihoneyRO-containing meshes compared to polycaprolactone only meshes. The meshes showed no antibacterial properties in a disk diffusion test due to a lack of hydrogen peroxide production and release. The developed polycaprolactone-honey nanofibrous meshes have potential for use in skin applications.

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Section: Resultsmentioning

confidence: 99%

Section: Swelling and Degradationmentioning

confidence: 94%

Preliminary Characterization of a Polycaprolactone-SurgihoneyRO Electrospun Mesh for Skin Tissue Engineering

et al. 2021

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“…Moreover, it has been studied that cracks in the graphene oxide sheets are always initiated and propagated along the path where the hydroxyl and epoxy groups are distributed. Therefore, crosslinking helps to fix these groups and prevents the rupturing of the sheets [29]. Besides, such membranes are much more stable as compared to cation modified GO membranes.…”

Section: Membrane Integrity Testmentioning

confidence: 99%

“…One of the major advantages of crosslinking of GO is that the density of free functional groups is reduced and the mechanical properties of graphene sheets are enhanced. This study was done by Sun et al, using molecular dynamics simulations [29]. Therefore, the membranes developed from these cross-linked GO are highly robust.…”

Section: Introductionmentioning

confidence: 99%

Development of superhydrophillic tannic acid-crosslinked graphene oxide membranes for efficient treatment of oil contaminated water with enhanced stability

Singhal

George²,

Sharma³

et al. 2020

Heliyon

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In the present age of industrialization, oil contamination in the waste water has become a huge global concern due to its several negative impacts on human health and aquatic ecosystem. In order to address this problem, a novel oleophobic and super-hydrophilic graphene-based membrane has been developed using simple and cost-effective vacuum filtration methodology. Prior developing the membranes, the graphene oxide (GO) sheets were crosslinked with tannic acid (TA) molecules in order to improve their mechanical and surface properties. To obtain the structural and morphological information of the membranes and their constituents, Field Emission Scanning Electron (FE-SEM) microscopy, X-Ray Diffraction (XRD), FTIR spectroscopy and Raman spectroscopy was used. When tested with simulated oilfield effluent samples, these membranes exhibited significant reduction in the values of chemical oxygen demand (COD), total dissolved solids (TDS), total suspended solids (TSS) and turbidity demonstrating low-oil adhesion and preferable oil rejection rates. Moreover, such crosslinked membranes are highly stable which can withstand the pressure of water filtration. In such a way, TA crosslinked GO membranes present a robust and efficient way to treat oil contaminated water released from various industries which can be reused for numerous further applications.

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“…The force applied to the composite material is transmitted through the interface between the fiber reinforcement and polymers, and the composite material easily breaks when the interfacial adhesiveness is weak [6,15,16]. Various studies have been conducted to improve the interfacial strength [17,18]. These studies can be roughly classified into two groups depending on the approach adopted to improve the interfacial adhesiveness [19].…”

Section: Introductionmentioning

confidence: 99%

Effect of Electrostatic Interactions on the Interfacial Energy between Thermoplastic Polymers and Graphene Oxide: A Molecular Dynamics Study

Morita

Oya

Kato³

et al. 2022

Polymers

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In this study, the atomistic-scale mechanisms affecting the interfacial stability of a thermoplastic polymer/graphene oxide interface are investigated using molecular dynamics simulations. Different combinations of thermoplastic polymers (polyethersulfone (PES) and polyetherimide (PEI)) and graphene oxides modified with –O–, –OH, and –COOH are prepared. PES is found to be more strongly stabilized with modified/functionalized graphene oxide in the order of –COOH, –OH, –O–, which is opposite to the stability order of PEI. Our results suggest that these orders of stability are governed by a balance between the following two factors resulting from electrostatic interactions: (1) atoms with a strong charge bias attract each other, thereby stabilizing the interface; (2) the excluded-volume effect of the functional groups on graphene oxide destabilizes the interface by preventing - stacking of aromatic rings.

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The effects of hydroxide and epoxide functional groups on the mechanical properties of graphene oxide and its failure mechanism by molecular dynamics simulations

Abstract: Graphene oxide (GO) could be assembled via amphiphilic interface adhesion into nano-composites.

Cited by 41 publications

References 40 publications

Preliminary Characterization of a Polycaprolactone-SurgihoneyRO Electrospun Mesh for Skin Tissue Engineering

Preliminary Characterization of a Polycaprolactone-SurgihoneyRO Electrospun Mesh for Skin Tissue Engineering

Development of superhydrophillic tannic acid-crosslinked graphene oxide membranes for efficient treatment of oil contaminated water with enhanced stability

Effect of Electrostatic Interactions on the Interfacial Energy between Thermoplastic Polymers and Graphene Oxide: A Molecular Dynamics Study

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