Theoretical study of chitosan-graphene and other chitosan-based nanocomposites stability

Elena Kossovich; Elena Kossovich

doi:10.3934/matersci.2017.2.317

AIMS Materials Science

2017, Volume 4, Issue 2: 317-327. doi: 10.3934/matersci.2017.2.317

Previous Article Next Article

Research article Topical Sections

Theoretical study of chitosan-graphene and other chitosan-based nanocomposites stability

Elena Kossovich ^,

Scientific-research testing laboratory “Physics and Chemistry of Coals”, National university of Science and Technology “MISiS”, 4, Leninsky prospekt, Moscow, 119049, Russian Federation

Received: 18 October 2016 Accepted: 07 February 2017 Published: 13 February 2017

Application of new smart materials in various areas including healthcare engineering and medicine became a very promising and urgent area of research. Chitosan has proved its uniqueness as a basis for multipurpose aims: wound dressing, tissue engineering, drug delivery, etc. Unfortunately, nowadays the smart materials are not being constructed fast enough due to complications connected with time and pricing costs of in vivo development with simultaneous constant control of desirable properties. In this paper, a simple approach is proposed for predictive, at the stage of very beginning, analysis of structure and stability of newly-developed materials, such as chitosan nanocomposites. This approach is based on molecular modeling methods, namely, on a new hybrid multiscale model of chitosan oligomers. This model has already proved its efficiency for evaluation of nanocomposites mechanical properties using only computer simulations and appropriate software. Applicability of such approach is shown here for four types of chitosan-based nanocomposites with different fillers—carbon nanotubes, graphene, graphene oxide and chitin nanoparticles. On using a simple method of predicting the stability of such composites, laws of interaction between the chitosan matrix and fillers are shown depending on the relative mass share of the fillers within the composite.
- chitosan,
- chitin,
- carbon nanotube,
- graphene,
- graphene oxide,
- molecular modeling,
- stability
Citation: Elena Kossovich. Theoretical study of chitosan-graphene and other chitosan-based nanocomposites stability[J]. AIMS Materials Science, 2017, 4(2): 317-327. doi: 10.3934/matersci.2017.2.317

Related Papers:

Abstract

Application of new smart materials in various areas including healthcare engineering and medicine became a very promising and urgent area of research. Chitosan has proved its uniqueness as a basis for multipurpose aims: wound dressing, tissue engineering, drug delivery, etc. Unfortunately, nowadays the smart materials are not being constructed fast enough due to complications connected with time and pricing costs of in vivo development with simultaneous constant control of desirable properties. In this paper, a simple approach is proposed for predictive, at the stage of very beginning, analysis of structure and stability of newly-developed materials, such as chitosan nanocomposites. This approach is based on molecular modeling methods, namely, on a new hybrid multiscale model of chitosan oligomers. This model has already proved its efficiency for evaluation of nanocomposites mechanical properties using only computer simulations and appropriate software. Applicability of such approach is shown here for four types of chitosan-based nanocomposites with different fillers—carbon nanotubes, graphene, graphene oxide and chitin nanoparticles. On using a simple method of predicting the stability of such composites, laws of interaction between the chitosan matrix and fillers are shown depending on the relative mass share of the fillers within the composite.

References

[1]	Schulz MJ, Shanov VN, Yun Y (2009) Nanomedicine design of particles, sensors, motors, implants, robots, and devices, Boston: Artech House Publishers, 511.
[2]	Ciofani G, Menciassi A (2012) Piezoelectric nanomaterials for biomedical applications, Berlin: Springer Berlin Heidelberg, 467–469.
[3]	Kamila S (2013) Introduction, classification and applications of smart materials: An overview. Am J Appl Sci 10: 876–880. doi: 10.3844/ajassp.2013.876.880
[4]	Rosso F, Marino G, Giordano A, et al. (2005) Smart materials as scaffolds for tissue engineering. J Cell Physiol 203: 465–470. doi: 10.1002/jcp.20270
[5]	Balint R, Cassidy NJ, Cartmell SH (2014) Conductive polymers: towards a smart biomaterial for tissue engineering. Acta Biomater 10: 2341–2353. doi: 10.1016/j.actbio.2014.02.015
[6]	Pham QP, Sharma U, Mikos AG (2006) Electrospinning of Polymeric Nanofibers for Tissue Engineering Applications: A Review. Tissue Eng 12: 1197–1211. doi: 10.1089/ten.2006.12.1197
[7]	Lobenberg R (2003) Smart materials: applications of nanotechnology in drug delivery and drug targeting. Proceedings International Conference on MEMS, NANO and Smart Systems, 82–83.
[8]	Vashist A, Ahmad H (2013) Hydrogels: Smart materials for drug delivery. Orient J Chem 29: 861–870. doi: 10.13005/ojc/290303
[9]	Honey PJ, Rijo J, Anju A, et al. (2014) Smart polymers for the controlled delivery of drugs-a concise overview. Acta Pharm Sin B 4: 120–127. doi: 10.1016/j.apsb.2014.02.005
[10]	Duerig T, Stoeckel D, Johnson D (2003) SMA: smart materials for medical applications. Proc. SPIE 4763, European Workshop on Smart Structures in Engineering and Technology.
[11]	Chaudhary GR, Bansal S, Saharan P, et al. (2013) Applications of Surface Modified Ionic Liquid/Nanomaterial Composite in Electrochemical Sensors and Biosensors. BioNanoScience 3: 241–253. doi: 10.1007/s12668-013-0094-5
[12]	Fortunati E (2016) Multifunctional Films, Blends, and Nanocomposites Based on Chitosan: Use in Antimicrobial Packaging, In: Barros-Velazquez J, Antimicrobial Food Packaging, New York: Academic press, 467–477.
[13]	Hafdani FN, Sadeghinia N (2011) A Review on Application of Chitosan as a Natural Antimicrobial. World Acad Sci Eng Technol 5: 225–229.
[14]	Nwe N, Furuike T, Tamura H (2009) The Mechanical and Biological Properties of Chitosan Scaffolds for Tissue Regeneration Templates Are Significantly Enhanced by Chitosan from Gongronella butleri. Materials 2: 374–398. doi: 10.3390/ma2020374
[15]	Khor E (2014) Traditional Chitin and Chitosan Biomaterials Research. In: Khor E, Chitin: fulfilling a biomaterials promise, Elsevier, 29–50.
[16]	Bansal V, Sharma PK, Sharma N, et al. (2011) Applications of Chitosan and Chitosan Derivatives in Drug Delivery. Adv Biol Res 5: 28–37.
[17]	Huang G, Zhai J, Cheng S, et al. (2015) The application of chitosan and its derivatives as nanosized carriers for the delivery of chemical drugs and genes or proteins. Curr Drug Targets 17: 811–816.
[18]	Rodrigues S, Dionísio M, López CR, et al. (2012) Biocompatibility of Chitosan Carriers with Application in Drug Delivery. J Funct Biomater 3: 615–641. doi: 10.3390/jfb3030615
[19]	Jayakumar R, Prabaharan M, Reis RL, et al. (2005) Graft copolymerized chitosan-present status and applications. Carbohyd Polym 62: 142–158. doi: 10.1016/j.carbpol.2005.07.017
[20]	Prabaharan M (2008) Review Paper: Chitosan Derivatives as Promising Materials for Controlled Drug Delivery. J Biomater Appl 23: 5–36. doi: 10.1177/0885328208091562
[21]	Aryaei A, Jayatissa AH, Jayasuriya AC (2014) Mechanical and biological properties of chitosan/carbon nanotube nanocomposite films. J Biomed Mater Res A 102: 2704–2712. doi: 10.1002/jbm.a.34942
[22]	Fan H, Wang L, Zhao K, et al. (2010) Fabrication, mechanical properties, and biocompatibility of graphene-reinforced chitosan composites. Biomacromolecules 11: 2345–2351.
[23]	Guerra GD, Barbani N, Gagliardi M, et al. (2011) Chitosan-Based Macromolecular Biomaterials for the Regeneration of Chondroskeletal and Nerve Tissue. Int J Carbohyd Chem 2011: 1–9.
[24]	Huo W, Xie G, Zhang W, et al. (2016) Preparation of a novel chitosan-microcapsules/starch blend film and the study of its drug-release mechanism. Int J Biol Macromol 87: 114–122. doi: 10.1016/j.ijbiomac.2016.02.049
[25]	Jayakumar R, Prabaharan M, Sudheesh Kumar PT, et al. (2011) Biomaterials based on chitin and chitosan in wound dressing applications. Biotechnol Adv 29: 322–337. doi: 10.1016/j.biotechadv.2011.01.005
[26]	Mahanta AK, Maiti P (2016) Chitin and Chitosan Nanocomposites for Tissue Engineering. In: Dutta PK, Chitin and Chitosan for Regenerative Medicine, Springer India, 123–149.
[27]	De Leeuw NH (2010) Computer simulations of structures and properties of the biomaterial hydroxyapatite. J Mater Chem 20: 5376–5389. doi: 10.1039/b921400c
[28]	Han Y, Elliott J (2007) Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites. Comp Mater Sci 39: 315–323. doi: 10.1016/j.commatsci.2006.06.011
[29]	Kossovich EL, Kirillova IV, Kossovich LY, et al. (2014) Hybrid coarse-grained/atomistic model of "chitosan + carbon nanostructures" composites. J Mol Model 20: 2452. doi: 10.1007/s00894-014-2452-9
[30]	Kossovich EL, Safonov RA (2016) Predictive analysis of chitosan-based nanocomposite biopolymers elastic properties at nano- and microscale. J Mol Model 22: 75. doi: 10.1007/s00894-016-2942-z
[31]	Kossovich EL (2015) Evaluation of mechanical properties of chitosan-based nanocomposites using new hybrid multiscale molecular dynamics model. 3rd International Conference on Manufacturing Engineering and Technology for Manufacturing Growth (METMG 2015), Vancouver, CANADA: IERI Press, 186–189.
[32]	Ramachandran KI, Deepa G, Namboori K (2008) Computational Chemistry and Molecular Modeling: principles and applications, Berlin: Springer-Verlag, 397.
[33]	Cornell WD, Cieplak P, Bayly CI, et al. (1995) A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J Am Chem Soc 117: 5179–5197. doi: 10.1021/ja00124a002
[34]	Chatterjee S, Lee MW, Woo SH (2009) Enhanced mechanical strength of chitosan hydrogel beads by impregnation with carbon nanotubes. Carbon 47: 2933–2936. doi: 10.1016/j.carbon.2009.06.043
[35]	Ebrahimi S, Ghafoori-Tabrizi K, Rafii-Tabar H (2012) Multi-scale computational modelling of the mechanical behaviour of the chitosan biological polymer embedded with graphene and carbon nanotube. Comp Mater Sci 53: 347–353. doi: 10.1016/j.commatsci.2011.08.034
[36]	Lim HN, Huang NM, Loo CH (2012) Facile preparation of graphene-based chitosan films: Enhanced thermal, mechanical and antibacterial properties. J Non-Cryst Solids 358: 525–530. doi: 10.1016/j.jnoncrysol.2011.11.007
[37]	Ma B, Qin A, Li X, et al. (2014) Structure and properties of chitin whisker reinforced chitosan membranes. Int J Biol Macromol 64: 341–346. doi: 10.1016/j.ijbiomac.2013.12.015
[38]	Rubentheren V, Ward TA, Chee CY, et al. (2015) Processing and analysis of chitosan nanocomposites reinforced with chitin whiskers and tannic acid as a crosslinker. Carbohyd Polym 115: 379–387. doi: 10.1016/j.carbpol.2014.09.007
[39]	Shao L, Chang X, Zhang Y, et al. (2013) Graphene oxide cross-linked chitosan nanocomposite membrane. Appl Surf Sci 280: 989–992. doi: 10.1016/j.apsusc.2013.04.112
[40]	Venkatesan J, Kim SK (2010) Chitosan Composites for Bone Tissue Engineering-An Overview. Mar Drugs 8: 2252–2266. doi: 10.3390/md8082252
[41]	Wu B, Ou Z, Xing D (2009) Functional single-walled carbon nanotubes/chitosan conjugate for tumor cells targeting. Proc. SPIE 7519, Eighth International Conference on Photonics and Imaging in Biology and Medicine (PIBM 2009), Wuhan, China.
[42]	Zuo PP, Feng HF, Xu ZZ, et al. (2013) Fabrication of biocompatible and mechanically reinforced graphene oxide-chitosan nanocomposite films. Chem Cent J 7: 39. doi: 10.1186/1752-153X-7-39
[43]	Plimpton S (1995) Fast Parallel Algorithms for Short-Range Molecular Dynamics. J Comput Phys 117: 1–19. doi: 10.1006/jcph.1995.1039
[44]	Berendsen HJC, Postma JPM, van Gunsteren WF, et al. (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81: 3684. doi: 10.1063/1.448118
[45]	Thompson MA (2004) Molecular docking using ArgusLab, an efficient shape-based search algorithm and the AScore scoring function. ACS Meeting, Philadelphia, 172: 42.
[46]	Humphrey W, Dalke A, Schulten K (1996) VMD: Visual molecular dynamics. J Mol Graph 14: 33–38. doi: 10.1016/0263-7855(96)00018-5
[47]	Azimov J, Mamatkulov S, Turaeva N, et al. (2012) Computer modeling of chitosan adsorption on a carbon nanotube. J Struct Chem 53: 829–834. doi: 10.1134/S0022476612050022
[48]	Glukhova OE, Kirillova IV, Kolesnikova AS, et al. (2012) Strain-hardening effect of graphene on a chitosan chain for the tissue engineering. Proc. SPIE 8233, Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications IV, USA.
[49]	Wang XN, Liu Y, Xu JC, et al. (2015) Molecular Dynamics Study of Stability and Diffusion of Graphene-Based Drug Delivery Systems. J Nanomater 16: 109.

Reader Comments

Your name:*

Email:*
© 2017 the Author(s), licensee AIMS Press. This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0)