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Article: Investigation of non-covalent association of single-walled carbon nanotube with amylose by molecular dynamics simulation

TitleInvestigation of non-covalent association of single-walled carbon nanotube with amylose by molecular dynamics simulation
Authors
KeywordsAmylose
Carbon nanotube
Functionalization
Molecular dynamics
Issue Date2005
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/matlet
Citation
Materials Letters, 2005, v. 59 n. 8-9, p. 971-975 How to Cite?
AbstractFunctionalization of carbon nanotubes (CNTs) with the assistance of biological molecules remarkably improves the solubility of nanotubes in aqueous or organic environment and, thus, facilitates the development of novel biotechnology, biomedicine and bioengineering. In the present study, molecular dynamics (MD) simulations are performed on the complex amylose-nanotube system to study the mode of interaction between the initially separated amylose and SWNT fragments, which can be either wrapping or encapsulation. It has been found that the van der Waals force is dominant and it always plays an important role in promoting non-covalent association. The influence of the size of nanotube on MD simulation is also studied. Our study illustrates that amylose molecules can be used to bind with nanotubes and, thus, favor non-covalent functionalization of carbon nanotubes. © 2004 Elsevier B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/75908
ISSN
2015 Impact Factor: 2.437
2015 SCImago Journal Rankings: 0.807
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorXie, YHen_HK
dc.contributor.authorSoh, AKen_HK
dc.date.accessioned2010-09-06T07:15:44Z-
dc.date.available2010-09-06T07:15:44Z-
dc.date.issued2005en_HK
dc.identifier.citationMaterials Letters, 2005, v. 59 n. 8-9, p. 971-975en_HK
dc.identifier.issn0167-577Xen_HK
dc.identifier.urihttp://hdl.handle.net/10722/75908-
dc.description.abstractFunctionalization of carbon nanotubes (CNTs) with the assistance of biological molecules remarkably improves the solubility of nanotubes in aqueous or organic environment and, thus, facilitates the development of novel biotechnology, biomedicine and bioengineering. In the present study, molecular dynamics (MD) simulations are performed on the complex amylose-nanotube system to study the mode of interaction between the initially separated amylose and SWNT fragments, which can be either wrapping or encapsulation. It has been found that the van der Waals force is dominant and it always plays an important role in promoting non-covalent association. The influence of the size of nanotube on MD simulation is also studied. Our study illustrates that amylose molecules can be used to bind with nanotubes and, thus, favor non-covalent functionalization of carbon nanotubes. © 2004 Elsevier B.V. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/matleten_HK
dc.relation.ispartofMaterials Lettersen_HK
dc.rightsMaterials Letters. Copyright © Elsevier BV.en_HK
dc.subjectAmyloseen_HK
dc.subjectCarbon nanotubeen_HK
dc.subjectFunctionalizationen_HK
dc.subjectMolecular dynamicsen_HK
dc.titleInvestigation of non-covalent association of single-walled carbon nanotube with amylose by molecular dynamics simulationen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0167-577X&volume=59&issue=8-9&spage=971&epage=975&date=2005&atitle=Investigation+of+non-covalent+association+of+single-walled+carbon+nanotube+with+amylose+by+molecular+dynamics+simulationen_HK
dc.identifier.emailSoh, AK:aksoh@hkucc.hku.hken_HK
dc.identifier.authoritySoh, AK=rp00170en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/j.matlet.2004.10.079en_HK
dc.identifier.scopuseid_2-s2.0-13444259665en_HK
dc.identifier.hkuros98352en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-13444259665&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume59en_HK
dc.identifier.issue8-9en_HK
dc.identifier.spage971en_HK
dc.identifier.epage975en_HK
dc.identifier.isiWOS:000227164000025-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridXie, YH=21234568600en_HK
dc.identifier.scopusauthoridSoh, AK=7006795203en_HK

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