schliessen

Filtern

 

Bibliotheken

Influence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations

Atomistic molecular dynamics simulations are performed to investigate the influence of rutile with nanoscale surface curvature on the adsorption of fibronectin (FN-III10). To obtain the preferred adsorption orientation of FN-III10, the adsorption processes of 12 different initial orientations of FN-... Full description

Journal Title: Journal of Materials Science 2017, Vol.52(23), pp.13512-13521
Main Author: Wang, Xinyu
Other Authors: Li, Zheng , Li, Hongxia , Ruan, Shilun , Gu, Junfeng
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 0022-2461 ; E-ISSN: 1573-4803 ; DOI: 10.1007/s10853-017-1458-y
Link: http://dx.doi.org/10.1007/s10853-017-1458-y
Zum Text:
SendSend as email Add to Book BagAdd to Book Bag
Staff View
recordid: springer_jour10.1007/s10853-017-1458-y
title: Influence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
format: Article
creator:
  • Wang, Xinyu
  • Li, Zheng
  • Li, Hongxia
  • Ruan, Shilun
  • Gu, Junfeng
subjects:
  • Molekulardynamische Simulation
  • Gekrümmte Oberfläche
  • Adsorptionsverfahren
  • Biomaterial
  • Nanobereich
  • Krümmung
  • Protein
  • Simuliertes Ergebnis
  • Engineering
ispartof: Journal of Materials Science, 2017, Vol.52(23), pp.13512-13521
description: Atomistic molecular dynamics simulations are performed to investigate the influence of rutile with nanoscale surface curvature on the adsorption of fibronectin (FN-III10). To obtain the preferred adsorption orientation of FN-III10, the adsorption processes of 12 different initial orientations of FN-III10 on rutile with ideal surface are firstly simulated, and results show that only two stable orientations are obtained during the simulations. Afterward, these two preferred orientations are placed on rutile with different nanoscale curved surfaces, and simulations find that the curved surface has a significant influence on the orientation of the adsorbed FN-III10. The “side-on” orientation prefers the convex surface, while the “head-on” orientation prefers the concave surface. Further investigation on the impact mechanism shows that the dipole of the rutile caused by the defective surface has strong interaction with the dipole of the adsorbed FN-III10, which is the dominant driving force of the conformational change during the simulation. The simulation results further verify the influence of nanoscale surface of biomaterial on the adsorbed protein and highlight the possibility of surface design for advanced biomaterial development.
language: eng
source:
identifier: ISSN: 0022-2461 ; E-ISSN: 1573-4803 ; DOI: 10.1007/s10853-017-1458-y
fulltext: fulltext
issn:
  • 1573-4803
  • 15734803
  • 0022-2461
  • 00222461
url: Link


@attributes
ID1275724965
RANK0.07
NO1
SEARCH_ENGINEprimo_central_multiple_fe
SEARCH_ENGINE_TYPEPrimo Central Search Engine
LOCALfalse
PrimoNMBib
record
control
sourcerecordid10.1007/s10853-017-1458-y
sourceidspringer_jour
recordidTN_springer_jour10.1007/s10853-017-1458-y
sourcesystemOther
pqid1937804187
galeid504388611
display
typearticle
titleInfluence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
creatorWang, Xinyu ; Li, Zheng ; Li, Hongxia ; Ruan, Shilun ; Gu, Junfeng
ispartofJournal of Materials Science, 2017, Vol.52(23), pp.13512-13521
identifier
descriptionAtomistic molecular dynamics simulations are performed to investigate the influence of rutile with nanoscale surface curvature on the adsorption of fibronectin (FN-III10). To obtain the preferred adsorption orientation of FN-III10, the adsorption processes of 12 different initial orientations of FN-III10 on rutile with ideal surface are firstly simulated, and results show that only two stable orientations are obtained during the simulations. Afterward, these two preferred orientations are placed on rutile with different nanoscale curved surfaces, and simulations find that the curved surface has a significant influence on the orientation of the adsorbed FN-III10. The “side-on” orientation prefers the convex surface, while the “head-on” orientation prefers the concave surface. Further investigation on the impact mechanism shows that the dipole of the rutile caused by the defective surface has strong interaction with the dipole of the adsorbed FN-III10, which is the dominant driving force of the conformational change during the simulation. The simulation results further verify the influence of nanoscale surface of biomaterial on the adsorbed protein and highlight the possibility of surface design for advanced biomaterial development.
languageeng
source
subjectMolekulardynamische Simulation ; Gekrümmte Oberfläche ; Adsorptionsverfahren ; Biomaterial ; Nanobereich ; Krümmung ; Protein ; Simuliertes Ergebnis ; Engineering;
version4
lds50peer_reviewed
links
openurl$$Topenurl_article
openurlfulltext$$Topenurlfull_article
backlink$$Uhttp://dx.doi.org/10.1007/s10853-017-1458-y$$EView_full_text_in_Springer_(Subscribers_only)
search
creatorcontrib
0Wang, Xinyu
1Li, Zheng
2Li, Hongxia
3Ruan, Shilun
4Gu, Junfeng
titleInfluence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
descriptionAtomistic molecular dynamics simulations are performed to investigate the influence of rutile with nanoscale surface curvature on the adsorption of fibronectin (FN-III10). To obtain the preferred adsorption orientation of FN-III10, the adsorption processes of 12 different initial orientations of FN-III10 on rutile with ideal surface are firstly simulated, and results show that only two stable orientations are obtained during the simulations. Afterward, these two preferred orientations are placed on rutile with different nanoscale curved surfaces, and simulations find that the curved surface has a significant influence on the orientation of the adsorbed FN-III10. The “side-on” orientation prefers the convex surface, while the “head-on” orientation prefers the concave surface. Further investigation on the impact mechanism shows that the dipole of the rutile caused by the defective surface has strong interaction with the dipole of the adsorbed FN-III10, which is the dominant driving force of the conformational change during the simulation. The simulation results further verify the influence of nanoscale surface of biomaterial on the adsorbed protein and highlight the possibility of surface design for advanced biomaterial development.
general
010.1007/s10853-017-1458-y
1English
2Springer Science & Business Media B.V.
3SpringerLink
sourceidspringer_jour
recordidspringer_jour10.1007/s10853-017-1458-y
issn
01573-4803
115734803
20022-2461
300222461
rsrctypearticle
creationdate2017
addtitle
0Journal of Materials Science
1Full Set - Includes `Journal of Materials Science Letters'
2J Mater Sci
searchscopespringer_journals_complete
scopespringer_journals_complete
lsr30VSR-Enriched:[pages, subject, pqid, orcidid, galeid]
sort
titleInfluence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
authorWang, Xinyu ; Li, Zheng ; Li, Hongxia ; Ruan, Shilun ; Gu, Junfeng
creationdate20171200
facets
frbrgroupid7163214703534204271
frbrtype5
newrecords20170914
languageeng
creationdate2017
collectionSpringerLink
prefilterarticles
rsrctypearticles
creatorcontrib
0Wang, Xinyu
1Li, Zheng
2Li, Hongxia
3Ruan, Shilun
4Gu, Junfeng
jtitleJournal Of Materials Science
toplevelpeer_reviewed
delivery
delcategoryRemote Search Resource
fulltextfulltext
addata
aulast
0Wang
1Li
2Ruan
3Gu
aufirst
0Xinyu
1Zheng
2Hongxia
3Shilun
4Junfeng
au
0Wang, Xinyu
1Li, Zheng
2Li, Hongxia
3Ruan, Shilun
4Gu, Junfeng
atitleInfluence of nanoscale surface curvature of rutile on fibronectin adsorption by atomistic simulations
jtitleJournal of Materials Science
stitleJ Mater Sci
addtitleFull Set - Includes `Journal of Materials Science Letters'
risdate201712
volume52
issue23
spage13512
epage13521
issn0022-2461
eissn1573-4803
genrearticle
ristypeJOUR
abstractAtomistic molecular dynamics simulations are performed to investigate the influence of rutile with nanoscale surface curvature on the adsorption of fibronectin (FN-III10). To obtain the preferred adsorption orientation of FN-III10, the adsorption processes of 12 different initial orientations of FN-III10 on rutile with ideal surface are firstly simulated, and results show that only two stable orientations are obtained during the simulations. Afterward, these two preferred orientations are placed on rutile with different nanoscale curved surfaces, and simulations find that the curved surface has a significant influence on the orientation of the adsorbed FN-III10. The “side-on” orientation prefers the convex surface, while the “head-on” orientation prefers the concave surface. Further investigation on the impact mechanism shows that the dipole of the rutile caused by the defective surface has strong interaction with the dipole of the adsorbed FN-III10, which is the dominant driving force of the conformational change during the simulation. The simulation results further verify the influence of nanoscale surface of biomaterial on the adsorbed protein and highlight the possibility of surface design for advanced biomaterial development.
copNew York
pubSpringer US
doi10.1007/s10853-017-1458-y
pages13512-13521
orcidid0000-0002-0696-2193
date2017-12