Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules

Carbon nanotubes (CNTs) are extensively adopted in the applications of biotechnology and biomedicine. Their interactions with cell membranes are of great importance for understanding the toxicity of CNTs and the application of drug delivery. In this paper, we use atomic molecular dynamics simulation...
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Gespeichert in:

Autor*in:	Yiyi Gao [verfasserIn] Dangxin Mao [verfasserIn] Jun Wu [verfasserIn] Xiaogang Wang [verfasserIn] Zhikun Wang [verfasserIn] Guoquan Zhou [verfasserIn] Liang Chen [verfasserIn] Junlang Chen [verfasserIn] Songwei Zeng [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2019

Schlagwörter:	carbon nanotube lipid bilayer translocation molecular dynamics simulation

Übergeordnetes Werk:	In: Applied Sciences - MDPI AG, 2012, 9(2019), 20, p 4271
Übergeordnetes Werk:	volume:9 ; year:2019 ; number:20, p 4271

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/app9204271

Katalog-ID:	DOAJ013635115

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520			\|a Carbon nanotubes (CNTs) are extensively adopted in the applications of biotechnology and biomedicine. Their interactions with cell membranes are of great importance for understanding the toxicity of CNTs and the application of drug delivery. In this paper, we use atomic molecular dynamics simulations to study the permeation and orientation of pristine and functionalized CNTs in a lipid bilayer. Pristine CNT (PCNT) can readily permeate into the membrane and reside in the hydrophobic region without specific orientation. The insertion of PCNTs into the lipid bilayer is robust and independent on the lengths of PCNTs. Due to the presence of hydroxyl groups on both ends of the functionalized CNT (FCNT), FCNT prefers to stand upright in the lipid bilayer center. Compared with PCNT, FCNT is more suitable to be a bridge connecting the inner and outer lipid membrane. The inserted CNTs have no distinct effects on membrane structure. However, they may block the ion channels. In addition, preliminary explorations on the transport properties of CNTs show that the small hydrophobic molecule carbon dioxide can enter both PCNT and FCNT hollow channels. However, hydrophilic molecule urea is prone to penetrate the PCNT but finds it difficult to enter the FCNT. These results may provide new insights into the internalization of CNT in the lipid membrane and the transport properties of CNTs when embedded therein.
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authorswithroles_txt_mv	Yiyi Gao @@aut@@ Dangxin Mao @@aut@@ Jun Wu @@aut@@ Xiaogang Wang @@aut@@ Zhikun Wang @@aut@@ Guoquan Zhou @@aut@@ Liang Chen @@aut@@ Junlang Chen @@aut@@ Songwei Zeng @@aut@@
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callnumber-first	T - Technology
author	Yiyi Gao
spellingShingle	Yiyi Gao misc TA1-2040 misc QH301-705.5 misc QC1-999 misc QD1-999 misc carbon nanotube misc lipid bilayer misc translocation misc molecular dynamics simulation misc Technology misc T misc Engineering (General). Civil engineering (General) misc Biology (General) misc Physics misc Chemistry Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules
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title	Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules
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title_sort	carbon nanotubes translocation through a lipid membrane and transporting small hydrophobic and hydrophilic molecules
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title_auth	Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules
abstract	Carbon nanotubes (CNTs) are extensively adopted in the applications of biotechnology and biomedicine. Their interactions with cell membranes are of great importance for understanding the toxicity of CNTs and the application of drug delivery. In this paper, we use atomic molecular dynamics simulations to study the permeation and orientation of pristine and functionalized CNTs in a lipid bilayer. Pristine CNT (PCNT) can readily permeate into the membrane and reside in the hydrophobic region without specific orientation. The insertion of PCNTs into the lipid bilayer is robust and independent on the lengths of PCNTs. Due to the presence of hydroxyl groups on both ends of the functionalized CNT (FCNT), FCNT prefers to stand upright in the lipid bilayer center. Compared with PCNT, FCNT is more suitable to be a bridge connecting the inner and outer lipid membrane. The inserted CNTs have no distinct effects on membrane structure. However, they may block the ion channels. In addition, preliminary explorations on the transport properties of CNTs show that the small hydrophobic molecule carbon dioxide can enter both PCNT and FCNT hollow channels. However, hydrophilic molecule urea is prone to penetrate the PCNT but finds it difficult to enter the FCNT. These results may provide new insights into the internalization of CNT in the lipid membrane and the transport properties of CNTs when embedded therein.
abstractGer	Carbon nanotubes (CNTs) are extensively adopted in the applications of biotechnology and biomedicine. Their interactions with cell membranes are of great importance for understanding the toxicity of CNTs and the application of drug delivery. In this paper, we use atomic molecular dynamics simulations to study the permeation and orientation of pristine and functionalized CNTs in a lipid bilayer. Pristine CNT (PCNT) can readily permeate into the membrane and reside in the hydrophobic region without specific orientation. The insertion of PCNTs into the lipid bilayer is robust and independent on the lengths of PCNTs. Due to the presence of hydroxyl groups on both ends of the functionalized CNT (FCNT), FCNT prefers to stand upright in the lipid bilayer center. Compared with PCNT, FCNT is more suitable to be a bridge connecting the inner and outer lipid membrane. The inserted CNTs have no distinct effects on membrane structure. However, they may block the ion channels. In addition, preliminary explorations on the transport properties of CNTs show that the small hydrophobic molecule carbon dioxide can enter both PCNT and FCNT hollow channels. However, hydrophilic molecule urea is prone to penetrate the PCNT but finds it difficult to enter the FCNT. These results may provide new insights into the internalization of CNT in the lipid membrane and the transport properties of CNTs when embedded therein.
abstract_unstemmed	Carbon nanotubes (CNTs) are extensively adopted in the applications of biotechnology and biomedicine. Their interactions with cell membranes are of great importance for understanding the toxicity of CNTs and the application of drug delivery. In this paper, we use atomic molecular dynamics simulations to study the permeation and orientation of pristine and functionalized CNTs in a lipid bilayer. Pristine CNT (PCNT) can readily permeate into the membrane and reside in the hydrophobic region without specific orientation. The insertion of PCNTs into the lipid bilayer is robust and independent on the lengths of PCNTs. Due to the presence of hydroxyl groups on both ends of the functionalized CNT (FCNT), FCNT prefers to stand upright in the lipid bilayer center. Compared with PCNT, FCNT is more suitable to be a bridge connecting the inner and outer lipid membrane. The inserted CNTs have no distinct effects on membrane structure. However, they may block the ion channels. In addition, preliminary explorations on the transport properties of CNTs show that the small hydrophobic molecule carbon dioxide can enter both PCNT and FCNT hollow channels. However, hydrophilic molecule urea is prone to penetrate the PCNT but finds it difficult to enter the FCNT. These results may provide new insights into the internalization of CNT in the lipid membrane and the transport properties of CNTs when embedded therein.
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title_short	Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules
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In addition, preliminary explorations on the transport properties of CNTs show that the small hydrophobic molecule carbon dioxide can enter both PCNT and FCNT hollow channels. However, hydrophilic molecule urea is prone to penetrate the PCNT but finds it difficult to enter the FCNT. 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Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules

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