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...
Ausführliche Beschreibung
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] |
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Format: |
E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2019 |
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Übergeordnetes Werk: |
In: Applied Sciences - MDPI AG, 2012, 9(2019), 20, p 4271 |
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Übergeordnetes Werk: |
volume:9 ; year:2019 ; number:20, p 4271 |
Links: |
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DOI / URN: |
10.3390/app9204271 |
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Katalog-ID: |
DOAJ013635115 |
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10.3390/app9204271 doi (DE-627)DOAJ013635115 (DE-599)DOAJc9c519962e1d440490878a292a6fafa5 DE-627 ger DE-627 rakwb eng TA1-2040 QH301-705.5 QC1-999 QD1-999 Yiyi Gao verfasserin aut Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. carbon nanotube lipid bilayer translocation molecular dynamics simulation Technology T Engineering (General). Civil engineering (General) Biology (General) Physics Chemistry Dangxin Mao verfasserin aut Jun Wu verfasserin aut Xiaogang Wang verfasserin aut Zhikun Wang verfasserin aut Guoquan Zhou verfasserin aut Liang Chen verfasserin aut Junlang Chen verfasserin aut Songwei Zeng verfasserin aut In Applied Sciences MDPI AG, 2012 9(2019), 20, p 4271 (DE-627)737287640 (DE-600)2704225-X 20763417 nnns volume:9 year:2019 number:20, p 4271 https://doi.org/10.3390/app9204271 kostenfrei https://doaj.org/article/c9c519962e1d440490878a292a6fafa5 kostenfrei https://www.mdpi.com/2076-3417/9/20/4271 kostenfrei https://doaj.org/toc/2076-3417 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 9 2019 20, p 4271 |
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10.3390/app9204271 doi (DE-627)DOAJ013635115 (DE-599)DOAJc9c519962e1d440490878a292a6fafa5 DE-627 ger DE-627 rakwb eng TA1-2040 QH301-705.5 QC1-999 QD1-999 Yiyi Gao verfasserin aut Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. carbon nanotube lipid bilayer translocation molecular dynamics simulation Technology T Engineering (General). Civil engineering (General) Biology (General) Physics Chemistry Dangxin Mao verfasserin aut Jun Wu verfasserin aut Xiaogang Wang verfasserin aut Zhikun Wang verfasserin aut Guoquan Zhou verfasserin aut Liang Chen verfasserin aut Junlang Chen verfasserin aut Songwei Zeng verfasserin aut In Applied Sciences MDPI AG, 2012 9(2019), 20, p 4271 (DE-627)737287640 (DE-600)2704225-X 20763417 nnns volume:9 year:2019 number:20, p 4271 https://doi.org/10.3390/app9204271 kostenfrei https://doaj.org/article/c9c519962e1d440490878a292a6fafa5 kostenfrei https://www.mdpi.com/2076-3417/9/20/4271 kostenfrei https://doaj.org/toc/2076-3417 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 9 2019 20, p 4271 |
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10.3390/app9204271 doi (DE-627)DOAJ013635115 (DE-599)DOAJc9c519962e1d440490878a292a6fafa5 DE-627 ger DE-627 rakwb eng TA1-2040 QH301-705.5 QC1-999 QD1-999 Yiyi Gao verfasserin aut Carbon Nanotubes Translocation through a Lipid Membrane and Transporting Small Hydrophobic and Hydrophilic Molecules 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier 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. carbon nanotube lipid bilayer translocation molecular dynamics simulation Technology T Engineering (General). Civil engineering (General) Biology (General) Physics Chemistry Dangxin Mao verfasserin aut Jun Wu verfasserin aut Xiaogang Wang verfasserin aut Zhikun Wang verfasserin aut Guoquan Zhou verfasserin aut Liang Chen verfasserin aut Junlang Chen verfasserin aut Songwei Zeng verfasserin aut In Applied Sciences MDPI AG, 2012 9(2019), 20, p 4271 (DE-627)737287640 (DE-600)2704225-X 20763417 nnns volume:9 year:2019 number:20, p 4271 https://doi.org/10.3390/app9204271 kostenfrei https://doaj.org/article/c9c519962e1d440490878a292a6fafa5 kostenfrei https://www.mdpi.com/2076-3417/9/20/4271 kostenfrei https://doaj.org/toc/2076-3417 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 9 2019 20, p 4271 |
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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. |
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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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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. 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