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231225s2018 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.8b00646
|2 doi
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|a eng
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|a Angelerou, Maria G F
|e verfasserin
|4 aut
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|a Supramolecular Nucleoside-Based Gel
|b Molecular Dynamics Simulation and Characterization of Its Nanoarchitecture and Self-Assembly Mechanism
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|c 2018
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 29.03.2019
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|a Date Revised 22.07.2024
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|a published: Print-Electronic
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|a ErratumIn: Langmuir. 2019 Feb 19;35(7):2885. doi: 10.1021/acs.langmuir.9b00009. - PMID 30730748
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|a Citation Status MEDLINE
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|a Among the diversity of existing supramolecular hydrogels, nucleic acid-based hydrogels are of particular interest for potential drug delivery and tissue engineering applications because of their inherent biocompatibility. Hydrogel performance is directly related to the nanostructure and the self-assembly mechanism of the material, an aspect that is not well-understood for nucleic acid-based hydrogels in general and has not yet been explored for cytosine-based hydrogels in particular. Herein, we use a broad range of experimental characterization techniques along with molecular dynamics (MD) simulation to demonstrate the complementarity and applicability of both approaches for nucleic acid-based gelators in general and propose the self-assembly mechanism for a novel supramolecular gelator, N4-octanoyl-2'-deoxycytidine. The experimental data and the MD simulation are in complete agreement with each other and demonstrate the formation of a hydrophobic core within the fibrillar structures of these mainly water-containing materials. The characterization of the distinct duality of environments in this cytidine-based gel will form the basis for further encapsulation of both small hydrophobic drugs and biopharmaceuticals (proteins and nucleic acids) for drug delivery and tissue engineering applications
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Hydrogels
|2 NLM
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|a Frederix, Pim W J M
|e verfasserin
|4 aut
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|a Wallace, Matthew
|e verfasserin
|4 aut
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|a Yang, Bin
|e verfasserin
|4 aut
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|a Rodger, Alison
|e verfasserin
|4 aut
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|a Adams, Dave J
|e verfasserin
|4 aut
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|a Marlow, Maria
|e verfasserin
|4 aut
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|a Zelzer, Mischa
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 34(2018), 23 vom: 12. Juni, Seite 6912-6921
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:34
|g year:2018
|g number:23
|g day:12
|g month:06
|g pages:6912-6921
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|u http://dx.doi.org/10.1021/acs.langmuir.8b00646
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