Title: Modeling the Structure-Property Relationships of Nanoneedles: A Journey Toward Nanomedicine
Authors: POATER AlbertGALLEGOS SALINER AnaCARBO-DORCA RamonPOATER JordiSOLA MiquelCAVALLO LuigiWORTH Andrew
Citation: JOURNAL OF COMPUTATIONAL CHEMISTRY vol. 30 no. 2 p. 275-284
Publisher: JOHN WILEY & SONS INC
Publication Year: 2009
JRC Publication N°: JRC56827
ISSN: 0192-8651
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC56827
DOI: 10.1002/jcc.21041
Type: Articles in Journals
Abstract: Innovative biomedical techniques operational at the nanoscale level are being developed in therapeutics, including advanced drug delivery systems and targeted nanotherapy. Ultrathin needles provide a low invasive and highly selective means for molecular delivery and cell manipulation. This article studies the geometry and the stability of a family of packed carbon nanoneedles (CNNs) formed by units of 4, 6, and 8 carbons, by using quantum chemistry computational modeling methods. At the limit of infinite-length, these CNNs might act as semiconductors, especially when the number of terminal units is increased. CNNs are also potentially able to stabilize ions around their structure. Therefore, due to the apolar characteristics of CNNs and their ability to carry ionic species, they would be suitable to act as drug carriers through nonpolar biologic media.
JRC Institute:Institute for Health and Consumer Protection

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