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|Title:||Modeling the Structure-Property Relationships of Nanoneedles: A Journey Toward Nanomedicine|
|Authors:||POATER Albert; GALLEGOS SALINER Ana; CARBO-DORCA Ramon; POATER Jordi; SOLA Miquel; CAVALLO Luigi; WORTH Andrew|
|Citation:||JOURNAL OF COMPUTATIONAL CHEMISTRY vol. 30 no. 2 p. 275-284|
|Publisher:||JOHN WILEY & SONS INC|
|JRC Publication N°:||JRC56827|
|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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