Modeling the Structure-Property Relationships of Nanoneedles: A Journey Toward Nanomedicine

被引：67

作者：

Poater, Albert ^{[1
,2
]}

Gallegos Saliner, Ana ^{[2
,3
]}

Carbo-Dorca, Ramon ^{[3
]}

Poater, Jordi ^{[3
]}

Sola, Miquel ^{[3
]}

Cavallo, Luigi ^{[1
]}

Worth, Andrew P. ^{[2
]}

机构：

[1] Univ Salerno, Dipartimento Chim, I-84084 Fisciano, SA, Italy

[2] Joint Res Ctr European Commiss, Inst Hlth & Consumer Protect, ECB, I-21027 Ispra, VA, Italy

[3] Univ Girona, Dept Quim, Inst Quim Computac, E-17071 Girona, Catalonia, Spain

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 2009年 / 30卷 / 02期

关键词：

carbon nanoneedle; nanomedicine; structure-property relationships; computational modeling; chemical hardness; electrophilicity; FUNCTIONALIZED CARBON NANOTUBES; DRUG-DELIVERY; ELECTRONIC-PROPERTIES; NANO; MICROPARTICLES; NANOPARTICLES; NANOVECTORS; TOXICOLOGY; HYDROGELS; RELEASE;

D O I：

10.1002/jcc.21041

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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 semi conductors, especially when the number of terminal unit,, 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. (C) 2008 Wiley Periodicals, Inc. J Comput Chem 30: 275-284, 2009

引用

页码：275 / 284

页数：10

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