Poater Albert, Saliner Ana Gallegos, Carbó-Dorca Ramon, Poater Jordi, Solà Miquel, Cavallo Luigi, Worth Andrew P
Dipartimento di Chimica, Università di Salerno, Via Ponte don Melillo, I-84084 Fisciano (SA), Italy.
J Comput Chem. 2009 Jan 30;30(2):275-84. doi: 10.1002/jcc.21041.
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.
纳米级别的创新生物医学技术正在治疗领域得到发展，包括先进的药物递送系统和靶向纳米疗法。超薄针为分子递送和细胞操作提供了一种低侵入性且高度选择性的手段。本文通过使用量子化学计算建模方法，研究了由4个、6个和8个碳原子单元形成的一系列堆积碳纳米针（CNN）的几何结构和稳定性。在无限长的极限情况下，这些CNN可能会充当半导体，尤其是当末端单元数量增加时。CNN还具有在其结构周围稳定离子的潜力。因此，由于CNN的非极性特性及其携带离子物种的能力，它们将适合作为药物载体穿过非极性生物介质。
