Linear polarizability of carbon nanotubes bonded to maleimide derivative and fluorescent probe Nile red

• Published in: Computational materials science Vol. 46; no. 1; pp. 112 - 114
• Main Authors: Ogloblya, O.V., Strzhemechny, Y.M., Kuznetsova, G.M., Prylutskyy, Yu.I., Billups, W.E.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01-07-2009; Elsevier
• Subjects: Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Maleimide derivatives; Neoplastic cell; Physics; Protein kinase; Single-walled carbon nanotube; Su-Schrieffer-Heeger model; 33.15.Kr; Neoplastic cell; 87.64.kv; Maleimide derivatives; Protein kinase; 78.67.Ch; Single-walled carbon nanotube; Su-Schrieffer-Heeger model; 31.15.ap; 32.50.+d; 61.46.Fg; Polarizability; Toxicity; Carbon nanotubes; Proteins; Singlewalled nanotube; Optical spectrum
• ISSN: 0927-0256; 1879-0801
• DOI: 10.1016/j.commatsci.2009.02.010

In many cases neoplastic transformations are induced by an uncontrolled activity of membrane-bonded protein kinases. The protein kinases can be blocked in the sub-membrane region if a medication generates localized activity specifically in this region. In our work, for such task we propose single-walled carbon nanotubes with a maleimide derivative at one end and a fluorescent probe at another. A conventional Su-Schrieffer-Heeger model was generalized to include molecules composed not of carbon species only. Calculations of the optical polarizability spectrum of the proposed molecule were carried out. A method is suggested for probing the efficiency of the protein kinases blocking by monitoring changes in the polarizability spectra of the proposed molecules. To solve the problem of toxicity of the maleimide derivative metabolites we also propose a possible application of the modeled molecule with a small nanotube diameter.