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In Silico Designed, Self-Assembled, Functionalized Single-Walled Carbon Nanotubes and, Deoxyribose Nucleic Acids (f-SW-CNT-DNA) Bioconjugate as Probable Biomolecular Transporters

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Functionalized single-walled carbon nanotube (f-CNT) and, supramolecular 300 bps deoxyribose nucleic acid (DNA) conjugate models were generated in silico as intended molecular transporters using HyperChem® 7.5 molecular modeling software. The physico-chemical characteristics and, conjugate geometries for different sets of CNT-DNA composition conjugates with varying molecular masses and, componential ratios in empirical and, non-empirical sets along with the binding patterns and, feasibility of conjugation at varying CNT sites were carried out. The configurations of nanoarchitecture in self-assembling process, geometrical and, configurational deformity among the congenial components and, resultant conjugates, the stability, energy levels and, hydrophilicity were estimated. The characteristics of CNT-DNA conjugate with componential ratios of 1:2 were found optimal with molecular weight ratios ranging between single f-CNT of 2300 amu with two units of DNA of either 75 bps or, of 150 bps length wherein later was intended for heavy ligands uploading as molecular transporters for various biochemical and, cellular engagements.
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Keywords: CNT-BIOCONJUGATE; CNT-DNA CONJUGATE; CNT-DNA CONJUGATE SELF-ASSEMBLY; COMPUTATIONAL MODELING; CONFORMATIONAL DEFORMITY; DEOXYRIBOSE NUCLEIC ACID (DNA); DNA BASED DELIVERY; ENERGY MINIMIZATIONS; FUNCTIONALIZED CARBON NANOTUBES (F-CNT); MOLECULAR GRAPHICS; MOLECULAR TRANSPORTERS; PARTITION COEFFICIENT

Document Type: Research Article

Publication date: October 1, 2013

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  • Bionanoscience attempts to harness various functions of biological macromolecules and integrate them with engineering for technological applications. It is based on a bottom-up approach and encompasses structural biology, biomacromolecular engineering, material science, and engineering, extending the horizon of material science. The journal aims at publication of (i) Letters (ii) Reviews (3) Concepts (4) Rapid communications (5) Research papers (6) Book reviews (7) Conference announcements in the interface between chemistry, physics, biology, material science, and technology. The use of biological macromolecules as sensors, biomaterials, information storage devices, biomolecular arrays, molecular machines is significantly increasing. The traditional disciplines of chemistry, physics, and biology are overlapping and coalescing with nanoscale science and technology. Currently research in this area is scattered in different journals and this journal seeks to bring them under a single umbrella to ensure highest quality peer-reviewed research for rapid dissemination in areas that are in the forefront of science and technology which is witnessing phenomenal and accelerated growth.
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