scholarly journals The structure and Diffraction by Chiral Nanotubes of Arbitrary Composition

2012 ◽  
Vol 6 (2) ◽  
pp. 167-177 ◽  
Author(s):  
Oleg Figovsky ◽  
◽  
Dmitry Pashin ◽  
Zufar Khalitov ◽  
Diana Valeeva Diana Valeeva ◽  
...  
Keyword(s):  
Arbitrary Composition ◽  
Chiral Nanotubes

scholarly journals Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1586
Author(s):  
Leonor Contreras ◽  
Ignacio Villarroel ◽  
Camila Torres ◽  
Roberto Rozas
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Drug Delivery Systems ◽  
Nitrogen Doping ◽  
Drug Carriers ◽  
Acidic Ph ◽  
Free Energies ◽  
Interaction Forces ◽  
Chiral Nanotubes ◽  
Binding Free Energies

Doxorubicin (DOX), a recognized anticancer drug, forms stable associations with carbon nanotubes (CNTs). CNTs when properly functionalized have the ability to anchor directly in cancerous tumors where the release of the drug occurs thanks to the tumor slightly acidic pH. Herein, we study the armchair and zigzag CNTs with Stone–Wales (SW) defects to rank their ability to encapsulate DOX by determining the DOX-CNT binding free energies using the MM/PBSA and MM/GBSA methods implemented in AMBER16. We investigate also the chiral CNTs with haeckelite defects. Each haeckelite defect consists of a pair of square and octagonal rings. The armchair and zigzag CNT with SW defects and chiral nanotubes with haeckelite defects predict DOX-CNT interactions that depend on the length of the nanotube, the number of present defects and nitrogen doping. Chiral nanotubes having two haeckelite defects reveal a clear dependence on the nitrogen content with DOX-CNT interaction forces decreasing in the order 0N > 4N > 8N. These results contribute to a further understanding of drug-nanotube interactions and to the design of new drug delivery systems based on CNTs.

scholarly journals Stereochemistry of Simple Molecules inside Nanotubes and Fullerenes: Unusual Behavior of Usual Systems

Molecules ◽  
2020 ◽  
Vol 25 (10) ◽  
pp. 2437 ◽  
Author(s):  
Valerij Kuznetsov
Keyword(s):  
Force Field ◽  
Electron Systems ◽  
Unusual Behavior ◽  
Endohedral Complexes ◽  
Guest Species ◽  
Cis And Trans Isomers ◽  
Covalently Bonded ◽  
Simple Molecules ◽  
Cis And Trans ◽  
Chiral Nanotubes

Over the past three decades, carbon nanotubes and fullerenes have become remarkable objects for starting the implementation of new models and technologies in different branches of science. To a great extent, this is defined by the unique electronic and spatial properties of nanocavities due to the ramified π-electron systems. This provides an opportunity for the formation of endohedral complexes containing non-covalently bonded atoms or molecules inside fullerenes and nanotubes. The guest species are exposed to the force field of the nanocavity, which can be described as a combination of electronic and steric requirements. Its action significantly changes conformational properties of even relatively simple molecules, including ethane and its analogs, as well as compounds with C−O, C−S, B−B, B−O, B−N, N−N, Al−Al, Si−Si and Ge−Ge bonds. Besides that, the cavity of the host molecule dramatically alters the stereochemical characteristics of cyclic and heterocyclic systems, affects the energy of pyramidal nitrogen inversion in amines, changes the relative stability of cis and trans isomers and, in the case of chiral nanotubes, strongly influences the properties of R- and S-enantiomers. The present review aims at primary compilation of such unusual stereochemical effects and initial evaluation of the nature of the force field inside nanotubes and fullerenes.

Insitu Observation of the Formation Dynamics of Nanohelices

2006 ◽  
Vol 924 ◽  
Author(s):  
Terence Yeoh ◽  
Maribeth Mason ◽  
Zack Feinberg ◽  
Martin Leung ◽  
Mehmet Tasci ◽  
...  
Keyword(s):  
Focused Ion Beam ◽  
Ion Beam ◽  
Relaxation Dynamics ◽  
Strain Relief ◽  
Formation Dynamics ◽  
Time Required ◽  
Chiral Nanotubes

ABSTRACTStrained InGaAs/GaAs bridges were released by a focused ion beam in order to observe the relaxation dynamics of the structure. Releasing the bridges resulted in the formation of chiral nanotubes with diameter of 920 nm and length 8.5 microns. The total time required for nanoscroll formation took > 20 minutes. From observing the scrolling action through time, it was found that the strain relief process differed from traditional wet etched nanoscrolls due to the simultaneous relief of strain from the released structures.

Analysis of the Relationship between Reaction Energies of Electrophilic SWNT Additions and Sidewall Curvature: Chiral Nanotubes

2008 ◽  
Vol 112 (33) ◽  
pp. 12697-12705 ◽  
Author(s):  
Zhi Wang ◽  
Stephan Irle ◽  
Guishan Zheng ◽  
Keiji Morokuma
Keyword(s):  
Reaction Energies ◽  
Chiral Nanotubes ◽  
The Relationship

Self-Assembled Ultralong Chiral Nanotubes and Tuning of Their Chirality Through the Mixing of Enantiomeric Components

2010 ◽  
Vol 16 (27) ◽  
pp. 8034-8040 ◽  
Author(s):  
Xuefeng Zhu ◽  
Yuangang Li ◽  
Pengfei Duan ◽  
Minghua Liu
Keyword(s):  
Self Assembled ◽  
Chiral Nanotubes

scholarly journals STRONG CORRELATION EFFECTS IN SINGLE-WALL CARBON NANOTUBES

2008 ◽  
Vol 22 (30) ◽  
pp. 5235-5260 ◽  
Author(s):  
SAM T. CARR
Keyword(s):  
Carbon Nanotubes ◽  
Strong Correlation ◽  
Low Energy ◽  
Single Wall Carbon Nanotubes ◽  
Correlation Effects ◽  
Strong Correlations ◽  
Future Directions ◽  
Zigzag Nanotubes ◽  
Single Wall Carbon ◽  
Chiral Nanotubes

We present an overview of strong correlations in single-wall carbon nanotubes, and an introduction to the techniques used to study them theoretically. We concentrate on zigzag nanotubes, although universality dictates that much of the theory can also be applied to armchair or chiral nanotubes. We show how interaction effects lead to exotic low energy properties and discuss future directions for studies on correlation effects in nanotubes.

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