Modeling the structure‐property relationships of nanoneedles: A journey toward nanomedicine

@article{Poater2009ModelingTS,
  title={Modeling the structure‐property relationships of nanoneedles: A journey toward nanomedicine},
  author={Albert Poater and Ana Gallegos Saliner and Ramon Carb{\'o}-Dorca and Jordi Poater and Miquel Sol{\`a} and Luigi Cavallo and Andrew Paul Worth},
  journal={Journal of Computational Chemistry},
  year={2009},
  volume={30}
}
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… 
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69 Citations

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Challenges in modelling nanoparticles for drug delivery
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    Journal of physics. Condensed matter : an Institute of Physics journal
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References

SHOWING 1-10 OF 77 REFERENCES
Cellular uptake of functionalized carbon nanotubes is independent of functional group and cell type.
TLDR
Various types of functionalized carbon nanotubes (f-CNTs) exhibit a capacity to be taken up by a wide range of cells and can intracellularly traffic through different cellular barriers.
Functionalized carbon nanotubes as emerging nanovectors for the delivery of therapeutics.
Encapsulation of drug nanoparticles in self-assembled macromolecular nanoshells.
TLDR
The polymeric nanoshell on the surface of the drug nanoparticle provides a template upon which surface modifications can be made to create a stealth or targeted drug delivery system.
The Electronic Structures and Properties of Open-Ended and Capped Carbon Nanoneedles
TLDR
Signs are found that if the CNN (3, 0) structures are very long (in the limit of infinite-length), then they are likely to have semiconducting properties and could possibly be used as actual semiconductors.
Polymeric worm micelles as nano-carriers for drug delivery.
TLDR
W worm micelles as blends of degradable polylactic acid and inert block copolymer amphiphiles were prepared for controlled release and initial study of carrier transport through nano-porous media, suggesting a new class of hydrophobic drug nano-carriers that are capable of tissue permeation as well as controlled release.
Functionalized carbon nanotubes in drug design and discovery.
TLDR
CNTs open innumerable possibilities for future drug discovery based on intracellular targets that have been hard to reach until today, and adequately functionalized CNTs as those shown in this Account can be rapidly eliminated from the body following systemic administration offering further encouragement for their development.
Stability and Electronic Properties of Nitrogen Nanoneedles and Nanotubes
The electronic structures and stability of nitrogen nanostructures, nanotubes, and fiberlike nanoneedles of various diameters, formed by units N2m (m = 2-6), were studied by quantum chemistry…
Nano-oncology: drug delivery, imaging, and sensing
TLDR
Most of the current nanoparticle toolset for therapeutic release by liposomes, dendrimers, smart polymers, and virus-based systems are outlined and advantages of nanoparticle-based imaging and targeting by use of nanoshells and quantum dots are explored.
Nano-engineering block copolymer aggregates for drug delivery
Nanosized cationic hydrogels for drug delivery: preparation, properties and interactions with cells.
...
...