computer-aided design of nanocapsules for therapeutic delivery
Clicks: 180
ID: 246704
2009
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This
article has not been analysed, so there is no overall score —
reader engagement is measured and shown alongside.
Reader Engagement
Popular Article
30.0
/100
180 views
25 readers
AI Quality Assessment
Not analyzed
Readership in this journal
PopularRanked #86 of 191 articles by views in advanced functional materials
Most read
Least read
Bar heights use a square-root scale. Only the 120 most-read articles are drawn; the journal has 191 in total.
Mint this article as an NFT
Not yet mintedCreate a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.
5
SUSD
one-off · no wallet required
Abstract
The design of nanocapsules for targeted delivery of therapeutics presents many, often seemingly self-contradictory, constraints. An algorithm for predicting the physico-chemical characteristics of nanocapsule delivery and payload release using a novel all-atom, multiscale technique is presented. This computational method preserves key atomic-scale behaviours needed to make predictions of interactions of functionalized nanocapsules with the cell surface receptors, drug, siRNA, gene or other payload. We show how to introduce a variety of order parameters with distinct character to enable a multiscale analysis of a complex system. The all-atom formulation allows for the use of an interatomic force field, making the approach universal and avoiding recalibration with each new application. Alternatively, key parameters, which minimize the need for calibration, are also identified. Simultaneously, the methodology enables predictions of the supra-nanometer-scale behaviour, such as structural transitions and disassembly of the nanocapsule accompanying timed payload release or due to premature degradation. The final result is a Fokker–Planck equation governing the rate of stochastic payload release and structural changes and migration accompanying it. A novel “salt shaker” effect that underlies fluctuation-enhancement of payload delivery is presented. Prospects for computer-aided design of nanocapsule delivery system are discussed.
| Reference Key |
shreif2009computationalcomputer-aided
Use this key to autocite in the manuscript while using
SciMatic Manuscript Manager or Thesis Manager
|
|---|---|
| Authors | ;Zeina Shreif;Peter Ortoleva |
| Journal | advanced functional materials |
| Year | 2009 |
| DOI |
10.1080/17486700802154593
|
| URL | |
| Keywords |
Citations
No citations found. To add a citation, contact the admin at info@scimatic.org
Comments
No comments yet. Be the first to comment on this article.