日本語
 
Help Privacy Policy ポリシー/免責事項
  詳細検索ブラウズ

アイテム詳細

  A multiscale coarse-grained model to predict the molecular architecture and drug transport properties of modified chitosan hydrogels

Singhal, A., Schneible, J. D., Lilova, R. L., Hall, C. K., Menegatti, S., & Grafmüller, A. (2020). A multiscale coarse-grained model to predict the molecular architecture and drug transport properties of modified chitosan hydrogels. Soft Matter. doi:10.1039/D0SM01243B.

Item is

基本情報

表示: 非表示:
アイテムのパーマリンク: https://hdl.handle.net/21.11116/0000-0007-63E5-7 版のパーマリンク: https://hdl.handle.net/21.11116/0000-0007-63E6-6
資料種別: 学術論文

ファイル

表示: ファイル

関連URL

表示:

作成者

表示:
非表示:
 作成者:
Singhal, Ankush1, 著者           
Schneible, John D., 著者
Lilova, Radina L., 著者
Hall, Carol K., 著者
Menegatti, Stefano, 著者
Grafmüller, Andrea1, 著者           
所属:
1Andrea Grafmüller, Theorie & Bio-Systeme, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863323              

内容説明

表示:
非表示:
キーワード: -
 要旨:
Hydrogels constructed with functionalized polysaccharides are of interest in a multitude of applications, chiefly the design of therapeutic and regenerative formulations. Tailoring the chemical modification of polysaccharide-based hydrogels to achieve specific drug release properties involves the optimization of many tunable parameters, including (i) the type, degree (χ), and pattern of the functional groups, (ii) the water–polymer ratio, and (iii) the drug payload. To guide the design of modified polysaccharide hydrogels for drug release, we have developed a computational toolbox that predicts the structure and physicochemical properties of acylated chitosan chains, and their impact on the transport of drug molecules. Herein, we present a multiscale coarse-grained model to investigate the structure of networks of chitosan chains modified with acetyl, butanoyl, or heptanoyl moieties, as well as the diffusion of drugs doxorubicin (Dox) and gemcitabine (Gem) through the resulting networks. The model predicts the formation of different network structures, in particular the hydrophobically-driven transition from a uniform to a cluster/channel morphology and the formation of fibers of chitin chains. The model also describes the impact of structural and physicochemical properties on drug transport, which was confirmed experimentally by measuring Dox and Gem diffusion through an ensemble of modified chitosan hydrogels.

資料詳細

表示:
非表示:
言語: eng - English
 日付: 2020-10-27
 出版の状態: オンラインで出版済み
 ページ: -
 出版情報: -
 目次: -
 査読: -
 識別子(DOI, ISBNなど): DOI: 10.1039/D0SM01243B
BibTex参照ID: D0SM01243B
 学位: -

関連イベント

表示:

訴訟

表示:

Project information

表示:

出版物 1

表示:
非表示:
出版物名: Soft Matter
  省略形 : Soft Matter
種別: 学術雑誌
 著者・編者:
所属:
出版社, 出版地: Cambridge, UK : Royal Society of Chemistry
ページ: - 巻号: - 通巻号: - 開始・終了ページ: - 識別子(ISBN, ISSN, DOIなど): ISSN: 1744-683X