Probing the self-assembly dynamics and internal structure of amphiphilic hyaluronic acid conjugates by fluorescence spectroscopy and molecular dynamics simulations

Denis Svechkarev, Alexander Kyrychenko, William M. Payne, Aaron M Mohs

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Polymeric nanoparticles are increasingly used as biocompatible carriers for drugs and imaging agents. Understanding their self-assembly dynamics and morphology is of ultimate importance to develop nanoformulations with optimal characteristics. To achieve better performance, it is vital to account for cargo-carrier interactions at the molecular level. The self-assembly dynamics were studied and the internal structure of nanoparticles derived from a series of hydrophobically modified hyaluronic acid was revealed. Environment-sensitive ratiometric fluorescent probes provide valuable information about the nanoparticle's interior morphology, and molecular dynamics simulations complement the overall picture with insights into intramolecular and intermolecular interactions of the polymer, as well as its interactions with the small-molecule load. van der Waals and π-π interactions of the hydrophobic side fragments play a leading role in self-assembly and loading of hydrophobic small molecules. Aliphatic substituents form more extensive hydrophobic domains, while aromatic moieties allow more interaction of the loaded small molecules with the surrounding solvent.

Original languageEnglish (US)
Pages (from-to)4762-4771
Number of pages10
JournalSoft Matter
Volume14
Issue number23
DOIs
StatePublished - Jan 1 2018

Fingerprint

Fluorescence spectroscopy
Hyaluronic Acid
Self assembly
Molecular dynamics
self assembly
molecular dynamics
Nanoparticles
fluorescence
acids
Molecules
Computer simulation
spectroscopy
Drug Carriers
simulation
nanoparticles
interactions
Fluorescent Dyes
Polymers
molecules
cargo

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics

Cite this

Probing the self-assembly dynamics and internal structure of amphiphilic hyaluronic acid conjugates by fluorescence spectroscopy and molecular dynamics simulations. / Svechkarev, Denis; Kyrychenko, Alexander; Payne, William M.; Mohs, Aaron M.

In: Soft Matter, Vol. 14, No. 23, 01.01.2018, p. 4762-4771.

Research output: Contribution to journalArticle

@article{23dc80e6fe6e4b14baae2af10b0e0d7f,
title = "Probing the self-assembly dynamics and internal structure of amphiphilic hyaluronic acid conjugates by fluorescence spectroscopy and molecular dynamics simulations",
abstract = "Polymeric nanoparticles are increasingly used as biocompatible carriers for drugs and imaging agents. Understanding their self-assembly dynamics and morphology is of ultimate importance to develop nanoformulations with optimal characteristics. To achieve better performance, it is vital to account for cargo-carrier interactions at the molecular level. The self-assembly dynamics were studied and the internal structure of nanoparticles derived from a series of hydrophobically modified hyaluronic acid was revealed. Environment-sensitive ratiometric fluorescent probes provide valuable information about the nanoparticle's interior morphology, and molecular dynamics simulations complement the overall picture with insights into intramolecular and intermolecular interactions of the polymer, as well as its interactions with the small-molecule load. van der Waals and π-π interactions of the hydrophobic side fragments play a leading role in self-assembly and loading of hydrophobic small molecules. Aliphatic substituents form more extensive hydrophobic domains, while aromatic moieties allow more interaction of the loaded small molecules with the surrounding solvent.",
author = "Denis Svechkarev and Alexander Kyrychenko and Payne, {William M.} and Mohs, {Aaron M}",
year = "2018",
month = "1",
day = "1",
doi = "10.1039/c8sm00908b",
language = "English (US)",
volume = "14",
pages = "4762--4771",
journal = "Soft Matter",
issn = "1744-683X",
publisher = "Royal Society of Chemistry",
number = "23",

}

TY - JOUR

T1 - Probing the self-assembly dynamics and internal structure of amphiphilic hyaluronic acid conjugates by fluorescence spectroscopy and molecular dynamics simulations

AU - Svechkarev, Denis

AU - Kyrychenko, Alexander

AU - Payne, William M.

AU - Mohs, Aaron M

PY - 2018/1/1

Y1 - 2018/1/1

N2 - Polymeric nanoparticles are increasingly used as biocompatible carriers for drugs and imaging agents. Understanding their self-assembly dynamics and morphology is of ultimate importance to develop nanoformulations with optimal characteristics. To achieve better performance, it is vital to account for cargo-carrier interactions at the molecular level. The self-assembly dynamics were studied and the internal structure of nanoparticles derived from a series of hydrophobically modified hyaluronic acid was revealed. Environment-sensitive ratiometric fluorescent probes provide valuable information about the nanoparticle's interior morphology, and molecular dynamics simulations complement the overall picture with insights into intramolecular and intermolecular interactions of the polymer, as well as its interactions with the small-molecule load. van der Waals and π-π interactions of the hydrophobic side fragments play a leading role in self-assembly and loading of hydrophobic small molecules. Aliphatic substituents form more extensive hydrophobic domains, while aromatic moieties allow more interaction of the loaded small molecules with the surrounding solvent.

AB - Polymeric nanoparticles are increasingly used as biocompatible carriers for drugs and imaging agents. Understanding their self-assembly dynamics and morphology is of ultimate importance to develop nanoformulations with optimal characteristics. To achieve better performance, it is vital to account for cargo-carrier interactions at the molecular level. The self-assembly dynamics were studied and the internal structure of nanoparticles derived from a series of hydrophobically modified hyaluronic acid was revealed. Environment-sensitive ratiometric fluorescent probes provide valuable information about the nanoparticle's interior morphology, and molecular dynamics simulations complement the overall picture with insights into intramolecular and intermolecular interactions of the polymer, as well as its interactions with the small-molecule load. van der Waals and π-π interactions of the hydrophobic side fragments play a leading role in self-assembly and loading of hydrophobic small molecules. Aliphatic substituents form more extensive hydrophobic domains, while aromatic moieties allow more interaction of the loaded small molecules with the surrounding solvent.

UR - http://www.scopus.com/inward/record.url?scp=85048562005&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85048562005&partnerID=8YFLogxK

U2 - 10.1039/c8sm00908b

DO - 10.1039/c8sm00908b

M3 - Article

C2 - 29799600

AN - SCOPUS:85048562005

VL - 14

SP - 4762

EP - 4771

JO - Soft Matter

JF - Soft Matter

SN - 1744-683X

IS - 23

ER -