Scaling trend in diffusion coefficients of low generation G0-G3 PAMAM dendrimers in aqueous solution at high and neutral pH

Verónica A. Jiménez, José A. Gavín, Joel B. Alderete

Resultado de la investigación: Article

12 Citas (Scopus)

Resumen

Aqueous solution diffusion coefficients for G0-G3 PAMAM dendrimers were determined from DOSY-NMR spectroscopy at high and neutral pH. The study was performed in a dilute regime and diffusion coefficients at infinite dilution (D 0) were estimated from the variation of diffusion coefficients with dendrimer concentration. Hydrodynamic radii (Rh) for each dendrimer were estimated from D 0 using the Stoke-Einstein relationship at both pH. According to D 0 and R h values, the structure of G0-G1 PAMAM dendrimers is almost insensitive to pH variations, whereas G2-G3 PAMAM dendrimers undergo swelling at neutral pH, due to surface amino groups protonation. Experimental diffusion coefficients show a scaling trend with the number of dendrimer atoms (N), with scaling laws of the type D 0 ∞ N a, where a takes values of -0.39 and -0.50 at pH 12 and 7, respectively. For the first time, experimental data accounts for the scaling behavior of aqueous diffusion coefficients for low generation PAMAM dendrimers, as previously reported from molecular dynamics simulations.

Idioma originalEnglish
Páginas (desde-hasta)123-128
Número de páginas6
PublicaciónStructural Chemistry
Volumen23
N.º1
DOI
EstadoPublished - 1 feb 2012

Huella dactilar

dendrimers
diffusion coefficient
Dendrimers
aqueous solutions
trends
scaling
Scaling laws
Protonation
Nuclear magnetic resonance spectroscopy
Dilution
Swelling
Molecular dynamics
Hydrodynamics
PAMAM Starburst
swelling
scaling laws
dilution
Atoms
Computer simulation
hydrodynamics

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Citar esto

@article{e74f30fe4aa74d3487cbb6105f6be79d,
title = "Scaling trend in diffusion coefficients of low generation G0-G3 PAMAM dendrimers in aqueous solution at high and neutral pH",
abstract = "Aqueous solution diffusion coefficients for G0-G3 PAMAM dendrimers were determined from DOSY-NMR spectroscopy at high and neutral pH. The study was performed in a dilute regime and diffusion coefficients at infinite dilution (D 0) were estimated from the variation of diffusion coefficients with dendrimer concentration. Hydrodynamic radii (Rh) for each dendrimer were estimated from D 0 using the Stoke-Einstein relationship at both pH. According to D 0 and R h values, the structure of G0-G1 PAMAM dendrimers is almost insensitive to pH variations, whereas G2-G3 PAMAM dendrimers undergo swelling at neutral pH, due to surface amino groups protonation. Experimental diffusion coefficients show a scaling trend with the number of dendrimer atoms (N), with scaling laws of the type D 0 ∞ N a, where a takes values of -0.39 and -0.50 at pH 12 and 7, respectively. For the first time, experimental data accounts for the scaling behavior of aqueous diffusion coefficients for low generation PAMAM dendrimers, as previously reported from molecular dynamics simulations.",
keywords = "Diffusion coefficients, DOSY-NMR, PAMAM dendrimers, PH effects, Swelling",
author = "Jim{\'e}nez, {Ver{\'o}nica A.} and Gav{\'i}n, {Jos{\'e} A.} and Alderete, {Joel B.}",
year = "2012",
month = "2",
day = "1",
doi = "10.1007/s11224-011-9844-6",
language = "English",
volume = "23",
pages = "123--128",
journal = "Structural Chemistry",
issn = "1040-0400",
publisher = "Springer New York",
number = "1",

}

Scaling trend in diffusion coefficients of low generation G0-G3 PAMAM dendrimers in aqueous solution at high and neutral pH. / Jiménez, Verónica A.; Gavín, José A.; Alderete, Joel B.

En: Structural Chemistry, Vol. 23, N.º 1, 01.02.2012, p. 123-128.

Resultado de la investigación: Article

TY - JOUR

T1 - Scaling trend in diffusion coefficients of low generation G0-G3 PAMAM dendrimers in aqueous solution at high and neutral pH

AU - Jiménez, Verónica A.

AU - Gavín, José A.

AU - Alderete, Joel B.

PY - 2012/2/1

Y1 - 2012/2/1

N2 - Aqueous solution diffusion coefficients for G0-G3 PAMAM dendrimers were determined from DOSY-NMR spectroscopy at high and neutral pH. The study was performed in a dilute regime and diffusion coefficients at infinite dilution (D 0) were estimated from the variation of diffusion coefficients with dendrimer concentration. Hydrodynamic radii (Rh) for each dendrimer were estimated from D 0 using the Stoke-Einstein relationship at both pH. According to D 0 and R h values, the structure of G0-G1 PAMAM dendrimers is almost insensitive to pH variations, whereas G2-G3 PAMAM dendrimers undergo swelling at neutral pH, due to surface amino groups protonation. Experimental diffusion coefficients show a scaling trend with the number of dendrimer atoms (N), with scaling laws of the type D 0 ∞ N a, where a takes values of -0.39 and -0.50 at pH 12 and 7, respectively. For the first time, experimental data accounts for the scaling behavior of aqueous diffusion coefficients for low generation PAMAM dendrimers, as previously reported from molecular dynamics simulations.

AB - Aqueous solution diffusion coefficients for G0-G3 PAMAM dendrimers were determined from DOSY-NMR spectroscopy at high and neutral pH. The study was performed in a dilute regime and diffusion coefficients at infinite dilution (D 0) were estimated from the variation of diffusion coefficients with dendrimer concentration. Hydrodynamic radii (Rh) for each dendrimer were estimated from D 0 using the Stoke-Einstein relationship at both pH. According to D 0 and R h values, the structure of G0-G1 PAMAM dendrimers is almost insensitive to pH variations, whereas G2-G3 PAMAM dendrimers undergo swelling at neutral pH, due to surface amino groups protonation. Experimental diffusion coefficients show a scaling trend with the number of dendrimer atoms (N), with scaling laws of the type D 0 ∞ N a, where a takes values of -0.39 and -0.50 at pH 12 and 7, respectively. For the first time, experimental data accounts for the scaling behavior of aqueous diffusion coefficients for low generation PAMAM dendrimers, as previously reported from molecular dynamics simulations.

KW - Diffusion coefficients

KW - DOSY-NMR

KW - PAMAM dendrimers

KW - PH effects

KW - Swelling

UR - http://www.scopus.com/inward/record.url?scp=84862687922&partnerID=8YFLogxK

U2 - 10.1007/s11224-011-9844-6

DO - 10.1007/s11224-011-9844-6

M3 - Article

AN - SCOPUS:84862687922

VL - 23

SP - 123

EP - 128

JO - Structural Chemistry

JF - Structural Chemistry

SN - 1040-0400

IS - 1

ER -