Assess the intramolecular cavity of a PAMAM dendrimer in aqueous solution by small-angle neutron scattering

Tianfu Li; Kunlun Hong; Lionel Porcar; Rafael Verduzco; Paul D. Butler; Gregory S. Smith; Yun Liu; Wei Ren Chen

doi:10.1021/ma801555j

Assess the intramolecular cavity of a PAMAM dendrimer in aqueous solution by small-angle neutron scattering

Tianfu Li, Kunlun Hong, Lionel Porcar, Rafael Verduzco, Paul D. Butler, Gregory S. Smith, Yun Liu, Wei Ren Chen

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Abstract

We present a contrast variation small-angle neutron scattering (SANS) study of a series of neutral PAMAM dendrimers in aqueous solutions using three different generations (G4-6) at a concentration of about 10 mg/mL. Varying the solvent hydrogen-deuterium ratio, the scattering contributions from the water molecules and the constituent components of PAMAM dendrimer can be determined. Using an analytical model of the scattering cross section I(Q) incorporating the effect of water penetration, we have quantified the intramolecular space of PAMAM dendrimer by evaluating the number of guest water molecules, and we draw a direct comparison to computational predictions. As expected, the overall available internal cavity was seen to increase as a function of increasing dendrimer generation. However, the fraction of water accessible volume of a dendrimer was found to remain invariant for the three generation PAMAM dendrimers studied in this report. We have also estimated the average water density inside a dendrimer, which is found to be higher than that of bulk water.

Original language	English
Pages (from-to)	8916-8920
Number of pages	5
Journal	Macromolecules
Volume	41
Issue number	22
DOIs	https://doi.org/10.1021/ma801555j
State	Published - Nov 25 2008
Externally published	Yes

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title = "Assess the intramolecular cavity of a PAMAM dendrimer in aqueous solution by small-angle neutron scattering",

abstract = "We present a contrast variation small-angle neutron scattering (SANS) study of a series of neutral PAMAM dendrimers in aqueous solutions using three different generations (G4-6) at a concentration of about 10 mg/mL. Varying the solvent hydrogen-deuterium ratio, the scattering contributions from the water molecules and the constituent components of PAMAM dendrimer can be determined. Using an analytical model of the scattering cross section I(Q) incorporating the effect of water penetration, we have quantified the intramolecular space of PAMAM dendrimer by evaluating the number of guest water molecules, and we draw a direct comparison to computational predictions. As expected, the overall available internal cavity was seen to increase as a function of increasing dendrimer generation. However, the fraction of water accessible volume of a dendrimer was found to remain invariant for the three generation PAMAM dendrimers studied in this report. We have also estimated the average water density inside a dendrimer, which is found to be higher than that of bulk water.",

author = "Tianfu Li and Kunlun Hong and Lionel Porcar and Rafael Verduzco and Butler, {Paul D.} and Smith, {Gregory S.} and Yun Liu and Chen, {Wei Ren}",

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T1 - Assess the intramolecular cavity of a PAMAM dendrimer in aqueous solution by small-angle neutron scattering

AU - Li, Tianfu

AU - Hong, Kunlun

AU - Porcar, Lionel

AU - Verduzco, Rafael

AU - Butler, Paul D.

AU - Smith, Gregory S.

AU - Liu, Yun

AU - Chen, Wei Ren

PY - 2008/11/25

Y1 - 2008/11/25

N2 - We present a contrast variation small-angle neutron scattering (SANS) study of a series of neutral PAMAM dendrimers in aqueous solutions using three different generations (G4-6) at a concentration of about 10 mg/mL. Varying the solvent hydrogen-deuterium ratio, the scattering contributions from the water molecules and the constituent components of PAMAM dendrimer can be determined. Using an analytical model of the scattering cross section I(Q) incorporating the effect of water penetration, we have quantified the intramolecular space of PAMAM dendrimer by evaluating the number of guest water molecules, and we draw a direct comparison to computational predictions. As expected, the overall available internal cavity was seen to increase as a function of increasing dendrimer generation. However, the fraction of water accessible volume of a dendrimer was found to remain invariant for the three generation PAMAM dendrimers studied in this report. We have also estimated the average water density inside a dendrimer, which is found to be higher than that of bulk water.

AB - We present a contrast variation small-angle neutron scattering (SANS) study of a series of neutral PAMAM dendrimers in aqueous solutions using three different generations (G4-6) at a concentration of about 10 mg/mL. Varying the solvent hydrogen-deuterium ratio, the scattering contributions from the water molecules and the constituent components of PAMAM dendrimer can be determined. Using an analytical model of the scattering cross section I(Q) incorporating the effect of water penetration, we have quantified the intramolecular space of PAMAM dendrimer by evaluating the number of guest water molecules, and we draw a direct comparison to computational predictions. As expected, the overall available internal cavity was seen to increase as a function of increasing dendrimer generation. However, the fraction of water accessible volume of a dendrimer was found to remain invariant for the three generation PAMAM dendrimers studied in this report. We have also estimated the average water density inside a dendrimer, which is found to be higher than that of bulk water.

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DO - 10.1021/ma801555j

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EP - 8920

JO - Macromolecules

JF - Macromolecules

IS - 22

ER -

Assess the intramolecular cavity of a PAMAM dendrimer in aqueous solution by small-angle neutron scattering

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