@article{ISI:000408730800015,
 abstract = {Using fully atomistic molecular dynamics simulation that are several
hundred nanoseconds long, we demonstrate the pH-controlled sponge action
of PAMAM dendrimer. We show how at varying pH levels, the PAMAM
dendrimer acts as a wet sponge; at neutral or low pH levels, the
dendrimer expands noticeably and the interior of the dendrimer opens up
to host several hundreds to thousands of water molecules depending on
the generation number. Increasing the pH (i.e., going from low pH to
high pH) leads to the collapse of the dendrimer size, thereby expelling
the inner water, which mimics the `sponge' action. As the dendrimer size
swells up at a neutral pH or low pH due to the electrostatic repulsion
between the primary and tertiary amines that are protonated at this pH,
there is dramatic increase in the available solvent accessible surface
area (SASA), as well as solvent accessible volume (SAV).},
 author = {Maiti, Prabal K.},
 doi = {10.1139/cjc-2017-0244},
 eissn = {1480-3291},
 issn = {0008-4042},
 journal = {CANADIAN JOURNAL OF CHEMISTRY},
 month = {SEP},
 number = {9},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136},
 pages = {991-998},
 researcherid-numbers = {Maiti, Prabal/B-6335-2009},
 times-cited = {6},
 title = {PAMAM dendrimer: a pH-controlled nanosponge},
 unique-id = {ISI:000408730800015},
 volume = {95},
 year = {2017}
}