Phase equilibria and conformational behavior of dendrimers in porous media: Towards chromatographic analysis of dendrimers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F22%3A10436082" target="_blank" >RIV/00216208:11310/22:10436082 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=hgfucZkMrE" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=hgfucZkMrE</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jcis.2021.09.177" target="_blank" >10.1016/j.jcis.2021.09.177</a>
Alternative languages
Result language
angličtina
Original language name
Phase equilibria and conformational behavior of dendrimers in porous media: Towards chromatographic analysis of dendrimers
Original language description
Hypothesis: The intricate entropy-enthalpy interplay of dendrimers confined in pores affects their confor-mation and retention in the porous stationary phase. This work aims at providing important insights into its impacts on partitioning and chromatographic separation in both size-exclusion chromatography (SEC) and interaction chromatography (IC) regimes. Simulations: Using Monte Carlo (MC) simulations, we investigated the bulk-pore phase equilibria and the conformational behavior of flexible dendrimers differing in generation, in spacer length and in fraction of modified terminal groups interacting differently with pore walls than the majority building units. Findings: With increasing interaction strength, a distinct transition from a roughly spherical shape caused by simultaneous interactions with two walls to an ellipsoidal (or even disklike) conformation tenaciously adhering to only one wall was observed for moderately confined dendrimers. The strongly deformed dendrimers subjected to severe confinement gain high energy and the samples differing in the degree of modification become chromatographically discernable thanks to large energy differences. Consequently, our results suggest that the column fillings with fairly narrow pores which are ineffective in SEC, are highly efficient separation media for dendrimer studies by IC above the critical adsorption point (CAP). Overall, our simulations reveal useful information for advancing and optimizing experimen-tal liquid chromatography studies of dendrimers.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA20-01233S" target="_blank" >GA20-01233S: Rational design of advanced soft functional materials guided by advanced solid-state NMR spectroscopy and high-performance electron microscopy</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Colloid and Interface Science
ISSN
0021-9797
e-ISSN
1095-7103
Volume of the periodical
608
Issue of the periodical within the volume
Part 1
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
830-839
UT code for WoS article
000711707700012
EID of the result in the Scopus database
2-s2.0-85117576002