Unveiling the reverse reactivity and composition profile of copolymers from synthesized and separated 3-/7-(prop-2-ynyl)oxepan-2-one isomers: implications for precise polymer structure prediction
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F24%3A00585633" target="_blank" >RIV/61389013:_____/24:00585633 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/24:10480980
Result on the web
<a href="https://pubs.rsc.org/en/content/articlelanding/2024/py/d4py00071d" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2024/py/d4py00071d</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/D4PY00071D" target="_blank" >10.1039/D4PY00071D</a>
Alternative languages
Result language
angličtina
Original language name
Unveiling the reverse reactivity and composition profile of copolymers from synthesized and separated 3-/7-(prop-2-ynyl)oxepan-2-one isomers: implications for precise polymer structure prediction
Original language description
The structure–property relationship of synthetic polymers is crucial for the design of their synthesis. Synthesis design determines the final behavior and thus potential applications of the material. However, structurally assessing a synthetic polymer at the level of monomeric sequences remains challenging. Here, we report the kinetic investigation of the reactivity between 3- and 7-(prop-2-ynyl)oxepan-2-one during their copolymerization. These monomers are mainly used to synthesize biomedical materials without separating the isomers, which can lead to undesirable composition drift, thereby affecting the resulting properties. Nevertheless, we separated both isomers and studied their polymerization kinetics in detail. Our screening (co)polymerization experiments revealed the reverse reactivity of 3- and 7-isomers during their homo- and copolymerization. Moreover, based on kinetic data, we calculated copolymerization parameters using the Integrated Ideal Model developed by Frey et al. and visualized the composition profile of the copolymers. By combining kinetic experiments and quantum chemical methods with state-of-the-art analytical techniques, including nuclear magnetic resonance (NMR), size exclusion chromatography (SEC), pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS), differential scanning calorimetry (DSC) and matrix-assisted laser desorption ionization-time-of-flight mass spectrometry (MALDI-TOF MS), we identified the gradient copolymer structure, whereinto the slowly reacting 3-isomer was incorporated at the late stage of copolymerization. Therefore, our findings may become a useful tool for structural predictions of (co)polymers consisting of these isomers, ultimately opening up further opportunities for their biomedical applications.
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
10404 - Polymer science
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Polymer Chemistry
ISSN
1759-9954
e-ISSN
1759-9962
Volume of the periodical
15
Issue of the periodical within the volume
17
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
1695-1703
UT code for WoS article
001197131400001
EID of the result in the Scopus database
2-s2.0-85192105445