.png){kind=icon}
.png){kind=icon}
Return
Unveiling the knowledge of a RAFT polymerizations database obtained from an automated parallel synthesizer
.png){kind=icon}
OA
AI
DOI：10.1039/D5DD00177C.png)
.png){kind=icon}
.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
An automated parallel synthesizer has been utilized to perform over 550 polymerization kinetics in a semi-automated high-throughput approach utilizing size exclusion chromatography and NMR-spectroscopy for characterization. The polymerization parameters were systematically varied between 16 different monomers; seven RAFT-agents and three solvents. More than 5; 500 data points were obtained and curated into 241 accurately described and successful reaction kinetics. The kinetic curves were fitted with appropriate negative growth functions; thereby enabling inter- and extrapolation both between and beyond the sample times. The resulting knowledge is made available via a web interface to allow a quick search for the optimal reaction conditions for synthesizing a polymer with desired properties such as a defined molar mass. This work can be regarded both; a demonstration of using a high-throughput approach to generate a reliable database; which is also in accordance to the FAIR principles; and further; an explanatory data augmentation of such datasets; visualizing their inherent limitations and potentials in utilization.
AI Summary
Key information extracted from the uploaded paper, including a brief overview, abstract, background, key highlights, visual analysis, and future outlook.
Journal
IF:
5.6
Papers:
971
Citations:
1.7K
Organization
No organization information available