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High-throughput COSMO-RS screening of deep eutectic solvents for selective biomass valorisation: A Sonneratia alba case study

delete2026-08-11
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PRE
AI
Y
Yehosyua Widiatmo Wyldanta *
P
Patricia Yolanda Oktaviani
DOI：10.1016/j.molliq.2026.129854delete
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Abstract

Abstract

En 中文
• COSMO-RS evaluated 168 deep eutectic solvents for S. alba bioactives. • 31,857 thermodynamic state points computed across 21 temperatures. • Sodium propionate:1,3-butanediol (3:1) showed optimal performance. • Absolute quercetin selectivity exceeded 1016 against impurities. • Open-source Python pipeline provides a scalable extraction blueprint.
Keywords:
Deep eutectic solvents
COSMO-RS
Sonneratia alba
Selective extraction
Quercetin
Thermodynamic screening

Journal

Journal of Molecular Liquids cover
Journal of Molecular Liquids
IF:
5.2
Papers:
2.5W
Citations:
9.0W

Organization

C
coffenova
Scholars:
2
Papers: 1
Citations: 0
D
Diponegoro University
Scholars:
2.3K
Papers: 1.2K
Citations: 971
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