Extraction of Valuable Chemicals from Food Waste via Computational Solvent Screening and Experiments
Extraction of Valuable Chemicals from Food Waste via Computational Solvent Screening and Experiments
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DOI：
10.1016/j.seppur.2023.123719
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发表时间：
2023-03
影响因子：
8.6
通讯作者：
Yagya Gupta;S. Bhattacharyya;D. Vlachos
中科院分区：
文献类型：
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作者：
Yagya Gupta;S. Bhattacharyya;D. Vlachos
全球约有13亿吨粮食最终被填埋和堆肥，导致大量人为温室气体（GHG）排放。从食物垃圾中提取抗氧化和抗菌化学物质（类黄酮，酚酸等）是一种经济上有利可图的增值策略，但有效的溶剂选择阻碍了这一策略。在这里，我们进行了硅高通量筛选，以确定关键酚类物质的高溶解度溶剂，并发现了比传统乙醇和甲醇更高效的溶剂。测量了九种入围溶剂的溶解度，发现与模型预测的溶解度合理一致。对实际溶剂类导体筛选模型(cosmos - rs) σ-谱和Hansen溶解度参数的分析表明，极性和氢键使二甲基甲酰胺（DMF）成为一种优良的单溶剂。我们展示了用绿色混合物替代高溶解度的有毒溶剂，并展示了处理马铃薯皮废料的方法。我们的工作为溶剂选择提供了蓝图，并为从食物垃圾中提取提供了新的见解。
About 1.3 billion tons of global food production end up in landfills and composting, leading to significant anthropogenic greenhouse gas (GHG) emissions. Extracting antioxidant and antimicrobial chemicals (flavonoids, phenolic acids, etc.) from food waste is an economically lucrative valorization strategy but is hindered by efficient solvent selection. Here we perform in silico high throughput screening to identify high solubility solvents for key phenolics and reveal >100+ higher-performing solvents than the traditional ethanol and methanol. Solubilities of nine shortlisted solvents are measured and found in reasonable agreement with model predictions. Analysis of the Conductor like Screening Model for Real Solvents (COSMO-RS) σ-profiles and Hansen Solubility Parameters reveals that polarity and hydrogen bonding make dimethylformamide (DMF) an excellent single solvent. We showcase the replacement of high-solubility toxic solvents with green mixtures and demonstrate the approach to potato peel waste. Our work provides a blueprint for solvent selection and generates new insights into extraction from food waste.