Natural deep eutectic solvents for Ultrasonic-Assisted extraction of nutritious date Sugar: Molecular Screening, Experimental, and prediction.

The aim of this study is to develop an environmentally friendly and effective method for the extraction of nutritious date sugar using natural deep eutectic solvents (NADES) and ultrasound-assisted extraction (USAE). The careful design of a suitable NADES-USAE system was systematically supported by COSMO-RS screening, response surface method (RSM) and artificial neural network (ANN). Initially, 26 natural hydrogen bond donors (HBDs) were carefully screened for sugar affinity using COSMO-RS. The best performing HBDs were then used for the synthesis of 5 NADES using choline chloride (ChCl) as HBA. Among the synthesized NADES, the mixture of ChCl, citric acid (CA) and water (1:1:1 with 20 wt% water) resulted in the highest sugar yield of 78.30 ± 3.91 g/100 g, which is superior to conventional solvents such as water (29.92 ± 1.50 g/100 g). Further enhancements using RSM and ANN led to an even higher sugar recovery of 87.81 ± 2.61 g/100 g, at conditions of 30 °C, 45 min, and a solvent to DFP ratio of 40 mL/g. The method NADES-USAE was then compared with conventional hot water extraction (CHWE) (61.36 ± 3.06) and showed 43.1% higher sugar yield. The developed process not only improves the recovery of the nutritious date sugar but also preserves the heat-sensitive bioactive compounds in dates, making it an attractive alternative to CHWE for industrial utilization. Overall, this study shows a promising approach for the extraction of nutritive sugars from dates using environmentally friendly solvents and advanced technology. It also highlights the potential of this approach for valorizing underutilized fruits and preserving their bioactive compounds.

Critical Properties of Ternary Deep Eutectic Solvents Using Group Contribution with Extended Lee-Kesler Mixing Rules.

One of the most commonly used molecular inputs for ionic liquids and deep eutectic solvents (DESs) in the literature are the critical properties and acentric factors, which can be easily determined using the modified Lydersen-Joback-Reid (LJR) method with Lee-Kesler mixing rules. However, the method used in the literature is generally applicable only to binary mixtures of DESs. Nevertheless, ternary DESs are considered to be more interesting and may provide further tailorability for developing task-specific DESs for particular applications. Therefore, in this work, a new framework for estimating the critical properties and the acentric factor of ternary DESs based on their molecular structures is presented by adjusting the framework reported in the literature with an extended version of the Lee-Kesler mixing rules. The presented framework was applied to a data set consisting of 87 ternary DESs with 334 distinct compositions. For validation, the estimated critical properties and acentric factors were used to predict the densities of the ternary DESs. The results showed excellent agreement between the experimental and calculated data, with an average absolute relative deviation (AARD) of 5.203% for ternary DESs and 5.712% for 260 binary DESs (573 compositions). The developed methodology was incorporated into a user-friendly Excel worksheet for computing the critical properties and acentric factors of any ternary or binary DES, which is provided in the Supporting Information. This work promotes the creation of robust, accessible, and user-friendly models capable of predicting the properties of new ternary DESs based on critical properties, thus saving time and resources.