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NADES
Molecular Catalysis · 2022 · IF 5.089

Synergistic promotion for microbial asymmetric preparation of (R)-2-chloro-1-(2,4-dichlorophenyl)ethanol by NADES and cyclodextrin

Ying Zhang,Zhi-Wen Duan,Han-Yu Liu,Feng Qian,Pu Wang

Microbial whole-cell catalysis has been a popular method for chiral alcohols preparation. In this study, Cyberlindnera saturnus ZJPH1807 was successfully employed as a biocatalyst to reduce 2-chloro-1-(2,4-dichlorophenyl)ethanone (CPE) to ( R )-2-chloro-1-(2,4-dichlorophenyl)ethanol (( R )-CPEO), a key chiral intermediate of antifungal drug miconazole. In order to further improve the bioprocess yield, natural deep eutectic solvent and cyclodextrin were introduced into the reaction system as additives. It was found that carnitine/trehalose (C/Tre, 1:1 mol/mol) could increase the permeability of cell membrane appropriately and improve the mass transfer rate. And the addition of methyl-β-cyclodextrin (MCD) could improve the solubility of CPE in buffer solution, simultaneously promoting cofactor recycling. Furthermore, MCD and C/Tre exerted a synergistic effect on the acceleration of CPE bioreduction, producing 91.0% yield in 1.5 h at 35.8 mM CPE in a C/Tre-MCD-containing system, with a 12.4-fold increase in productivity compared to neat buffer solution only. When the substrate loading was increased to 67.1 mM, the yield could also achieve 84.2%. The established bioreduction process was also feasible at 100 mL preparation scale with a 88.5% ( R )-CPEO yield. The integration of C/Tre and MCD can significantly improve catalytic efficiency for hydrophobic substrates and be applied in biocatalysis.

研究领域: 生物化学 · 微生物学 · 制药工程
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2024 · IF 7.7

Analysis of NADES and its water tailoring effects constructed from inulin and L-proline based on structure, physicochemical and antifreeze properties

Kairong Wu,Hao Zhang,Xinjiang Lou,Xiaodan Wu,Ying Wang,Kuangyu Zhao,Xin Du,Xiufang Xia

The structure, physicochemical and anti-freeze properties of natural deep eutectic solvent (NADES) composed of inulin and L-proline (molar ratio of 1:11) were investigated. Proton nuclear magnetic resonance ( 1 H NMR), Fourier infrared spectroscopy (FTIR), and Raman spectroscopy revealed extensive hydrogen bonding in the pure NADES system, and the addition of water weakens the hydrogen bonding interactions between the components. The smaller transverse relaxation time ( T 2 ) represents the stronger hydrogen bond strength, and NADES+40 % H 2 O exhibited a large T 2 (71.68 ms). When 10 % water was added, the viscosity decreased from 3620 mPa·s to 1777 mPa·s, but the conductivity increased to approximately twice the original value. Furthermore, adding 10 % water lowered the glass transition temperature (T g ) of NADES by 5.6 °C. NADES+10 % H 2 O exhibited favorable thermal stability and freezing resistance, as evidenced by the fact that approximately 82.61 % of the ice crystals area <200 μm 2 after 30 min of crystallization . The changes in the structure, physicochemical, and anti-freezing properties of water-tailored NADES are expected to enable the design of novel antifreeze agents.

CAS / MDL: 147-85-3
研究领域: 食品科学 · 物理化学
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INDUSTRIAL CROPS AND PRODUCTS · 2022 · IF 6.449

Biochar catalysts for efficiently 5-Hydroxymethylfurfural (HMF) synthesis in aqueous natural deep eutectic solvent (A-NADES)

Miao Zuo,Qiang Niu,Yanzhong Zhu,Sijin Li,Wenlong Jia,Zheng Zhou,Xianhai Zeng,Lu Lin

This study prepared a series of biochar-based catalysts using different parts of Larix principis-rupprechtii as feedstock , to promote the 5-Hydroxymethylfurfural (HMF) synthesis from glucose and fructose. Sulfonated biochar showed high converting efficiency of fructose in both dimethyl sulfoxide (DMSO) and aqueous-natural deep eutectic solvent (A-NADES) reaction systems, with HMF yield of 96.3% prepared from the pine needle-derived acidic catalyst under mild condition. Bifunctional acidic biochar catalysts containing both Lewis acid and Brønsted acid functional groups could effectively enhance the glucose conversion with 57.2% of the HMF yield obtained in A-NADES. After the detailed characterization of the biochar catalysts, the potential mechanism of the bifunctional catalyst for the synthesis of HMF by conversion of glucose and fructose was proposed. The possible promoting mechanism of carbohydrate conversion by A-NADES through intermolecular hydrogen bonding was also explored.

研究领域: 化学工程 · 生物质能 · 催化化学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2023 · IF 6

Comparative study on optimization of NADES extraction process by dual models and antioxidant activity of optimum extraction from Chuanxiong-Honghua

Rong-Shuai Hu,Li Yu,Sai-Ya Zhou,Hui-Fen Zhou,Hai-Tong Wan,Jie-Hong Yang

The natural deep eutectic solvent (NADES) was used as the extraction solvent to extract the four ingredients from Chuanxiong-Honghua. NADES-7 composed of L-proline and lactic acid (1:2) has a better extraction effect compared with traditional solvents. The extraction process was optimized using response surface methodology (RSM) and ant colony algorithm-enabled backpropagation neural network (ACO-BPNN), which were compared with each other. ACO-BPNN has a higher R 2 and predictive value than RSM. The optimal process parameters predicted by the ACO-BPNN were determined to be as follows: solvent-to-material ratio, 8 mL/g; extraction time, 67 min; water concentration, 48%; and extraction temperature, 50 °C. The best predicted comprehensive evaluation value was 4.2634, and the mean value obtained from the experiment was 3.8678. Compared with traditional solvents, the antioxidant activity of NADES-7 extract was better, and the mean value of DPPH, FRAP (ferric reducing antioxidant power), and ABTS assays were 0.1555, 0.1132, and 0.0894 mmol Trolox/g dry weight, respectively. Experimental results show that ACO-BPNN can better optimize the extraction process of many different polar compounds in plant combinations.

研究领域: 药学 · 化工 · 生物技术 · 分析化学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2025 · IF 6.6

NADES-extracted tea stem polyphenols as multifunctional additives in chitosan films for shrimp preservation

Lin-Kun Sun,Tian Du,Pei-Ru Zhou,Yu-Cang Zhang,Yan-Zhen Zheng

Developing appropriate packaging technologies is crucial for maintaining shrimp quality and reducing potential food safety risks. Meanwhile, concerns over the environmental impact of petroleum-based plastics have accelerated the development of biodegradable packaging from renewable resources. In this study, bioactive chitosan (CS) composite films were developed by incorporating tea stem extract obtained using a choline chloride–glycerol-based natural deep eutectic solvent (NADES). The DES tea stem extract (DTSE) served a dual function as a plasticizer and a bioactive agent. Results showed that DTSE incorporation improved film flexibility (maximum EAB of 173%), enhanced antioxidant capacity (maximum DPPH scavenging rate of 94.8%), and provided moderate UV barrier properties without compromising hydrophobicity. Application of the CS/DTSE composite films in shrimp meat preservation demonstrated significant efficacy: the films effectively maintained shrimp meat appearance, slowed pH increase, reduced weight loss, suppressed lipid oxidation and protein degradation, inhibited microbial growth, and minimized off-odor development, thereby significantly extending shrimp shelf life by 2–3 days. These findings indicate that NADES-extracted tea polyphenols can serve as a sustainable and multifunctional additive, providing an effective strategy for the development of active packaging materials that extend the shelf life of perishable seafood products while valorizing tea stem waste.

研究领域: 食品科学与技术 · 包装工程 · 食品保鲜 · 绿色化学 · 高分子材料 · 水产品安全
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FOOD CHEMISTRY · 2025 · IF 9.8

Sustainable extraction and bioconversion of tea stems using NADES: Dual benefits in polyphenolic recovery and carbohydrates enzymatic hydrolysis

Lin-Kun Sun,Pei-Ru Zhou,Tian Du,Yu-Cang Zhang,Yan-Zhen Zheng

This study presents a novel and sustainable strategy for valorizing tea stems, an abundant agricultural by-product, using natural deep eutectic solvents (NADESs) composed of choline chloride as the hydrogen bond acceptor and levulinic acid, acetic acid, glycerol, lactic acid, or urea as hydrogen bond donors. The NADES system enabled efficient extraction of polyphenolic and flavonoid compounds, with total flavonoid content (83.49 ± 0.40 mg/g) significantly exceeding that obtained using ethanol (61.65 mg/g). The extracts exhibited enhanced stability under thermal and light stress and demonstrated strong antioxidant activity and inhibitory effects against α-amylase and pancreatic lipase. Importantly, the solid residues remaining after extraction were further enzymatically hydrolyzed to release monosaccharides, supporting complete biomass utilization. This dual-phase NADES-based approach not only maximizes recovery and stability of bioactive compounds but also enables integrated valorization of tea stem residues, highlighting both scientific novelty and practical applicability in functional foods, nutraceuticals, and renewable energy.

研究领域: 可持续化学 · 绿色提取技术 · 生物质高值化利用 · 生物资源技术 · 食品科学与营养 · 天然产物化学 · 酶工程
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NEW JOURNAL OF CHEMISTRY · 2025 · IF 2.5

Enhanced White Tea Extraction and Multifunctional Dermatoprotection via L-Proline/Xylitol NaDES: Antioxidant, Anti-photoaging, and Anti-glycation Effects

Yuanbin Li,Siyuan Chen,shanshan Li,Zhenyuan Wang,Chengyu Wu,Jichuan Zhang,Junzi Dong,Jiaheng Zhang

Bioactive constituents in Camellia sinensis (white tea) provide dermatoprotective benefits, but conventional extraction methods are often inefficient and cumbersome. Research on green extraction techniques for white tea and their effects on skin-related bioactivities remains limited. This study therefore established Natural Deep Eutectic Solvents (NaDESs) as a sustainable extraction platform for white tea bioactives and evaluated the multifunctional skincare properties of the resulting extracts. An optimized L-proline/xylitol NaDES significantly enhanced polyphenol extraction efficiency over traditional solvents. the NaDES-derived extract exhibited superior antioxidant and anti-photoaging effects due to its higher polyphenol content, while also inhibiting advanced glycation end-products (AGEs) formation—demonstrating anti-glycation potential. In conclusion, NaDES represents an advanced plant extraction solvent, and the derived white tea extract shows promise as a multifunctional skincare ingredient (antioxidant, anti-photoaging, anti-glycation) for cosmetic and food applications.

研究领域: 植物化学 · 化妆品科学 · 皮肤科学研究 · 绿色化学 · 食品科学 · 生物技术
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Food and Bioprocess Technology · 2024 · IF 5.3

Glycerin-Betaine-Based Natural Eutectic Solvent Enhanced the Spray Drying Resistance of Lactobacillus

Jiang Jingya,Song Xiaoning,Zhao Liming,Wang Song,Hou Baochao,Li Baolei,Dudu Olayemi Eyituoyo,Yi Huaxi,Zhang Lanwei,Gong Pimin

Spray drying is a promising technique for embedding and stabilizing lactic acid bacteria. However, bacteria are unable to withstand high-temperature environment. Naturally small molecules fall short in meeting the evolving demands of production. Therefore, it is imperative to explore non-chemical pretreatment methods urgently, with the aim of enhancing their protective efficacy. In this study, natural deep eutectic solvents (NADES) were synthesized by glycerin-betaine to improve the survival rates of spray-dried Lactobacillus bulgaricus sp1.1. Results revealed that the spray drying survival rate of L. bulgaricus sp1.1 after adding NADES was 30.54%, which was 4.72 times higher than adding equal amounts of untreated glycerin and betaine, and the number of viable bacteria decreased less than 1 log after 6 months of storage. The investigation revealed that the impact of NADES was localized external to the cell rather than within. Through crosslinking with the peptidoglycan on the cell wall, NADES bolstered the cell wall structure thereby creating a protective barrier. This resulted in a reduction of damage to the membrane and ribosome induced by high temperatures during the lactic acid bacteria’s exposure. This study synthesized NADES using current protective agents as an effective method to enhance heat resistance of lactic acid bacteria for spray drying for the first time, and the lactic acid bacteria powder with high survival rate and high storage stability was successfully prepared, which provides a new approach for its industrial application. Graphical Abstract

CAS / MDL: 107-43-7
研究领域: 微生物学 · 食品科学 · 生物技术
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2026 ·Vol. 27 ·期 10 ·4268 · IF 5.6

Construction of Green System for Flavonoids from Dalbergia Pinnata (Lour.) Prain Based on NADES-UAE: Intelligent Optimization–Molecular Mechanism–Activity Verification

Haiyu Yang,Bingyou Luo,Jingmin Mo,Junhui Xie,Jianwei Luo,Kunying Yu,Jianhua Wei,Haiyi Zhong

To promote green chemistry and improve the utilization of plant resources, flavonoids fromDalbergia pinnata(Lour.) Prain were extracted in this study by combining NADES (natural deep eutectic solvents) with UAE (ultrasound-assisted extraction). Among the 13 synthesized NADES, choline chloride (ChCl)–urea (NADES-13) exhibited the highest extraction rate, outperforming traditional organic solvents. The optimal conditions determined by response surface methodology (RSM) were as follows: ChCl–urea molar ratio of 1:3, moisture content of 60%, liquid-to-material ratio of 28.5 mL/g, ultrasonic extraction time of 49 min, and temperature of 62 °C. Under these conditions, the extraction rate reached 117.95 ± 5.97 mg/g, a 73.5% improvement compared with 80% EtOH extraction. The comparison of the two algorithms showed that RSM (R = 0.9981, RMSE = 0.6570) had better fitting accuracy and prediction stability under small sample conditions than MLP (R = 0.9427, RMSE = 5.261) and RF (R = 0.9431, RMSE = 5.2442). DFT (density functional theory) analysis demonstrated that hydrogen bonds, Van der Waals forces, and cation–π interactions mediate the interaction between NADES-13 and flavonoids. Ultrasonic cavitation-induced cell wall damage and the hydrogen-bond network of NADES-13 were confirmed separately by SEM (scanning electron microscopy) and FTIR (Fourier transform infrared spectroscopy). In vitro experiments showed that the extract possessed concentration-dependent antioxidant activity and strong antibacterial activity, with an inhibition rate of 96.87 ± 5.09% againstEscherichia coliat a concentration of 0.04 mg/mL. In this study, a “Smart Optimization–Molecular Mechanism–Activity Verification” green extraction system was developed, which offers an efficient and environmentally friendly strategy for extracting plant bioactive components and contributes to the progress of green chemistry.

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FOOD CHEMISTRY · 2024 · IF 8.5

Valorization and protection of anthocyanins from strawberries (Fragaria×ananassa Duch.) by acidified natural deep eutectic solvent based on intermolecular interaction

Hao Huang,Shengrong Guo,Yanqun Xu,Fatima-ezzahra Ettoumi,Jie Fang,Xiaowei Yan,Zhangfu Xie,Zisheng Luo,Kejun Cheng

This study introduces an innovative approach for the valorization and protection of anthocyanins from ‘Benihoppe’ strawberry ( Fragaria × ananassa Duch.) based on acidified natural deep eutectic solvent (NADES). Choline chloride-citric acid (ChCl-CA, 1:1) was selected and acidified to enhance the valorization and protection of anthocyanins through hydrogen bond. The optimal conditions (ultrasonic power of 318 W, extraction temperature of 61 °C, liquid-to-solid ratio of 33 mL/g, ultrasonic time of 19 min), yielded the highest anthocyanins of 1428.34 μg CGE/g DW. UPLC-Triple-TOF/MS identified six anthocyanins in acidified ChCl-CA extract. Stability tests indicated that acidified ChCl-CA significantly increased storage stability of anthocyanins in high temperature and light treatments. Molecular dynamics results showed that acidified ChCl-CA system possessed a larger diffusion coefficient (0.05 m 2 /s), hydrogen bond number (145) and hydrogen bond lifetime (4.38 ps) with a reduced intermolecular interaction energy (−1329.74 kcal/mol), thereby efficiently valorizing and protecting anthocyanins from strawberries.

研究领域: 食品科学 · 化学 · 植物科学
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FLUID PHASE EQUILIBRIA · 2022 · IF 2.745

Properties of binary mixtures of a novel natural deep eutectic solvent (glycolic acid + xylitol) and water at several temperatures

Xinyu Wang,Baoyou Liu,Huilong Yang,Jie Tian

The density, viscosity, and conductivity of the binary mixture composed of (glycolic acid + xylitol)(3:1) NaDES and water were measured at atmospheric pressure and different temperatures T  = (303.15 K, 313.15 K, 323.15 K, 333.15 K, 343.15 K). The density and viscosity values decrease with increasing temperature, while the conductivity values increase over the entire concentration range. The binary system's excess molar volumes (V E ) and viscosity deviations (Δη) were calculated and fitted by the fourth-order Kister equation based on the experimental data. With the increase of the water mole fraction, the conductivity values of the system first increase gradually and then decrease dramatically, and the conductivity reaches the highest when the water mole fraction is 0.9548. In addition, the structures of the binary system were characterized by infrared spectra and optimized by quantum chemical simulation. At the molecular level, the amounts and types of hydrogen bonds in the binary system increase by adding water. It is speculated that hydrogen bonding may affect the excess properties of the system.

CAS / MDL: 79-14-1 87-99-0
研究领域: 物理化学 · 热力学 · 材料科学
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FUEL · 2022 · IF 8.035

Efficient 5-hydroxymethylfurfural synthesis from carbohydrates and food wastes in aqueous-natural deep eutectic solvent (A-NADES) with robust Al2O3 or Al(OH)3

Miao Zuo,Xinyu Wang,Wenlong Jia,Yanzhong Zhu,Xianhai Zeng,Lu Lin

As one of the essential building blocks for bio-chemicals and bio-fuels, the 5-Hydroxymethylfurfural (HMF) production is still challenging in a green and cheap way. This work developed a bio-derived aqueous-natural deep eutectic solvent (A-NADES) to synthesize HMF using α-Al 2 O 3 or Al(OH) 3 as robust catalysts, obtaining high yields of 67.1% and 63.6% HMF from glucose under mild reaction reactions, respectively. Different kinds of starches and starchy food waste also exhibited high conversion efficiency in the A-NADES system. The mechanistic study indicated that the in-situ formed Al (III) site of α-Al 2 O 3 during the reaction was critical for converting glucose-based carbohydrates. A-NADES could be effectively reused six times with a more convenient direct reuse method without significant activity loss. This study suggested a novel A-NADES reaction media in the synergistic reaction with robust aluminum-based catalysts for HMF synthesis, and proposed a novel process of food waste utilization in green solvents.

研究领域: 生物化学 · 绿色化学
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