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Journal of Food Measurement and Characterization · 2025 · IF 3.3

Antibacterial mechanism of hydrophobic deep eutectic solvents-in-water nanoemulsion: experimental and molecular dynamic simulation studies

Li Benyang,Shi Meng,Qin Si,Zeng Chaoxi

Fatty acids-based hydrophobic deep eutectic solvents (HDESs) have broad-spectrum antimicrobial activity. However, there is a lack of systematic studies on their antimicrobial mechanism at both experimental and molecular levels. In this work, we utilized hexanoic acid (HEA) and L-menthol (LST) to form HDES, and prepared HDES-in-water nanoemulsion, which is stable and effective in inhibiting the growth of E. coli . On this basis, we systematically investigated the antimicrobial mechanism of HDES against E. coli , examining the fluidity, integrity and permeability of cell membrane, morphological analysis of E. coli and molecular dynamics (MD) simulations. The results showed that HDES could decrease cell membrane fluidity and increase cell membrane permeability, which was further supported by MD simulations. In addition, HEA and LST can insert into the cell membrane, causing destabilization of the phospholipid bilayer, reduction of the membrane thickness, and disruption of the integrity of the cell membrane, leading to the efflux of intracellular material, which further promotes antimicrobial activity. The present work is important for the development of HDES-based natural antimicrobial agents to meet the increasing food safety challenges. Graphical

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FOOD CONTROL · 2024 · IF 5.6

Antifungal effects of three natural branched medium-chain fatty acids and their potential as fumigants against Aspergillus flavus in stored peanut seeds

Yuqi Yang,Weibin Ma,Eric T. Johnson,Yanli Xie,Renyong Zhao

The contamination of peanuts with aflatoxins predominantly produced by Aspergillus flavus poses a worldwide threat to both food safety and agricultural economies. Antifungal compounds from natural sources may offer a safe and effective alternative strategy to control A. flavus in peanuts. We evaluated the contact and fumigant antifungal effects of three natural branched medium-chain fatty acids (branched-MCFAs), ( E )-2-methyl-2-pentenoic acid, 2-methylhexanoic acid, and 2-methylheptanoic acid against A . flavus relative to their straight-chain isomers and sorbic acid a commonly used preservative. In vitro experiments showed that the inhibitory effects of these three branched-MCFAs on A. flavus were stronger than their straight-chain isomers and sorbic acid. In addition, fumigant effects of the branched-MCFAs were more effective than their direct contact inhibitory effects against the growth of A. flavus . 2-Methylhexanoic acid, 2-methylheptanoic acid, and ( E )-2-methyl-2-pentenoic acid showed significant fumigant activity, with the minimum inhibitory concentration (MIC) values of 0.10, 0.10, and 0.12 g/l air, respectively. Fumigation of these branched-MCFAs also significantly slowed the growth of A. flavus in peanut seeds, and completely inhibited A. flavus growth at 2.0 g/l air. After 24 h of fumigation exposure to the branched-MCFAs, the fumigated A. flavus on medium or peanut seeds was re-incubated to observe whether the A. flavus could continue to grow, and the results revealed that the in vitro and in vivo minimum fungicidal concentrations (MFC) were 0.15 and 2.5 g/l air, respectively. This study indicated that these three natural branched-MCFAs have strong antifungal fumigation activity with application potential in protecting peanut seeds from A. flavus contamination during storage.

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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

A novel temperature-responsive biphasic deep eutectic solvent-based solvent system: Integrated efficient extraction, enrichment and recovery of phytochemicals

Zi-Hui Cai,Xin-Yue Dong,Li-Tao Wang,Wan-Mei Zhou,Ya-Ning Wang,Jie Yang,Yu-Jie Fu

The current large-scale use of organic and some toxic reagents hinders the development of plant secondary metabolite extraction and processing industry. Here, a biphasic temperature-responsive solvent system consisting of hydrophilic deep eutectic solvent (choline chloride: levulinic acid) and fatty acid-based hydrophobic deep eutectic solvent is developed. Some characteristics of this intelligent solvent system, including hundreds of synthesis ratios and corresponding switching temperatures, phase ratios, etc., have been comprehensively determined. Subsequently, it is applied to different plant matrices. The extraction efficiencies ranged from 1.006 to 6.807 times higher than those of conventional organic reagents, with separation efficiencies ranging from 60.7 % to 100 %, besides the fact that the hydrophilic components are almost entirely distributed in the lower phase. The recovery of targeted phytochemicals achieves satisfactory results during the simultaneous extraction and enrichment process. Mechanisms of switching, extraction, and enrichment have been elucidated to a certain extent from the point of view of chemical computational simulations. Overall, this new green solvent system is universal and can be applied to a wide range of phytochemicals extraction and separation from plants in a one-pot operating unit. Also, it is almost the greenest of the temperature-responsive solvents studied so far and has superior application prospects.

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NEW JOURNAL OF CHEMISTRY · 2017 ·Vol. 41 ·期 23 ·14486-14497 · IF 3.269

Phase behaviors and self-assembled properties of ion-pairing amphiphile molecules formed by medium-chain fatty acids and L-arginine triggered by external conditions

Yuxian Wang,Ling Jiang,Ce Wei,Hongman Zhang

Fatty acids, composed of an amphiphilic carbon chain and a carboxyl group, are a simple class of anion surfactants when they are protonated in the presence of an alkali. They can form ion-pairing amphiphile molecules and self-assemble into different nanostructures, which can be widely applied. However, the phase transition of these nanostructures can be easily triggered by external conditions, such as pH, temperature, the addition of salts and so on. In this work, medium-chain fatty acids (MCFAs) containing 8–12 carbons were chosen as the objects for self-assembly with organic amino counter-ions, L-arginine. We investigated the effects of chain length, pH, temperature and solvent on the phase transition based on diagrams, which could be determined by freeze fracture transmission electron microscopy (FF-TEM) and polarizing microscopy observations (PMO) combined with rheological properties. The results showed that rich phase behavior was observed in the octanoic acid (C8:0) system. However, it was insensitive to changes in pH because of the lower hydrophobicity. In contrast, for decanoic acid (C10:0) and lauric acid (C12:0) systems, phase transition from the L1 phase (micelles) to the Lα phase (vesicles) was observed and they showed stimulus-response to the change of pH. At the same time, lauric acid was sensitive to temperature, which was ascribed to the higher Krafft point. Besides, when the solvent was replaced by glycerin, phase transitions occurred from vesicles to micelles in these three systems. We hope that this phase transition observed in the MCFA system will provide a good insight into drug delivery, material science, and other related areas.

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Small Structures · 2024 ·Vol. 5 ·期 7 ·2300577 · IF 13.9

Thickness-Dependent Microstructural Evolution of CsPbBr3 Nanobricks Induced by Electron Beam Irradiation

Feiyu Diao,Qingye Zhang,Jiaju Wang,Wenshuang Liang,Federico Rosei,Xuyan Xue,Yiqian Wang

All-inorganic halide perovskites exhibit exceptional optical properties and are promising photoactive materials for optoelectronics. However, their stability remains a key challenge, exacerbated by a limited understanding of degradation mechanisms. Herein, in situ transmission electron microscopy (TEM) is used to investigate the effect of thickness on the structural stability of CsPbBr 3 nanobricks under electron beam irradiation. CsPbBr 3 nanobricks with different thicknesses have been prepared using a traditional hot-injection method, giving rise to a distinctive cubic structure. A modulated structure, caused by bromine vacancy ordering, has been observed in the thin nanobricks. The degradation behaviors of nanobricks are related to thickness-dependent bromine vacancy formation in the CsPbBr 3 lattice. More bromine vacancies exist in thin nanobricks than thick ones, resulting in a greater number of undercoordinated Pb atoms which accelerate irradiation-induced degradation. Decomposition products include Pb nanoparticles, which also demonstrate thickness-dependent characteristics. TEM images of Pb nanoparticles formed from thin nanobricks show evidence of irradiation-induced amorphization. In thicker nanobricks, Pb nanoparticle size increases with the duration of electron beam irradiation, while the remaining Cs atoms bond with Br atoms to form relatively stable CsBr nanoparticles. These results contribute to understanding of degradation mechanisms in cesium lead halide perovskites under electron beam irradiation.

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CHEMICAL ENGINEERING SCIENCE · 2025 · IF 4.3

Partition behavior and extraction mechanism of carboxylic acids in hydrophobic deep eutectic solvents of TOMAC and medium-chain fatty acids

Wenli He,Yaqin Sun,Xu Zhou,Lusheng Huang,Zhilong Xiu

In this study, hydrophobic deep eutectic solvents (HDESs) based on trioctylmethylammonium chloride (TOMAC) and medium-chain fatty acids were investigated for the extraction of carboxylic acids. The effects of molar ratio, extraction temperature, vortex time, pH, and carboxylic acid concentration on the partition behavior of carboxylic acids were evaluated. The natural logarithm of partition coefficients (lnK) for six kinds of mono and five kinds of binary carboxylic acids in the TOMAC-OctA system exhibits an excellent linear relationship to the ClogP of carboxylic acids. Quantum chemical calculations using density functional theory showed that one hydrogen bond is formed between lactic acid (LA) and TOMAC-OctA, while double hydrogen bonds between succinic acid (SA) and TOMAC-OctA. However, extraction of butyric acid (BA) is driven by van der Waals force. Furthermore, analysis of the interaction energy revealed that TOMAC-OctA possesses the highest affinity for the extraction of BA, followed by SA and LA.

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INDUSTRIAL CROPS AND PRODUCTS · 2024 · IF 5.6

Sustainable ultrasound-assisted extraction of osthole from Cnidum monnieri (L.) Cuss based on natural deep eutectic solvents and switchable hydrophilicity solvents

Hongli Zhang,Yawen Zhang,Yikun Wang,Xiaowen Wang,Fanrong Zhao,Xu Jing,Jiajun Han

Osthole, a compound found in Cnidum monnieri (L.) Cuss has various pharmacological activities. Ultrasound-assisted extraction of osthole was conducted using natural deep eutectic solvents (NADESs) combined with switchable hydrophilicity solvents (SHSs), and the feasibility of repeated use of recycled extractants was evaluated. NADES (xylose-levulinic acid) was used as an extraction solvent for the green extraction of osthole from Cnidum monnieri (L.) Cuss. Osthole in NADES was finally enriched in heptanoic acid, and due to the heptanoic acid convertibility, osthole can be easily and rapidly isolated and recovered. By adjusting the pH to alkaline, hydrophobic heptanoic acid was switched into a hydrophilic solution to precipitate the osthole. The recovery of osthole was over 90 %, with a yield of 8.35 mg g –1 . After five reuses of recycled NADES to extract new Cnidum monnieri (L.) Cuss powder, the change in osthole yield was non-significant. This novel, eco-friendly, and sustainable extraction method offers a new idea for developing bioactive substances in medicinal plants.

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FOOD CHEMISTRY · 2024 · IF 8.5

Switchable deep eutectic solvent as green and efficient media for liquid-phase microextraction of phenoxyacetic acid herbicides in water and food matrices

Jiaxiao Niu,Yanhui Zhang,Hongbo Li,Xiaoqin Hai,Qingxin Lu,Ruiyu Fu,Tingze Ren,Xiaoli Guo,Xin Di

In this work, a switchable deep eutectic solvent (SDES) based on fatty acid and polyetheramine ion pair was prepared for liquid-phase microextraction (LPME) of phenoxyacetic acid herbicides in drinking water, beverage and honey matrices. The as-synthesized SDES equipped with an interesting characteristic of fast and reversible polarity switching, achieving homogeneous extraction and rapid bi-phase separation simultaneously. Several key parameters affecting the extraction performance were investigated comprehensively by Box-Behnken design. Under the optimal conditions, the method exhibited excellent linearity (15–4000 μg L −1 ), low detection limits (3–5 μg L −1 ), desirable precision (RSD < 8.1 %), and satisfactory recovery (72.6–98.7 %). More importantly, the introduction of SDES can simplify the pre-treatment procedure, shorten extraction time (4 min), and avoid the usage of traditional organic solvent during the whole extraction process. In addition, the switching mechanism of SDES was characterized by FT-IR and 1 H NMR, and the forming mechanism of SDES was investigated using density-functional theory. The green of the method was estimated using the analytical ecological scale, the analytical green calculator, and the green analytical procedure index. The cytotoxicity of SDES was investigated and the result displayed that toxicity of the SDES was very low with the EC 50  > 500 mg/L. Therefore, the proposed method was green and efficient and revealed considerable application prospects for the extraction of trace analytes from complex materials.

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JOURNAL OF SEPARATION SCIENCE · 2025 ·Vol. 48 ·期 1 ·e70082 · IF 2.8

Switchable Deep Eutectic Solvents for the Green Extraction of Tea Saponins From Camellia Oleifera Seed Meal

Bincheng Gong,Lingqi Shen,Yu Wang,Zuguang Li,Guohua Zhu

Tea saponin has garnered tremendous interest for its potential use in surfactant and drug synthesis. This research was designed to develop a technique based on pH-responsive switchable deep eutectic solvents (SDESs) for extracting tea saponins from Camellia oleifera seed meal. SDES synthesized from hexanoic acid and triethanolamine (1:1 molar ratio) offered the optimum extractive performance and the optimal conditions were obtained through single-factor experiments: 30 wt% water content in SDES, solid-liquid ratio of 1:30 g/mL, 60°C extraction temperature, 30 min extraction time, and acid volume of 1500 µL. The extraction yield was 162.14 mg/g after optimization, which increased by 15.65% and 9.47% compared to water and ethanol extraction methods, respectively. After pH adjustment, 98.95% of the tea saponins were recovered in the bottom phase. After precipitation and freeze-drying procedures, the purity of the tea saponin solid was 62.9%.

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CHEMICAL PHYSICS LETTERS · 2024 · IF 2.8

Synthesis and application of lead iodine-based perovskite nanomaterials

Fo Bai,Zhengtong Wang,Xiaohui Liu,Junhuan Zhao,Zhongjie Zhai,Chun Sun

In this study, we employed a modified ligand-assisted recrystallization precipitation (LARP) method to synthesize perovskite nanomaterials with emission peaks ranging from 515 nm to 683 nm. The synthesis of these nanomaterials with different emission peaks was achieved by simply controlling the type and amount of cesium oleate. These CsPbI 3 nanomaterials possess different morphologies, and all of them show excellent PL properties. Furthermore, by simply mixing the nanomaterials with sodium citrate, a large quantity of powders of various colors was obtained, which can be used for the fabrication of multicolor patterns.

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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

Synthesis of complex polyolester as base stock for high-performance lubricant: Optimization, characterization, and evaluation

Zongpeng Liu,Shaojian Hu,Yuning Zhang,Bencheng Wu,Jianhua Zhu

Synthetic esters are expected to have broad application prospects in the high-end lubrication sectors owing to their fascinating custom-tailored properties. Herein, we synthesized a novel complex polyolester (CPE) via a stepwise esterification procedure using stannous oxide as a heterogeneous catalyst. Response surface methodology coupled with the Box–Behnken design (BBD-RSM) was employed to optimize the experimental parameters and elucidate the interactions among the operating variables on the low-temperature fluidity of CPE. The optimization results indicated that the lowest pour point (−42 °C) could be obtained under the catalyst dosage of 1.2 wt%, the first step reaction temperature of 164 °C, the first step reaction time of 100 min, and the second step reaction temperature of 178 °C. Particularly, there is a significant interactive effect between the catalyst dosage and the second step reaction temperature. Followed by the molecular distillation of the crude ester prepared under the optimal conditions, the refining results revealed that the non-ideal components had been effectively removed and the total acid number of the final product was substantially reduced to below 0.1 mg KOH/g. The molecular structures of the as-synthesized esters were confirmed by FT-IR, NMR, GPC, ESI–MS, and TGA characterization and their physicochemical and tribological properties were also evaluated according to standard methods. In view of the unique molecular structural design, the developed CPE displayed plentiful prominent technological specificities, which makes it plausible to be served as a potential high-performance base stock. Therefore, the findings of this study may provide some valuable insights for expanding the application scope of synthetic esters into various special industrial scenarios.

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Food Bioscience · 2025 · IF 5.9

The effect of stem contact fermentation on the quality of Cabernet Sauvignon and Merlot wines from Yantai, China

Ruirui Li,Dongyue Yang,Zhiyu Li,Xiaohong Tang,Ke Zhong,Yan Ding,Xiaomei Han,Xueqiang Guan,Yuxia Sun

Grapes grown in the Yantai wine region typically exhibit lower phenolic content and sugar levels, resulting in wines with relatively lower sensory quality. This study aims to assess the impact of stem-contact fermentation on the quality of wines from this region. Cabernet Sauvignon and Merlot grapes were selected winemaking, using three approaches: 100% destemming, and stem-contact fermentation with 10% and 20% grape stems, respectively. After alcoholic fermentation, the wines were analyzed for oenological parameters, phenolic compounds, color parameters, volatile compounds, and sensory evaluation. The results showed that stems did not negatively impact the oenological parameters. In Cabernet Sauvignon wines, stems resulted in a significant increase in total phenolics, anthocyanins, and tannins. In Merlot wines, stems caused a significant increase in total phenolics and a notable reduction in total anthocyanins. Stems primarily affected the anthocyanin content in both Cabernet Sauvignon and Merlot wines, with minimal effects on the proportions of individual anthocyanins. PLS-DA analysis further revealed that stems significantly affected the levels of total tannins, (−)-epigallocatechin, and total phenolic compounds in Cabernet Sauvignon wines, as well as the levels of (−)-epigallocatechin and total phenolics in Merlot wines. The presence of grape stems also significantly influenced the volatile compounds in the wine. When 20% of grapes retained their stems, there was a trend toward higher volatile content, resulting a more complex aroma profile. Overall, retaining some stems during fermentation is an effective strategy to enhance the quality of wines from the Yantai wine region.

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