JOURNAL OF CHROMATOGRAPHY A
·
2026
·
IF 4
Min Zhou,Rusen Miao,Xiaoxu Chen,Anqi Wang,Xueman Wei,Initizar Anwar,Yuefei Wang,Hongyan Wang,Fei Tian
A hydrophilic SUPRADES was constructed for selective extraction of isoflavone from P. lobata root. • The SUPRADES achieved 70.4 mg/g puerarin, 1.33–5.33-fold higher than conventional methods. • Selective extraction mechanism was elucidated by FT-IR, ¹H NMR, and DFT theoretical calculations. • The SUPRADES retains >97% extraction capacity over 7 cycles with superior batch reproducibility. • GAPI evaluation verifies the eco-sustainability of the entire isoflavone extraction process. Supramolecular deep eutectic solvents (SUPRADES) have are promising green extraction media for the sustainable extraction of bioactive compounds from plant materials. In this study, a combined strategy of SUPRADES with ultrasound-assisted extraction (UAE) was developed for the efficient extraction and enrichment of isoflavones from the root of Pueraria lobata. The extraction process was systematically optimized using single-factor experiments followed by Box–Behnken design (BBD) response surface methodology. The optimal SUPRADES system consisted of L‑proline and urea at a 1:2 molar ratio, supplemented with 5 wt% β‑cyclodextrin and 30 wt% water. Under these conditions, the yield of puerarin reached 70.4 ± 0.6 mg/g, which is 1.33‑ to 5.33‑fold higher than those obtained with conventional methods. The self‑assembled structure of the SUPRADES and its molecular‑level interaction mechanism with isoflavones were further elucidated by FT‑IR spectroscopy, ¹H NMR spectroscopy, and density functional theory (DFT) calculations. These results confirmed that the extraction process is synergistically driven by hydrogen bonding and β‑cyclodextrin‑mediated host–guest complexation. GAPI evaluation demonstrated the excellent environmental friendliness and sustainability of the established method. Collectively, this study provides a novel and efficient extraction strategy for isoflavones from Pueraria lobata root and offers a theoretical basis for green the extraction of natural products in traditional Chinese medicine. Download: Download high-res image (408KB) Download: Download full-size image
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npj Science of Food
·
2026
·
IF 9.7
Luo Chenghua,Fan Xiaohong,Zhou Yakui,Wu Haifeng,Zhang Lei,Zhao Xiangsheng
The early detection of aflatoxins (AFs) and their biosynthetic precursors is vital for preventing mycotoxin contamination, yet conventional extraction methods generate substantial ecological burdens due to excessive organic solvent consumption. Herein, a tailored menthol-propionic acid Natural Deep Eutectic Solvent (NADES) was developed for the simultaneous extraction of 11 AFs and their precursors from lotus seeds. This refined solvent system demonstrated satisfactory extraction efficiency when coupled with UPLC-MS/MS, and a 50% contamination incidence was observed in real samples. Notably, the NADES-based protocol showed practical advantages under the compared conditions, including over 90% organic solvent reduction and 10~20 times faster extraction than conventional methods. The extraction mechanism was further elucidated at the molecular level through integrated density functional theory (DFT) calculations and molecular dynamics simulations (MDs). Quantum chemical analysis revealed energetically favorable hydrogen bonding and hydrophobic interaction between the NADES system and aromatic rings of AFB 1 , while MDs further demonstrated the formation of persistent hydrogen-bond networks. This work provides a viable, eco-friendly strategy for extracting aflatoxins and their precursors, demonstrating a high potential for applications in the extraction of mycotoxins from food, feed, and herbal products.
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Innovative Food Science & Emerging Technologies
·
2026
·
IF 6.9
Zhaoyu Wang,Weiliang Hua,Yihua Zhou,Liang Pan,Yanhong Bi,Guangfu Song
The molecular basis of deep eutectic solvent (DES)-mediated extraction of arbutin was investigated using a computational chemistry method for the first time to uncover the impressionable chemical functionality of DESs. The hydrogen-bonding interactions among hydrogen bond acceptors, hydrogen bond donors, and arbutin were investigated based on density functional theory, through electrostatic potential (ESP) distribution, molecular polarity index (MPI), independent gradient model based on Hirshfeld partition (IGMH), and atoms-in-molecules (AIM) analyses. ChCl/LA (1:3) exhibited superior extraction efficiency for arbutin among the examined DESs. The ESP distribution matching study revealed that CA, LA, Gly, and PG displayed a higher overall charge distribution compatibility with ChCl than UR. In the DES–arbutin systems, ChCl/LA (1:3) showed its strongest and most stable binding characteristic with arbutin, as evidenced by the optimal electrostatic matching and the highest MPI value with arbutin. IGMH analysis indicated that both the hydroxyl and carboxyl groups in LA endowed a stronger hydrogen-bonding interaction between arbutin and ChCl/LA compared to that between arbutin and ChCl/Gly and ChCl/UR. This was further supported by the fact that the absolute value of the interaction energy of ChCl/LA (1:3) (−30.33 kcal/mol) was higher than those of other DESs (−15.86 to −26.26 kcal/mol). Moreover, AIM analysis revealed that the highest bond critical point (BCP) electron density of ChCl/LA (1:3)–arbutin was at BCP 236 (O 1 ···H 34 O) = 0.0488 a.u., corresponding to a hydrogen bond energy of −10.1534 kcal/mol, indicating the strongest hydrogen bond interaction. These findings provide a novel molecular-scale rationale for designing effective DESs for natural-product extraction.
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ELECTROCHIMICA ACTA
·
2026
·
IF 5.8
Yatong Zhang,Zehao Geng,Yijia Liu,Yandong Xue,Youan Ji,Zhihui Sun,Jianing Huo,Yuan Yao
Organic acid is introduced as a novel, cost-effective reducing agent for vanadium electrolytes. • Citric acid enhances VO 2+ chemical stability with 98% concentration retention over 7 days. • Citric acid-based electrolytes exhibit improved electrochemical performance with 70% energy efficiency and 75.6% capacity retention over 200 cycles. • Citric acid reduces reagent costs by 60% at a low stoichiometric requirement (0.6:1 molar ratio). The preparation of vanadium electrolytes for vanadium redox flow batteries (VRFBs) remains a critical bottleneck for commercial deployment due to high costs, complex processes, and stability issues. This study presents a systematic comparison of citric acid, lactic acid, and traditional oxalic acid as reducing agents for the ambient-temperature reduction of V 2 O 5 to VO 2+ . Citric acid demonstrates superior performance with a 99% conversion rate at a 0.6:1 molar ratio, significantly outperforming lactic acid (59%) and oxalic acid (50%). The resulting electrolyte exhibits optimal physicochemical properties: conductivity of 323.5 mS cm –1 and viscosity of 3.16 mm 2 s –1 , attributed to citric acid's multidentate coordination structure. UV–Vis analysis confirms 98% VO 2+ concentration retention over 7 days, far exceeding oxalic acid (77%). Cyclic voltammetry reveals enhanced diffusion coefficients (1.85 × 10 –6 cm 2 s –1 ) and redox activity. In single-cell VRFB tests, the citric acid-based electrolyte achieves 70% energy efficiency and 75.6% capacity retention over 200 cycles, with coulombic efficiency consistently above 90%. Mechanistic studies via Raman spectroscopy demonstrate that citric acid’s three carboxyl and one hydroxyl groups form stable multidentate coordination with VO 2+ , inhibiting polymerization and precipitation. This work establishes a cost-effective, scalable protocol for high-performance VRFB electrolyte preparation. Download: Download high-res image (247KB) Download: Download full-size image
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MICROCHEMICAL JOURNAL
·
2026
·
IF 5.2
Fanying Deng,Jinhong Xue,Yu Wang,Yue Sun,Peng Jiang,Yumeng Luo,Zhenqiang Liu,Zhichao Hao,Mengmeng Li,Wei Guan,Qingshan Chen,Lili Zhang,Xiaochi Ma,Haixue Kuang,Yan Liu
Extraction of Paeoniae Radix Rubra polysaccharide (PRRP). • Firstly, the PRRP was extracted by Natural Deep Eutectic Solvent (NADES). • Firstly, the PRRP was extracted by ChCl-CA (1.5, 3:2) with 40% ( w / w ) water. • AGREEprep and BAGI confirmed ChCl-CA’s greenness: polysaccharide yield >9%, solvent recovery >80%. • Firstly, the neuroprotective activity of PRRP in Parkinson's disease was evaluated. Firstly, natural deep eutectic solvents (NADES) were used to extract polysaccharides from Paeoniae Radix Rubra (PRR). Using polysaccharide yield and neuroprotective cell activity as evaluation criteria, a solvent composed of 40% ( w / w ) water, choline chloride (ChCl), and citric acid (CA) was selected as the optimal solvent. It exhibited low viscosity, high surface tension, moderate polarity, and strong acidity. Fourier-transform infrared (FT-IR) spectra of the ChCl-CA confirmed the formation of hydrogen bonding. Response surface methodology (RSM) optimized conditions: molar ratio: 1.5 (3:2), extraction temperature: 60 °C, extraction duration: 64 min, solvent-solid ratio: 36 mL·g −1 , the polysaccharide yield reached 16.74%, which was 1.89 times that of the hot water extraction, and the SH-SY5Y cell activity in the methyl-4-phenylpyridinium (MPP + )-induced PD model was 86.86%. The obtained PRR polysaccharides (PRRP) were further characterized, with protein content of 5.23% and uronic acid content of 19.09%. PRRP was mainly composed of arabinose, glucose, and galacturonic acid. Its molecular weights are 73.381, 11.475, and 3.539 kDa. PRRP was characterized via Ultraviolet-Visible (UV–Vis) and FT-IR spectroscopy, confirming typical polysaccharide structures. After 6 cycles, the polysaccharide yield of recycled NADES decreased from 16.26% to 9.22% in the final extraction, a 43.30% decrease. Two classical green evaluation models quantitatively confirmed the process's environmental friendliness. In addition, in vitro experiments showed that PRRP could increase dopamine (DA) and tyrosine hydroxylase (TH) levels, reduce lactate dehydrogenase (LDH) release, and decrease α -synuclein ( α -Syn) accumulation. This study highlights the efficiency of ChCl-CA as a green extractant and reveals the neuroprotective effect of PRRP. Download: Download high-res image (162KB) Download: Download full-size image Graphical abstract created in BioRender. com
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FOOD HYDROCOLLOIDS
·
2026
·
IF 13.8
Lingyi Gao,Bowen Zou,Zihan Qie,Wei Wan,Jianyu Zhu,Xiaokang Na,Ming Du,Chao Wu
Demand for high-protein beverages is rising, yet the poor thermal stability of soy protein isolate (SPI) limits its application because processing induces aggregation and gelation. Here, a low-concentration pre-modification strategy combining preheating and laccase (LAC) was developed to improve SPI thermal stability. Preheating partially unfolded SPI and exposed buried aromatic residues, enhancing LAC-catalyzed oxidation and radical generation. This promoted intermolecular covalent crosslinking and produced more stable protein particles. LAC improved SPI thermal stability in a level- and time-dependent manner, as shown by weaker gelation and better flowability after reheating. Particle-size analysis showed that LAC promoted aggregation before reheating and that the resulting aggregates remained relatively stable afterward. Structural analyses further indicated that LAC-induced stabilization involved conformational rearrangement and strengthened non-covalent interactions. Overall, combining preheating with LAC provides an effective strategy for improving SPI thermal stability in high-protein systems.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2026
·
IF 9.6
Xinxin Liang,Yongqian Cui,Ning Liu,Qibing Dong,Ximing Li,Ying Wang,Chao Ma,Chuanyi Wang
Sulfur vacancies increase Cd site charge density, favoring end-on O 2 adsorption. • End-on adsorption inhibits O O bond cleavage, suppressing •OH radical formation. • Overoxidation of pyruvic acid is prevented, leading to 91.4% selectivity. The photocatalytic valorization of polylactic acid (PLA) into high-value pyruvic acid (PA) represents a sustainable pathway toward a circular carbon economy. However, the generation of non-selective reactive oxygen species (ROS) typically compromises product selectivity. Herein, we report a sulfur-vacancy-modified CdS photocatalyst (CdS v ), which was synthesized via a facile co-precipitation method and engineered to precisely regulate ROS generation. Experimental and theoretical analyses reveal sulfur vacancies (S v ) enrich the localized electron density at adjacent Cd sites. This electronic modulation promotes molecular oxygen (O 2 ) capture at these Cd centers and concurrently drives a shift in the binding geometry from a side-on to an end-on orientation. The specific adsorption configuration significantly inhibits O O bond cleavage to form hydroxyl radicals (•OH) through the oxygen reduction reaction, thereby effectively suppressing the overoxidation of PA. Consequently, remarkable PA generation efficiency is achieved over the optimized CdS v catalyst, yielding 13.2 mmol g −1 h −1 with a high selectivity of 91.4%, which significantly surpasses most previously reported results. This work provides a molecular-level paradigm for the selective upcycling of plastic waste by regulating the formation of specific ROS through vacancy engineering. Sulfur vacancies intrinsically enrich the electron density at proximal Cd centers, thereby favoring molecular oxygen (O 2 ) adsorption and shifting its adsorption configuration from side-on to end-on. This specific adsorption configuration of O 2 suppresses O O bond cleavage during the oxygen reduction reaction, thereby steering the pathway toward preferential superoxide radicals (•O 2 − ) generation and mitigating the hydroxyl radical (•OH)-induced over-oxidation. Download: Download high-res image (160KB) Download: Download full-size image
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2026
·
IF 9.6
Yuying Wang,Xiutao Yang,Guopeng Zhu,Haibin Niu,Shaoqing Zhang,Quanying Wang,Hongwen Yu
The accurate non-enzymatic electrochemical detection of glucose is constrained by sluggish charge transfer kinetics and non-optimized adsorption of reaction intermediates on single-phase transition metal oxide. Herein, we rationally design heterojunction Co 3 O 4 /NiMoO 4 hierarchical arrays, where a spontaneous built-in electric field (BEF) is formed at the p-n hereo-interface due to the precise work function difference in NiMoO 4 and Co 3 O 4 . This BEF directionally drives electrons from NiMoO 4 to Co 3 O 4 at 0.16 |e|, as confirmed by DFT charge density and Bader charge analysis, thereby accelerating glucose electrocatalytic oxidation kinetics. Moreover, the hierarchical structure of Co 3 O 4 nanoneedles grown on NiMoO 4 nanorods enhances the electrochemical active area and introduces dual catalytic sites of Co and Ni atoms, whose d-band centers are modulated to weaken excessive adsorption at Co sites while maintaining Ni activity. As a results, the assembled sensor achieves an ultrahigh sensitivity of 28,470 μA mM −1 cm −2 , a low detection limit of 0.396 μM and excellent recovery rates (94.6%–105.6%) in complex real samples. This work demonstrates that resolving the charge transfer and adsorption trade-off via BEF-engineered heterostructure offers a generalizable route for high-performance sensing. Download: Download high-res image (156KB) Download: Download full-size image
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FOOD HYDROCOLLOIDS
·
2026
·
IF 13.8
Wenhui Zhao,Fangfei Sun,Junxian Yang,Kun Wang,Lincai Peng,Hui Li
The development of biodegradable intelligent and active packaging materials is essential to simultaneously address environmental pollution and food safety concerns associated with petroleum-based plastics. In this study, a “five birds with one stone” strategy was proposed by incorporating a deep eutectic extract derived from durian husk (DHE) into a fish bone gelatin/dialdehyde konjac glucomannan (FBG/DKGM) matrix to fabricate multifunctional films. The favorable properties of DHE enable it to serve as a plasticizer and functional additive, endowing the films with enhanced mechanical, barrier, antioxidant, antibacterial, and anti-counterfeiting properties, simultaneously. Compared with the FBG/DKGM film, the FBG/DKGM/DHE-30% film exhibited significantly improved tensile strength and elongation at break (increased by 53.05% and 79.68%, respectively), enhanced UV-blocking capability, and reduced water vapor and oxygen permeability by 35.77% and 42.96%, respectively. Moreover, this film also displayed DPPH and ABTS radical scavenging rate above 96.86% and antibacterial efficiencies above 94.17% against E. coli and S. aureus . Notably, the film exhibited visible fluorescence under UV light, enabling its application in anti-counterfeiting packaging and real-time monitoring of fresh-cut mango freshness based on pH-responsive fluorescence changes associated with acidic gases produced during storage. Furthermore, the FBG/DKGM/DHE films and their coating solutions were successfully applied to mango preservation, effectively delaying postharvest quality deterioration and extending shelf life to 16 days at ambient conditions. Overall, this work demonstrates a sustainable and efficient strategy for developing high-performance multifunctional composite film for food packaging.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2026
·Vol. 74
·期 31
·24501-24512
·
IF 6.7
Xie Sikui,He Yu-Cai
Lignocellulosic biomass, which consists primarily of
cellulose,
hemicellulose, and lignin, is a promising renewable feedstock for
producing high-value biobased amines. In this study, an integrated
chemobiocatalytic strategy was developed to synthesize furfurylamine
from corncob using a newly formulated deep eutectic solvent, [Bet][FA][LA],
that provides both catalytic and solubilizing functions. Under optimized
conditions, corncob was efficiently converted into furfural, which
was subsequently aminated by recombinant Escherichia coli BM-AlaDH coexpressing an ω-transaminase
and alanine dehydrogenase. The whole-cell catalyst enabled in situ
regeneration of L -alanine, thereby reducing amine-donor
requirements and improving biocatalytic efficiency. Integration of
[Bet][FA][LA]-mediated chemocatalysis with whole-cell biocatalysis
converted corncob into furfurylamine in [Bet][FA][LA]. The biocatalytic
amination system could convert biomass-derived 5-hydroxymethylfurfural
(320 mM) and vanillin (20 mM) into the corresponding amines in yields
of 95.4% and 91.0%, respectively. This work establishes a sustainable
route for converting lignocellulose-derived aldehydes into value-added
biobased amines and advances the comprehensive valorization of lignocellulosic
biomass.
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INDUSTRIAL CROPS AND PRODUCTS
·
2026
·
IF 6.4
Lijun Wang,Weilong Peng,Ji Cheng,Yaning Shi,Jingui Li,Shifeng Pan
COSMO-RS identified Bet-LA as the optimal green solvent for antioxidant recovery. • ANN-GA accurately optimized the non-linear ultrasound-assisted extraction process. • Bet-LA combined with ultrasound increased polyphenol yield by 1.86-fold vs ethanol. • MD simulations and SEM revealed the micro-level synergistic extraction mechanisms. • The green polyphenol extracts exhibited robust in vitro antioxidant capacities. The industrial extraction of bioactive compounds from plant matrices is increasingly shifting towards sustainable and green technologies for pharmaceutical, cosmetic, and functional food applications. In this study, a green and highly efficient strategy combining natural deep eutectic solvents (NADES) with ultrasound-assisted extraction (UAE) was developed to recover antioxidant polyphenols from Celastrus orbiculatus Thunb. To avoid empirical trial-and-error, the conductor-like screening model for realistic solvents (COSMO-RS) was first employed to predict the thermodynamic solubility of representative polyphenols, identifying the betaine-lactic acid (Bet-LA) system as the optimal solvent. Subsequently, an artificial neural network-genetic algorithm (ANN-GA) model was utilized to map and optimize the non-linear extraction parameters. Under optimal conditions (liquid-solid ratio of 33 mL/g, ultrasonic time of 36 min, and power of 520 W), the polyphenol yield reached 22.89 ± 0.41 mg GAE/g DW, representing a 1.86-fold increase over conventional 70% ethanol extraction. UPLC-Q Exactive/MS analysis revealed a significant enrichment of bioactive phenolics, predominantly epicatechin. Furthermore, scanning electron microscopy (SEM) and molecular dynamics (MD) simulations elucidated the extraction mechanisms: ultrasound-induced cavitation aggressively disrupted the plant cell walls, while the dense hydrogen-bonding network of Bet-LA provided superior solvation energy and affinity for the target polyphenols. Crucially, the green Bet-LA extracts exhibited robust in vitro antioxidant capacities (DPPH, ABTS, and FRAP). Overall, this study provides a theoretical and practical framework for the sustainable extraction of plant-derived polyphenols, highlighting their promising potential as natural antioxidants in various bio-based industries. Download: Download high-res image (221KB) Download: Download full-size image
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FOOD CHEMISTRY
·
2026
·
IF 10.4
Yukun Yang,Jian Liu,Rong Guo,Baoqing Bai,Tao Bo,Jinhua Zhang,Ligang Yu,Huilin Liu,Ying Zhang,Shuo Wang
A three-channel sensor array based on Au@Pt NPs was constructed. • Au@Pt NPs with dual-function characteristics was designed. • Discrimination of light aroma-type Baijiu (LAB) was achieved. • Different years, production processes, price gradients, and adulterated were analyzed. • This method highlighted simple to operate, rapid in detection. The development of light aroma-type Baijiu (LAB) industry proposes a growing need for developing rapid and accurate discrimination method for the quality control of LAB. This study innovatively constructed a dual-mode three-channel sensor array based on the gold/platinum nanoparticles (Au@Pt NPs) with surface engineering. In this case, two colorimetric sensor channels based on ascorbic acid/para-aminophenol-chloroauric acid-nanozyme (AA/ pAP-HAuCl₄-Au@Pt NPs) and one fluorescent sensor channel based on nanozyme‑hydrogen peroxide- o -phenylenediamine (Au@Pt NPs-H₂O₂-OPD) were established. Experimental results demonstrate the colorimetric and fluorescence mode can accurately quantify four organic acids and three aldehydes in Baijiu, respectively. Samples including 17 different years and 9 different production processes of basic liquors of LAB, 48 different price gradients of commercial LAB, and adulterated LAB were analyzed. Discrimination with an accuracy exceeding 96% by Linear Discriminant Analysis, Hierarchical Cluster Analysis, and leave-one-out cross-validation was achieved. The dual-mode three-channel sensor array is characterized by simplicity, rapidity and accuracy, providing a new idea for the quality discrimination and market regulation of Baijiu.
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