JOURNAL OF PHYSICAL CHEMISTRY B
·
2024
·
IF 2.8
Keke Chai,Toshio Yamaguchi,Taisen Zuo,Jochi Tseng,Kazutaka Ikeda,Yongquan Zhou
Ethaline, a deep eutectic solvent (DES) composed of choline chloride (ChCl)–ethylene glycol (EG) in a 1:2 molar ratio, is garnering significant interest for its wide potential applications. The nature of liquid formation and the structure of H-bonds within ethaline were investigated by X-ray scattering (XRS), neutron scattering (NS), and MD simulations. The sum of the dissociation energy barriers of Ch-EG (3.31 kJ·mol–1) and EG-Cl (4.28 kJ·mol–1) exceeds that of Ch-Cl (5.97 kJ·mol–1). This results in a more pronounced solvation of ChCl by EG compared to ChCl association, facilitating the solubilization of ChCl crystals by EG to form a DES. A partial radial distribution function (PDF) reveals that Cl– solvation is dominated by the hydroxyl group of EG, while the methylene group dominates Ch+ solvation. The spatial distribution function (SDF) shows that the distribution of EG and Cl– around Ch+ partially overlaps with that of the quaternary ammonium group. However, the center of mass distance of Ch-Cl (4.95 Å) is significantly lower than that of Ch-EG (5.65 Å), suggesting a favorable advantage for Cl– in this competition. Chain and ring structure distributions provide direct evidence of the microheterogeneity of ethaline. Hydroxyl groups on the EG promote the formation of a chain structure in ethaline, while methylene groups favor a ring structure. H-bond, carbon H-bond, and Cl– bridge bond restrict Cl– diffusion. This new understanding is crucial for a deeper comprehension of the microstructure of ethaline and for elucidating its mechanisms in applications.
研究领域:
物理化学
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材料科学
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计算化学
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DOI
PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Hongyao Li,Xinyu Gao,Zidan Luo,Subhan Mahmood,Enming Liu,Shun Yao
A ZrC@DES nanofluid system based on different deep eutectic solvents (DESs) and Zirconium carbide (ZrC) nanoparticles was synthesized for green extraction of cepharanthine (CEP) for the first time. The basic properties of DESs were explored and the prepared nanofluid system was characterized with a series of ways. As the key performance, the photothermal conversion performance of the latter was investigated in details as well as its stability. On the basis of above results, a novel extraction method for CEP under near-infrared light radiation was established, and the effects of various factors on its extraction yield were systematically studied under optimized conditions. The final yield of CEP reached 7.2978 mg/g, which was approximately four times higher than that of traditional heating method with ethanol. The Fick’s model could be well applied to fit the kinetic data; CEP was recovered and the components of nanofluid system were reused through the developed post-treatment procedures. Finally, the friendliness and low risk were proved by Zebrafish experiment. The whole study aimed to provide new reference for the extraction of natural bioactive products through energy conversion.
研究领域:
药学
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纳米技术
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植物化学
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DOI
高影响因子
MICROCHEMICAL JOURNAL
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2025
·
IF 5.1
Huiru Dong,Zhiwen Ren,Sa Sun,Shuli Pan,Yan Zhao,Ziyi Ni,YinYin Qian,Yuzhi Wang,Kaijia Xu
In this study, a novel magnetically responsive ferrofluid, composed of (3-aminopropyl)triethoxysilane (APTES)-modified Fe 3 O 4 nanoparticles (Fe 3 O 4 -NH 2 ) and a thymol/n-decanol hydrophobic deep eutectic solvent (DES), was developed and coupled with vortex-assisted dispersive micro-solid phase extraction (VA-D-μSPE) for the separation of dyes. Four dyes, including cationic malachite green oxalate (MG) and brilliant green (BG), and anionic amaranth (AM) and lemon yellow (LY), were selected as target analytes to investigate the extraction selectivity of the DES-Fe 3 O 4 -NH 2 ferrofluid. The results demonstrated that the DES-Fe 3 O 4 -NH 2 ferrofluid exhibited selective extraction towards cationic dyes. The extraction parameters, including salt concentration, pH, extraction time, and extractant volume, were systematically optimized. Under the optimal conditions, the extraction efficiencies for MG and BG reached 98.40 % and 97.95 %, respectively. Mechanism studies suggested that the DES-Fe 3 O 4 -NH 2 ferrofluid could interact with the dyes through hydrogen bonding, π-π interactions, electrostatic attraction, and hydrophobic interactions. The enrichment factors for MG and BG were 54.17 and 39.55, respectively. Additionally, the ferrofluid showed satisfactory recoveries for MG and BG in real water samples, ranging from 90.38 % to 112.63 % and 72.96 % to 121.12 %, respectively, with RSD of 0.53 % to 5.85 % and 0.37 % to 4.77 %. Comparison with other extractants confirmed the superior performance of the DES-Fe 3 O 4 -NH 2 ferrofluid, attributed to the synergistic effect of the magnetic nanoparticles and the DES carrier liquid. Overall, the DES-Fe 3 O 4 -NH 2 ferrofluid, characterized by its simple operation, rapid separation, environmental friendliness, and high efficiency, emerges as a promising candidate for the removal of dyes from aqueous environments.
研究领域:
分析化学
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环境科学
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纳米技术
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分离科学
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材料科学
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DOI
高影响因子
POSTHARVEST BIOLOGY AND TECHNOLOGY
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2024
·
IF 6.4
Hongchen Wan,Zhiwei Zhu,Da-Wen Sun
Moisture plays an important role in fruit preservation. In this study, deep eutectic solvents (DESs) were prepared and DES-based films with the property of buffering moisture variation were fabricated (CG 10 , CG 50 ). Low-field nuclear magnetic resonance (LF-NMR) analyses and Raman spectra suggested that the water states in DESs and DES-based films transferred from a tight combination to a loose combination during the moisture sorption process. In addition, the moisture sorption capacity (M eq = 2.91) of the film suggested that CG 50 possessed water storage capacity and a high effective diffusion coefficient (0.01 mm 2 d −1 ) ensured the easy passing of water molecules through the DES-based films. Furthermore, the fruit preservation experiment using cherry tomatoes as a representative showed that DES-based films as a “buffer pool” not only could inhibit spoilage but also maintain the stable packaging RH, indicating the potential of DES-based films in moisture regulation.
研究领域:
食品科学
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材料科学
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农业工程
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DOI
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JOURNAL OF CHROMATOGRAPHY A
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2025
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IF 4
Gaojin Zhou,Zhaojin Zhang,Subhan Mahmood,Jie Tang,Shun Yao
For the first time, two kinds of green solvents including ionic liquid (IL) and deep eutectic solvent (DES) were combined for achieving flavonoids and terpenoids simultaneously from Ginkgo leaves. They were applied in the form of micelles and the complex with natural carbon dots (CDs) as extraction and separation mediums, respectively. Especially, the latter was prepared from the lignocellulosic residue of Ginkgo leaves after extraction, which achieved the comprehensive utilization of natural resources. Critical micelle concentrations (CMC) of the IL were determined as 4.70–5.38 in the range from 5 to 45 °C, and the main particle size of CDs was found between 20 and 25 nm. After comprehensive characterization on them, a biphasic system composed of IL micelles and CDs@DES was constructed, with the former in the upper layer and the latter in the lower layer. Then it was successfully applied for obtaining flavonoids and terpenoids from the leaves of Ginkgo biloba with extraction efficiency of 96.2 % and 93.2 % respectively, which were analyzed by liquid chromatography-mass spectrum (LC-MS). Moreover, the IL and DES could be repeatedly used through the post-treatment.
研究领域:
绿色化学
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天然产物化学
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分析化学
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植物提取技术
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资源可持续利用
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DOI
PubMed
高影响因子
GREEN CHEMISTRY
·
2025
·Vol. 27
·期 9
·2538-2553
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IF 9.2
Yadan Luo,Linlin Liang,Huaying Luo,Fanyan Zeng,Chengrong Qin,Chen Liang,Baojie Liu,Caoxing Huang,Shuangquan Yao
Lignin nanoparticles (LNPs) address the challenges associated with the complex chemical structure and high molecular weight of lignin, thereby facilitating green value-added transformations. However, the heterogeneity of lignin significantly influences the self-assembly behavior of LNPs. To obtain lignin with optimal performance for the preparation of LNPs, a novel deep eutectic solvent (DES) featuring a robust hydrogen bond network (choline chloride/tartaric acid-FeCl3, CC/TA-FeCl3) was developed in this study. Extracted lignin exhibited a higher phenolic hydroxyl content and lower molecular weight. Specifically, the phenolic hydroxyl content (2.90 mmol g−1) increased by 15.54% compared to that extracted using (CC/lactic acid-FeCl3 (CC/LA-FeCl3)). Amphiphilic nanoparticles were synthesized via layer-by-layer self-assembly utilizing van der Waals forces and π–π interactions. They had a narrow particle size distribution (21–76 nm) and a small average particle size (35.33 nm). They exhibited a highly negative zeta potential of −31.25 mV and demonstrated effective free radical scavenging efficiency (79.87%). The water dispersion stability over 72 h was improved by 200%. The LNPs significantly enhanced the UV resistance (80%), tensile strength (72%), and hydrophobic characteristics (125%) of PVA films. LNPs/PVA film provides the feasibility for the high-quality development of green agriculture. These results provide a new approach for the green transformation of lignin through the preparation of efficient extraction and preparation of high-performance LNPs.
研究领域:
材料科学
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环境科学
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农业科学
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DOI
高影响因子
ChemSusChem
·
2024
·
IF 7.5
Guo Xusheng,Qin Chuan,Si Yuxi,Lyu Xilei,Youwei Cheng
5-Hydroxymethylfurfural(HMF) is a versatile chemical synthesized from glucose dehydration catalyzed by metal chloride (MClx) in deep eutectic solvents (DESs). However, the low glucose concentration and high catalyst dosage hinder large-scale HMF production. Herein, we report an aqueous DES of tetraethylammonium bromide(TEAB)-glucose for converting concentrated glucose (40 wt%, relative to TEAB) using ultra-dilute SnCl4 (0.25 mol%), achieving a 62% yield of HMF. Ultra-dilute MClx-catalyzed selective conversion of glucose is feasible only when combining SnCl4 with Br-based DES, which is elucidated by density functional theory and molecular dynamic calculations. Using SnCl4 is essential due to its higher glucose isomerization activity than AlCl3 and CrCl3, which can be attributed to its low-barrier coordination with glucose and its barrier-free separation from fructose. Halide anions in DESs strongly interact with glucose, hindering the MClx-glucose coordination and thereby reducing MClx’s activity for glucose isomerization. Consequently, Br-based DESs facilitate higher activity of MClx than Cl-based DESs, due to the weaker interaction between halide anion and glucose. In addition, we elucidated the side reactions including condensation, polymerization, and isomerization, and proposed a reaction network. Our findings clarify the differential activity of MClx and the impact of halide anions in DESs on MClx’s activity.
研究领域:
化学工程
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催化
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绿色化学
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材料科学
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计算化学
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产品关联
DOI
PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Shaoning Wang,Xinyu Cheng,Enqing Zhu,Tianqi Li,Lili Zhang,Yimin Fan,Zhiguo Wang
3D-printable information-storage expansion materials can integrate multilevel optical information within one carrier, which requires higher requirements for their mechanical properties. Cellulose nanofiber (CNF) is an attractive candidate for enhancing the mechanical properties of composite materials. However, CNF composites generally increase stress at the expense of strain by physical compounding of CNF. Herein, a physical and chemical double-cross-linked (DC) network of cellulose nanofiber/poly(deep eutectic solvent)(CNF/PDES) conductive elastomers are prepared by introducing glycidyl methacrylate (GMA) through nanofibrillation, derivatization modification, and in-situ polymerization in the oxalic acid/choline chloride (OA/ChCl) DES system. The carboxylation modification of OA-CNF could provide active cross-linking sites, and derivatization modification of GMA was shortened from 4 to 0.5 h under the catalysis of ZnCl 2 . DC OA-CNF/PDES conductive elastomers were rapid polymerization within 30 s and significantly improved the stress and strain simultaneously (stress: 252.51 kPa to 417.53 kPa, strain: 262.29% to 419.44%), and excellent 3D printable accuracy and formability for information encryption, and information-storage expansion. Subsequently, we systematically compared the feasibility and difference of OA/ChCl, lactic acid/choline chloride (LA/ChCl), maleic acid/choline chloride (MA/ChCl), and propanedioic acid/choline chloride (PA/ChCl), and provide a promising route for 3D-printable high-performance flexible sensors and information-storage expansion under DES systems.
研究领域:
材料科学
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化学工程
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纳米技术
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高影响因子
MATERIALWISSENSCHAFT UND WERKSTOFFTECHNIK
·
2020
·Vol. 51
·期 9
·1295-1303
·
IF 0.744
Y. Qian,H. Zhang,L. Li,Y. Duan
In this study, ZSM-5 zeolite with hierarchical porosity structure was synthesized by hydrothermal method using Al(OH) 3 , SiO 2 extracted from coal fly ash as aluminum source and silicon source. The optimal synthesis parameters of ZSM-5 zeolite were determined via an orthogonal analysis table. The optimum synthesis conditions were: SiO 2 /Al 2 O 3 /Na 2 O/hexadecyltrimethylammonium bromide/tetrapropyl ammonium bromide/H 2 O = 1/0.08/0.25/0.05/0.17/50, and the optimum crystallization temperature and crystallization time were 160 °C and 48 h, respectively. Scanning electron microscopy showed that the synthesized ZSM-5 zeolite exhibited a spherical shape. Nitrogen adsorption-desorption and Brunauer-Emmett-Teller measurement analysis displayed that the best sample ZSM-5 molecular sieve showed a typical type IV isotherm, and the micropores and mesopores coexisted in the sample, indicating the successful preparation of ZSM-5 zeolite with hierarchical porosity structure. The crystal growth of ZSM-5 under different hydrothermal conditions follows the “S” adjustment.
研究领域:
材料科学
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环境科学
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DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2025
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IF 7.3
Xinyi Hui,Cheng Zuo,Jiyun Qi,Jialong Wen,Tong-Qi Yuan
Aqueous two-phase system (ATPS) Pickering emulsions offer an attractive alternative to traditional oil–water emulsions (e.g., W/O, O/W, and O/W/O) for cosmetics, food processing, biotechnology, and particularly drug delivery. However, their scope of application is hindered by instability and toxicity concerns. Thus, developing a safe, oil-free, and long-term stable water-in-water (W/W) Pickering emulsion based on ATPS remains a critical challenge. Herein, we innovatively developed a safe, oil-free, long-term stable water-in-water (W/W) Pickering emulsion stabilized by green bamboo-derived hydrophobic lignin-containing cellulose nanofibers (H-LCNFs) for drug delivery applications. Hydrophobic H-LCNFs were prepared from bamboo via deep eutectic solvent (DES) pretreatment coupled with facile hydrophobization and employed to stabilize dextran (Dex)/polyethylene glycol (PEG) ATPS-based W/W emulsions. Systematic investigation of PEG/Dex composition, H-LCNF concentration (0.1–0.5 wt %), and pH revealed that 0.3 wt % H-LCNF conferred exceptional long-term stability (negligible droplet size change over 7 days) through electrostatic repulsion under pH 7–9, while elevated pH enhanced electrostatic repulsion, imparting significant pH responsiveness. Crucially, this system achieved resveratrol (RSV) encapsulation efficiency (62.11% to 95.6%) and retention rate (59.84% to 89.18%) surpassing the current level for hydrophobic drug delivery. Overall, this green, nontoxic ATPS stabilization strategy unlocks high-value lignocellulosic biomass utilization and provides a reference value for the research field of drug delivery.
研究领域:
材料科学
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纳米技术
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药物递送
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生物材料
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绿色化学
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生物医学工程
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产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Feng-Ying Wu,Yan Cheng,Xin-Yue Yuan,Qi-Lei Sun,Fu-Min Xue
The study investigated the extraction of alkaloids and glycosides from the Camptotheca acuminata Decne using deep eutectic solvent (DES). 18 types of deep eutectic solvents (DESs) were prepared, and it was found that the extraction performance of choline chloride (ChCl)-formic acid (FA) was optimal, surpassing traditional solvents such as methanol/70 % methanol. In comparison to methanol, the extracted amount of compounds by DES was 2–3 times higher. The extraction processes involving the molar ratio of ChCl-FA, pH, DES/H 2 O mass ratio, solid/liquid ratio, as well as ultrasonic power were optimized. A mathematical model for solid/liquid extraction kinetics from Camptotheca acuminata Decne was developed. The extraction mechanism was investigated using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), and 1 H nuclear magnetic resonance( 1 H NMR). The results revealed that the DES caused dissociation in Camptotheca acuminata Decne and formed hydrogen bonds with Camptothecin (CPT). Meanwhile, density functional theory (DFT) calculations verified that FA-based exhibited the highest extracted amount for CPT. In addition, this study investigated the recovery rate of DES, and the results showed that after 10 cycles, the DES system remained effective for the extraction of alkaloids and glycosides.
研究领域:
药学
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分析化学
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植物化学
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提取技术
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产品关联
DOI
高影响因子
TALANTA
·
2019
·
IF 4.916
Najing Fu,Liteng Li,Kaijing Liu,Chan Kyung Kim,Jun Li,Tao Zhu,Jianheng Li,Baokun Tang
With the development of deep eutectic solvents (DESs), more DES-based functional materials have been explored and applied in various areas. In this work, a novel choline chloride-acrylic acid (ChCl-AA) DES polymer, on a 2D magnetic base, was prepared for the recognition of β-lactoglobulin (β-LG) biomacromolecules in milk and for the inhibition of common bacteria such as Escherichia coli ( E. coli ), Pseudomonas fluorescens ( P. fluorescens ), Staphylococcus aureus ( S. aureus ), and Bacillus subtilis ( B. subtilis ). The ChCl-AA DESs were polymerized on the surface of 2D MoS 2 sheets doped with nano Fe 3 O 4 particles, and the resulting polymer was abbreviated poly(ChCl-AA DES)@Fe 3 O 4 @MoS 2 . The free energy (ΔG=−92) of ChCl-AA DES was calculated using the Gaussian software, the composition and structure of poly(ChCl-AA DES)@Fe 3 O 4 @MoS 2 were characterized by field emission scanning electron microscopy , transmission electron microscopy , etc ., the qualitative and quantitative analyses of β-LG were done by fluorescence spectra , sodium dodecyl sulfate polyacrylamide gel electrophoresis and high performance liquid chromatography, and the bioactivity of bacteria was analyzed by flat colony counting. Based on the present analysis, poly(ChCl-AA DES)@Fe 3 O 4 @MoS 2 specifically recognized β-LG in a good fitting Langmuir isotherm (R 2 = 0.9909) and second-order kinetic model (R 2 = 0.9989) by affinity, and evidently inhibited three bacteria, namely, E. coil (65%), S. aureus (50%), and B. subtilis (54%), effectively reducing the relative colony number. As the poly(ChCl-AA DES)@Fe 3 O 4 @MoS 2 material did not only exhibit specific recognition of biomacromolecules, but also had an antimicrobial effect against common bacteria, it could be an ideal separation media or carrier for biomacromolecules in real samples.
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高影响因子
危险品化学品经营许可证（带存储）