JOURNAL OF MOLECULAR STRUCTURE
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2023
·
IF 3.8
Yangfeng Xia,Changbo Lu,Yaohui Wang,Jinmao Chen,Wanli Xu,Gaojun An,Yanqiang Zhang
Brønsted ionic liquids (BILs) were designed and applied to catalyze intramolecular cyclization of ketazines to 2-pyrazoline derivatives. Under the optimal conditions as 90 °C, 15 mol% [PsBim][CF 3 SO 3 ] dosage and 4 h, the conversion rate and selectivity of the reaction are up to 98 % and 99 % respectively. Through the substrate screening, it shows that the steric hindrance of the R group in ketazines is a big factor of cyclization activities, following the order of methyl (98 %) > ethyl (93 %) > n - propyl (87 %) > n‑butyl (81 %) > isopropyl (52 %) > isobutyl (46 %)> neobutyl (13 %). Moreover, the results of the density functional theory (DFT) calculations indicate that the cations and anions of BIL can synergistically participate in the ketazines configuration transformation step so as to significantly reduce the Gibbs free barrier energy from 30.65 to 20.12 kcal/mol, thereby promoting the cyclization reaction to synthesize 2-pyrazoline derivatives.
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RENEWABLE ENERGY
·
2023
·
IF 8.7
Yu Chai,Xin-Yu Tian,Xiao-Ping Zheng,Ya-Peng Du,Yu-Cang Zhang,Yan-Zhen Zheng
The primary challenges associated with converting chitin biomass into 5-hydroxymethylfurfural (5-HMF) primarily revolve around achieving high 5-HMF yields while overcoming various limitations from traditional acid-based catalysts, including complex post-treatment procedures, by-product generation, and equipment corrosion. In this view, a novel approach was developed to synthesize 5-HMF from chitosan under hydrothermal process using a mixture of DMSO and water as reaction medium. Biomass-derived organic carboxylic acids were used as catalysts due to their weaker corrosiveness compared to mineral acids. The acidity of the bio-based acid was adjusted using inexpensive ionic liquids. By combining 1-butyl-3-methylimidazolium chloride ([BMIM]Cl) with oxalic acid (OA), an excellent 29.1 % yield of 5-HMF conversion was achieved on the optimized condition. The improved dissociation ability of OA by [BMIM]Cl played a crucial role in this outcome. Using FTIR and density functional theory (DFT) techniques allowed for the proposal of a dissociation mechanism for OA induced by [BMIM]Cl, involving hydrogen bond interactions and the weakening of the O–H bond, facilitating the easy dissociation of hydrogen in the O–H group with H + formation. Furthermore, the untreated chitosan and the solid residues obtained during the conversion process were characterized revealing the gradual conversion and the quaternization in the NH 2 group of chitosan.
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INTERNATIONAL JOURNAL OF PHARMACEUTICS
·
2023
·
IF 5.8
Ting Xiao,Bin Li,Rongrong Lai,Ziyi Liu,Sha Xiong,Xiaojuan Li,Yao Zeng,Siwen Jiao,Yujia Tang,Yi Lu,Yuehong Xu
Androgenetic alopecia (AGA) is the primary hair loss with impairing patients’ quality of life. Finasteride (FIN) is an SRD5A2 inhibitor for AGA treatment, but oral FIN causes systemic adverse effects. Topical FIN delivery is anticipated to overcome this problem. Ferulic acid (FA) is a natural phenolic acid with vascular remodeling and anti-inflammatory effects. Herein, an active pharmaceutical ingredient ionic liquid (API IL) based on choline and FA (CF-IL) is for the first time constructed to load FIN for fabricating FIN CF-IL. CF-IL aims to act as carriers and cargos and enhance hair follicle (HF) co-delivery of FA and FIN for synergistic anti-alopecia. Thermal and spectroscopic analysis combined with quantum chemistry calculations and molecular dynamics confirm the formation of CF-IL. The CF-IL simultaneously increases the solubility of FA (∼648-fold) and FIN (∼686-fold), enhances the permeation and retention of FIN and FA through the follicular pathway, and promotes cellular uptake. FIN CFIL regulates the abnormal mRNA expressions in dihydrotestosterone-irritated hDPCs, and promotes hair regrowth in AGA mice in a combined manner with FIN and FA. These findings suggest that FA-based API IL is a promising approach for percutaneously co-delivering FA and FIN to HF, providing an enhanced targeting treatment for AGA.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2023
·
IF 9.9
Haohe Huang,Chaojian Zheng,Chongxing Huang,Shuangfei Wang
Lignin is regarded as a potential solution for boosting the strength of cellulose-based products. However, the mechanism of co-solubilization for lignin and cellulose has not been investigated. In this study, the effect of lignin content on the interaction between lignin and nanocellulose during lignin/cellulose co-dissolution was examined. The results revealed that lignin binds to nanocellulose throughout the dissolution process to limit the degradation of cellulose and to prepare nanocellulose/lignin composites. Moreover, the S units in lignin were more likely to interact with cellulose during the dissolution process, whereas the G units were more likely to condense. However, when the lignin content exceeded 30 wt%, the excess lignin created a severe condensation reaction, which led to a decrease in the lignin content bound to cellulose, resulting in an unequal dissolution of cellulose. Thus, a small amount of lignin attached to cellulose during the co-dissolution of lignin and cellulose inhibits cellulose degradation and can be utilized to create nanocellulose/lignin to extend the potential applications of nanocellulosic materials.
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2023
·
IF 6.2
Yanhua Zhang,Yuhang Mei,Xinglong Gao,Yumei Xiao,Zijun Tang,Xing Xiang,Jiadong Deng
Polyethylene-oxide (PEO) based composite polymer electrolytes (CPEs) with one-dimensional sepiolite confined ionic liquids (ILs) structure is constructed to further improve Li + conductivity and reduce cost. Silicon nanorods (SNRs) is obtained by microwave-assisted acid activation of sepiolite and then ILs is confined into SNRs by supercritical CO 2 fluid. The specific surface area of SNRs reduces from 170.88 m 2 g -1 to 2.19 m 2 g -1 after ILs confining, and the morphology and component of ILs in SNRs channel are clearly detected, indicating that the SNRs confined ILs structure (ILs@SNRs) is successfully obtained. The Li + conductivity of CPEs increases from 1.40 × 10 -6 S cm -1 to 0.922 × 10 -4 S cm -1 , which indicates that ILs confined in SNRs provide a fast channel for Li + transmission. Besides, the reduction of PEO crystallinity is also favorable to Li + transmission. The corresponding lithium symmetrical battery and LiFePO 4 battery has excellent electrochemical performances. The good rate performance is attributed to the high Li + migration number of 0.261 compare to 0.122 of PEO. Compared with the simple mixing of polymer and ILs, the confined ILs in SNRs channel will not be lost, which maintains the stability of Li + transmission and reduces the consumption amount of ILs thus greatly reducing the cost of CPEs.
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FOOD CHEMISTRY
·
2023
·
IF 8.8
Lili Zhang,Yan Li,Jing Gao
Haematococcus pluvialis is rich in astaxanthin ester (Ast 1 ) and free astaxanthin (Ast 2 ). The astaxanthin is natural antioxidant, and shows higher biodegradability and eco-friendly characteristics than commercial astaxanthin. However, the existing extraction technology is difficult to achieve selectively separation of Ast 1 and Ast 2 . Novel aqueous biphasic systems (ABSs) composed of ionic liquids (ILs) and deep eutectic solvents (DESs) were developed to selectively extract Ast 1 and Ast 2 . The results showed that the ABS composed of tributyloctylphosphine chloride ([P 4448 ]Cl) and choline chloride: d -fructose ([ChCl][Fru]) performed best. The yield and partition coefficient of astaxanthin was 2.35 mg·g −1 and 103.59, respectively. Moreover, Ast 1 and Ast 2 could be selectively separately with the highest coefficient of specificity of 48.31. Furthermore, the ABS maintained an excellent extraction capacity after three cycles of recycling. As compared with organic solvent extraction and prior methods, the IL-DES ABS is more efficient, recyclable, and environmentally friendly for selectively extraction of astaxanthin.
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SEPARATION AND PURIFICATION TECHNOLOGY
·
2021
·
IF 7.312
Hongmin Cui,Jinsong Shi,Yanlin Liu,Nanfu Yan,Chao Zhang,Shengyong You,Guihua Chen
As the consumption of rare earth elements (REEs) for many clean energy and consumer electronic sectors continues to grow, recycling REEs is essential due to the limited resources and high economic importance of high-value rare earth (RE). Herein, we describe the development of a novel alkali fusion, acid leaching, and liquid–liquid extraction process for the separation of lutetium from (Lu, Y) 2 SiO 5 (LYSO) scrap using diglycolamide-based task-specific ionic liquids (DGA-TSILs). The comprehensive disintegration of LYSO through alkaline fusion is discussed and subsequently optimized parameters were employed to extract REEs from LYSO under low acidity conditions during hydrochloric acid leaching. Two DGA-TSILs were used for the extraction of Lu(III) and Y(III) from chloride system. McCabe-Thiele diagram was constructed to determine the number of stages needed for the separation of Lu(III) from LYSO leachate, and stripping of Lu(III) from the loaded organic phase was achieved with 0.01 mol/L HCl solution. These results provide a green alternative to conventional methods of strategically important REEs recycling from LYSO scrap.
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ACS Sustainable Chemistry & Engineering
·
2020
·
IF 7.632
Xia Xiao,Jing-Kai He,Yi-Xin Guan,Shan-Jing Yao
Androst-4-ene-3,17-dione (AD) is an important intermediate of steroid drugs, and the microbial side-chain cleavage of sterols to produce AD by Mycobacterium sp. has attracted much attention. Unfortunately, a low yield of this reaction due to the extremely poor solubility of sterols in aqueous medium is a critical problem. Ionic liquid (IL) as a promising alternative to organic solvents is deemed to increase the solubility of hydrophobic substrates; however, the tolerance of microorganisms to ILs is limited and biocompatible ILs are desperately needed. In this work, cholinium amino acids ([Ch][AA]) ILs were first introduced as cosolvents for the whole-cell bioconversion of phytosterols to produce AD. The physicochemical properties of these novel ILs were investigated on the basis of their structures, and the solubility of phytosterols and AD in [Ch][AA] ILs aqueous solution was determined. The results indicated that moderate cell membrane permeability was obtained by [Ch][AA] ILs, and [Ch][Asp], [Ch][Glu], and [Ch][Gln] showed proper biocompatibility to Mycobacterium sp. MB 3683 cells among 18 kinds of [Ch][AA] ILs. The highest production of AD was achieved in 1% (v/v) [Ch][Asp], which was about twice as high as that in the buffer. Therefore, [Ch][AA] ILs are potential cosolvents in steroid biotransformation to promote medium engineering for a sustainable environment.
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GREEN CHEMISTRY
·
2020
·Vol. 23
·期 1
·592-596
·
IF 9.48
Guiling Shi,Ran Zhai,Haoran Li,Congmin Wang
A highly efficient catalytic system was developed for the reaction between CO2 and propargylic alcohols for alkylidene cyclic carbonates. Ionic liquids (ILs) with different anions and cations were designed as cocatalysts, in order to find out the effect of the cation and the anion on this reaction. The results indicated that the effect of the cation was significant, especially the hydroxyl group on the cation played an important role due to the presence of a hydrogen bond. It was also found that the basicity of the anion was important for its catalytic activity, where the anion with moderate basicity gave the best activity. Moreover, this hydroxyl and azolate dual functionalized catalytic system showed excellent reusability and generality. It is worth mentioning that at a low concentration of CO2, this dual functionalized catalytic system showed excellent catalytic activity even in a gram-scale reaction, indicating its potential in carbon capture and utilization processes.
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JOURNAL OF MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Lili Deng,Wenzhong Sun,Zijie Shi,Wei Qian,Qian Su,Li Dong,Hongyan He,Zengxi Li,Weiguo Cheng
The development of stable and efficient catalysts is an attractive topic for green chemistry reactions under mild reaction conditions. In order to improve solvent-free synthesis of cyclic carbonates from urea and diols , a binary catalyst systems of Zn-based and different ionic liquids (ILs) were developed and examined in this study. The yield of ethylene carbonate (EC) could reach to 92.2% in the presence of C 16 mimCl/ZnCl 2 catalyst. Through exploring the structure-activity relationships of cation and anion, it was confirmed that a synergistic effect of cation and anion of catalyst had important influences on urea alcoholysis . Additionally, the controlling step of EC synthesis reaction involving the elimination of an ammonia molecule from intermediates had been revealed by in situ FT-IR. This could afford a guided insight for synthesizing cyclic carbonates with high yield. Furthermore, a possible mechanism for the catalytic process was proposed based on DFT and the experimental results via FT-IR, 1 H-NMR and 13 C NMR analysis, which revealed that not only a probable synergistic effects of cation-anion matters, but also C(2)-H of ILs and Zn 2+ played a key role in accelerating the reaction of urea alcoholysis . This catalytic mechanism study is to provide a preliminary basis to develop novel catalysts for cyclic carbonates from urea and diols through a green synthetic pathway.
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JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Lincai Peng,Zhixia Wang,Haowen Zhu,Tianyu Zeng,Wen Zhou,Shun Yao,Hang Song
Despite ionic liquids (IL) have widely investigated for various applications as green solvents, their toxic effects have attracted great attention. A new series of tropine-amino acid ([BuTr][AA]) ILs were presented and characterized. Their physico-chemical properties including density, conductivity and pH, critical micelle concentrations of IL solutions were investigated in this work. Lipase activity assay was carried out to study the tolerance of [BuTr][AA] ILs to enzyme and to compare with imidazolium bromide salt ionic liquid ([Bmim]Br). It was found that the biocompatibility of most [BuTr][AA] ILs to lipase was better than [Bmim]Br. The effect of [BuTr][AA] ILs on enzyme activity was highly dependent on IL concentrations, pH and type of anion. To understand the interactions of ILs and lipase, Fourier transform infrared spectroscopy, ultraviolet–visible absorption spectra, fluorescence, circular dichroism, isothermal titration calorimetric measurements and the molecular docking method were used to further explain the lipase activity assay.
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RSC Advances
·
2020
·Vol. 10
·期 20
·11643-11651
·
IF 3.119
Qi Xia,Hong Peng,Lin Yuan,Lifang Hu,Yu Zhang,Roger Ruan
The exploration of a highly efficient and environment-friendly solvent for dissolving hemicellulose is significant. In this study, 1-butyl-3-methylimidazolium carboxylate ([Bmim]carboxylate)-based ionic liquids (ILs), including [Bmim]formate, [Bmim]acetate, [Bmim]propionate, and [Bmim]butyrate, were used as solvents to dissolve arabinoxylan-rich hemicellulose from bamboo. The hemicellulose solubility in the ILs was determined as a function of temperature. The interaction between the hemicellulose and the ILs was evaluated by using 1H and 13C NMR techniques. The hemicelluloses regenerated from the saturated IL solutions were characterized. Results showed that the temperature and structure of carboxylate anions deeply affected the hemicellulose solubility. The carboxylate anion played a more important role than the imidazolium cation in hemicellulose dissolution. The hydrogen bond that formed between the ILs and the hydroxyl groups at the XC2 position of xylopyranose units of hemicellulose was stronger than that between the ILs and the hydroxyl groups at XC3 position of xylopyranose units. The hydrogen bond strength between the hemicellulose and the ILs was affected by the alkyl chain of the carboxylate anion and the hemicellulose concentration. The disruption of the inter- and intra-molecular hydrogen bonds in hemicellulose by the ILs was responsible for the hemicellulose dissolution. The main chain of hemicellulose remained nearly unchanged during the dissolution process.
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