ACS Sustainable Chemistry & Engineering
·
2023
·
IF 8.4
Xiangyang Liu,Jianchun Chu,Shaoxuan Huang,An Li,Shuanlai Wang,Maogang He
Ionic liquids (ILs) are considered excellent substitutes for aqueous alkanolamine solutions in CO2 capture systems. However, the smart design of ILs, facing the small sparse data set and complex ionic structures, poses a huge challenge. To address this issue, a novel machine learning method based on a syntax-directed variational autoencoder (SDVAE), deep factorization machine (DeepFM), and gradient-based particle swarm optimization (GBPSO) was proposed in this work. The SDVAE converts the molecular structure and chemical space of the ILs, and then DeepFM predicts the solubility of each coordinate in the chemical space representing an IL. Finally, GBPSO identifies the coordinates that represent ILs with ideal properties. Our main optimization objective is a high solubility difference for CO2 between its absorption and desorption conditions in commercial plant capture systems, which represents the CO2 capture ability. The best IL generated has a predicted solubility difference that is 35.3% higher than that of the best one in the data set. A synthetic novel IL [EMIM][TOS] from the generated results was experimentally evaluated; it has a sufficiently high solubility difference to be a capture solvent with low energy consumption. Our model has proved to be a high-efficiency molecular design model that can be used for sparse small data sets.
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ACS Applied Energy Materials
·
2023
·
IF 6.4
Jiexuan Jiang,Ronghua Li,Dongliang Liu,Hongtao Xie,Qiugui Zeng,Yanbo Li
The all-inorganic CsPbI2Br perovskite possesses outstanding thermal stability as a light absorber in perovskite solar cells (PSCs) or photodetectors. Still, their sensitivity to moisture induces irreversible decomposition and a large number of halogen vacancy defects, hindering their commercial applications. Herein, by incorporating 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF4) ionic liquids (ILs) as a precursor additive, a CsPbI2Br light absorber with an improved carrier lifetime and reduced trap density is achieved. Moreover, the modification of the perovskite surface with CsPbBr3 quantum dots (QDs) further improved the efficiency and moisture stability of the PSC. As a result, the BMIMBF4 IL and CsPbBr3 QD co-modified PSC achieves a maximum power conversion efficiency (PCE) of 15.37% and retained 80% of its initial PCE after exposure to ambient air for 60 h. This work proposes a synergistic approach for developing high-performance organic-free PSCs with an improved PCE and moisture stability.
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Coatings
·
2021
·Vol. 11
·期 11
·1396
·
IF 2.881
Min Zhang,Dong Peng,Feifei Peng,Anwei Huang,Kaiqiang Song,Qingbing He,Changqing Yin,Jinsong Rao,Yuxin Zhang,Haitao Chen,Dalong Cong,Zhongsheng Li
The Al coatings were electrodeposited on the Cu substrate from AlCl3-EMIC ionic liquid (AlCl3:EMIC = 2:1 molar ratio) containing three cyanopyridine additives with different positions of the substituent group on the pyridine ring, which were 2-cyanopyridine, 3-cyanopyridine, and 4-cyanopyridine. The effects of cyanopyridine additives on the deposition potential, morphology, brightness, and corrosion properties of Al coatings were investigated. It was considered that the deposition potential of Al shifted to more negative overpotentials, the quality of Al coatings was promoted, and the corrosion property was improved by the cyanopyridine additives to a varying degree. Especially in the presence of 4-cyanopyridine, the flattest mirror bright Al coating was obtained, which had the smallest homogeneous nanocrystal grain size and strongest Al (200) crystallographic orientation. The average roughness Ra value was as low as 31 nm compared to that in the absence of cyanopyridine additives, which was 417 nm. Furthermore, the corrosion current density of the bright Al coating was three orders of magnitude lower than the rough Al coating, which resulted from the dense nanocrystal structure.Keywords:bright Al;electrodeposition;ionic liquids;cyanopyridine;additives
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JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Yu wang,Liwen Zhuang,Yang wang,Chuanrun Li,Yichun Dong,Zhigang Lei,Yanyan Guo
The solubility and solvation mechanism of the Biopharmaceutical Classification System class II insoluble drug, ketoconazole (KCZ), were investigated in eight different types of imidazolium-based ionic liquids (ILs). An in vitro cytotoxicity test was conducted on Human immortalized keratinocytes cells to evaluate the potential toxicity of these ILs. The results showed no cytotoxicity for any of the imidazolium-based ILs tested. The solubility of KCZ was then examined in the eight imidazolium-based ILs at temperatures ranging from 298.15 K to 338.15 K. The findings revealed that the solubility of KCZ followed a specific order among the imidazolium-based ILs tested. The imidazolium-based IL [BMIM][Tf 2 N] exhibited the highest solubility of KCZ, followed by [HMIM][PF 6 ], [EMIM][Tf 2 N], [BMIM][TfO], [BMIM][PF 6 ], [EMIM][TfO], [BMIM][BF 4 ], and [EMIM][BF 4 ] in decreasing order. To understand the interaction mechanism between the imidazolium-based ILs and KCZ, the cations, anions and KCZ were analyzed using σ -profiles computed from both the COSMO-RS model and quantum chemical calculations. The results indicated that KCZ had strong hydrogen bond (HB) acceptors, particularly the oxygen atom of the carbonyl group and the nitrogen atom of the imidazole ring. These HB acceptors contributed to the formation of stronger HBs with the hydrogen atoms of cations compared to the oxygen atoms of the anions. The trend of HB strength followed [Emim] + > [Bmim] + > [Hmim] + > [Tf 2 N] − > [TfO] − > [PF 6 ] − > [BF 4 ] − . Based on these findings, it can be concluded that [BMIM][Tf 2 N], which has a strong HB donor cation and a strong HB acceptor anion, displayed the most effective dissolution of KCZ.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2026
·
IF 8.7
Chao Zhou,Yingcui Cai,Yumei Lin,Qinyi Wu,Qianyu Wang,Xiaohao Shi,Xiaojia Huang,Yi Zhang,Mingmei Yang,Jianda Xu
Atopic dermatitis (AD) is a chronic inflammatory skin disorder characterized by impaired epidermal barrier function, immune dysregulation, and microbial colonization, particularly by Staphylococcus aureus ( S. aureus ). Current topical therapies are often limited by poor dermal penetration, systemic absorption, and long-term side effects. Microneedle (MN) patches have emerged as a promising transdermal delivery platform due to their minimally invasive nature and ability to bypass the stratum corneum. In this study, we developed a non-dissolvable cellulose acetate (CA) MN patch coated with zinc-phenolic imidazolium poly(ionic liquids) coating for AD treatment. The MN patches, fabricated using CA as the backbone, were respectively coated with poly(vinylbutylimidazolium dihydroxyphenylpropionic acid) (PVD) coordinated with Zn 2+ (PVD@Zn) or ZnO nanoparticles (PVD@ZnO), exhibiting favorable mechanical strength, sustained coatings release, potent antibacterial activity against S. aureus , cell migration, and anti-inflammatory property (such as reactive oxygen species (ROS) scavenging capacity and inflammatory factors down regulation). In vivo evaluations demonstrated enhanced biocompatibility, antibacterial activity, reduced inflammation, and promotion of skin barrier recovery. The multifunctional coated MN patches represented a rational strategy for synergistic antibacterial and anti-inflammatory therapy, offering a safe and effective approach for managing AD and other inflammatory skin conditions.
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高影响因子
ChemistrySelect
·
2023
·Vol. 8
·期 43
·e202302665
·
IF 2.1
Muhammad Umair Ahmad,Guoying Zhao,Shahid Hussain
Graphical An efficient trifloalumiate supported MOF(UIO-67) catalyst was synthesized to promote the butyl levulinate formation from α-angelica lactone under mild reaction, resulting in remarkable conversion and selectivity. The catalyst was easily separated and could be recycled five times without significant activity loss. Herein, levulinate acid esters (LAEs) were efficiently synthesized from the α-angelica lactone (α-AL) esterification with trifloaluminate ionic liquids supported UIO-67 MOF as Lewis acidic catalyst. A series of UIO-67 catalysts with varied trifloaluminate ionic liquids loading were prepared via the post-modification method and exhibited excellent catalytic activity for α-AL esterification. Remarkable α-AL conversion (100 %) and LAEs selectivity (>99 %) were achieved by UIO-67 catalysts (0.2 mol %) with 12.4 %, trifloaluminate ionic liquids loading (UIO-67-TFA) at 70 °C and 90 min. The UIO-67-TFA catalyst can be reused at least 5 cycles without significant loss of catalytic activity. The UIO-67-TFA catalysts were fully characterized by XRD, SEM, XPS, TGA, IR, N 2 physisorption, etc. The results indicated that the well-distributed active trifloaluminate Lewis acid catalytic sites, high BET surface area, and good thermal stability could contribute to its excellent catalytic activity.
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CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Mengni Zhu,Dianjingfeng Gong,Zhengxiao Ji,Jiaqi Yang,Mengshuang Wang,Zihui Wang,Shengyu Tao,Xianghui Wang,Min Xu
With the increasing utilization of therapeutic materials in wound care and skin bioelectronics, there is growing requirements for multifunctional hydrogels for personal therapy and health management. However, the limited functionality, mechanical incompatibility, and impracticality of traditional dressings and skin bioelectronics greatly restrict their widespread use in clinical settings. Herein, we fabricate a cellulose nanofibers (CNFs)-reinforced poly(Ionic Liquids) (PILs) composite hydrogel (PAC x V y ) which can be used as infected wound therapy and real-time reliable bioelectronic. The hydrogel showed an orderly interconnected cellular architecture with excellent stretchability, outstanding elasticity and low hysteresis. As a wound dressing, the hydrogel could provide the adhesion to seal wounds, biocompatibility and outstanding antibacterial activity, enabling the wound dressing to effectively inhibit bacterial growth and accelerate infected wound healing. ILs enables the hydrogel to have high conductivity, outstanding sensing performance and impressive temperature response. Therefore, the hydrogel may also work as novel flexible bioelectronics, which could accurately capture motion signals ranging from large strain to minute physiological signal, such as body movement, heart rate, pulse, and body temperature. Notably, a dual-channel remote clinical alarm system was fabricated by combining the hydrogel with tailor-made single-chip to wireless real-time monitoring of finger joint movement and temperature changes, which could establish a communication channel between patient and wounded and provide effective medical intervention timely. This line of research work sheds light on the hydrogel has significant implications for improving personal therapy and health management.
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NEW JOURNAL OF CHEMISTRY
·
2023
·Vol. 47
·期 43
·19943-19952
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IF 3.3
Bo Liu,Bing Liu,Zhangbin Liao,Jialin Zhang,Liying Guo
Four different acidic and basic ionic liquid intermediates were prepared first, and then combined with designed Fe–molybdenum Keggin-type heteropolyacids to prepare four functionalised heteropolyacid ionic liquid catalysts, functionalised heteropolyacid ionic liquids (FPOM-Ils). The performance of the catalytic degradation of bottle-grade polyester using the four heteropolyacid ionic liquids was investigated by taking waste mineral water bottle fragments as samples. Orthogonal tests were designed to rank reaction conditions in terms of their effects on the catalytic performance, which was most significantly affected by the reaction temperature. The degradation product, bis(hydroxyethyl) terephthalate (BHET), was also analysed for its chemical structure and purity. The results showed that the four heteropolyacid ionic liquid catalysts were successfully prepared, with good thermal stability. Among them, [HO3S-(CH2)3-mim]6[Fe(H2O)FeMo11O39] showed the best catalytic performance, which was achieved at 196 °C, a feeding ratio of 8 : 1, a reaction time of 3 h, and a catalyst dosage (as a percentage of reactant mass) of 0.2 wt%. At 196 °C, the alcoholysis rate could reach 100% and the yield of BHET was 91.92%. After six times of recycling, the alcoholysis rate was still as high as 94.36% and the yield of BHET was 82.3%, which demonstrated the desirable performance and promising development prospects of the prepared heteropolyacid ionic liquid catalysts in the catalytic degradation of bottle-grade polyester.
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ChemistrySelect
·
2023
·Vol. 8
·期 38
·e202302822
·
IF 2.1
Jiajia Fu,Chen Chen,Qiong Tang,Hong Xu,Lei Liu,Jinxiang Dong
Graphical At low temperatures, an efficient synthesis of polycyclic alkylated compounds by tetralin and 1,7-octadiene using Et 3 NHCl−AlCl 3 ionic liquid has been developed. The polycyclic alkylated tetralin with high viscosity has excellent tribological properties, which provides a new route for the production of high viscosity lubricating base oils from coal-based feedstocks. A novel polycyclic alkylated tetralin (PAT) similar to the naphthenic oil was successfully synthesized through Friedel-Crafts alkylation. This was accomplished by reacting coal-based chemical tetralin with 1,7-octadiene, using Et 3 NHCl−AlCl 3 ionic liquid as a catalyst. To enhance the selectivity towards dialkylated products (C28−2THN), the reaction conditions were systematically studied. Interestingly, the reaction could proceed well even at a low temperature of 0 °C and the selectivity for C28−2THN products could reach 54.0 %. The primary physicochemical properties of PAT were investigated in detail, it was found that the existence of polycyclic structures contributes to high viscosity, better thermal-oxidative stability and good polarity. Compared with octyltetralins- and commercial alkylnaphthalene-based oil (AN30), the PAT exhibited superior friction-reducing and anti-wear properties under the load of 100 N at 50 °C due to its rigid cycle structures and flexible chain.
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JOURNAL OF POWER SOURCES
·
2021
·
IF 9.127
Shuxin Yan,Yanlei Wang,Tianhua Chen,Zhongdong Gan,Shimou Chen,Yuwen Liu,Suojiang Zhang
Electrolyte is the key to improve the safety, cycle performance and temperature adaptation of lithium batteries . In this paper, we introduce a novel electrolyte that based on ionic liquids (ILs) 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (PYR 14 -TFSI) and fluorinated solvent 1,1,1,3,3,3-hexafluoroisopropyl methyl ether (HFPM). HFPM can significantly reduce the viscosity of PYR 14 -TFSI and enhance the wettability with Celgard separators. In addition, the coordination of PYR 14 -TFSI and HFPM promotes the local dissolution of lithium nitrate and helps to form a stable cathode/anode interface film. The electrochemical test shows that the electrochemical window of the electrolyte can reach to 5.35 V. For the Li/LiNi 0.6 Co 0.2 Mn 0.2 O 2 half cells, the capacity retention is 94% and the Coulomb efficiency is 99.9% after 100 cycles at 0.5 C. The uniform and dense interface film is characterized and confirmed by scanning electron microscopy and X-ray photoelectron spectroscopy, etc. Furthermore, the half-cell also exhibits good thermal stability at high temperature. Considering ILs and fluoroether are non-flammable solvent, this work may pave the way for designing future generation high-performance electrolyte for lithium batteries.
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FUEL
·
2021
·
IF 6.609
Jian Chen,Hongyan Wang,Lili Deng,Hui Wang,Zengxi Li
Butene oligomerization followed by hydrogenation is regarded as a promising way to produce alkylate oil, and the challenge of this process is the oriented conversion of butene to octene, which closely relates to the alkylate quality. Ionic liquids (ILs) are a kind of promising catalyst for olefin oligomerization. In this study, a series of functional metal-free acidic ILs (11 in total) were synthesized, characterized, and used for the oligomerization of iso butene. It was found that among the tested neat ILs, sulfobutyltriethylammonium triflate ([TENBs][CF 3 SO 3 ]) exhibited the best performance. This IL catalyst could be reused for 25 times, without obvious loss in catalytic activity. To improve catalytic activity of the neat IL, composite ILs formed by mixing [TENBs][CF 3 SO 3 ] with a second functional IL were developed. In the best composite system with tunable acidity, iso butene conversion could increase by ~88% compared with the neat IL, and meantime the dimer selectivity could increase to 79%. The conversion could increase from 25% to over 80% in the best composite system with enhanced mass transfer capability. Spectroscopic characterization and Gaussian simulation revealed the different catalytic behaviors of these ILs, which demonstrated that ILs with lower bond dissociation enthalpy (< 521 KJ·mol −1 ) and proper binding energy with iso butene (−27 to −20 KJ·mol −1 ) could efficiently catalyze iso butene oligomerization, the acidic active sites were from the sulfonic acid group in the cation and the acidic anion, and that deactivation of the IL catalyst after being used for 29 times could be attributed to the loss of the acid sites in both the cation and anion.
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MOLECULES
·
2021
·Vol. 26
·期 8
·2322
·
IF 4.412
Yunchang Fan,Di Wu,Sheli Zhang
Baicalin which has multiple biological activities is the main active component of the root ofScutellaria baicalensisGeorgi (SBG). Although its isolation and purification by adsorption methods have aroused much interest of the scientific community, it suffered from the poor selectivity of the adsorbents. In this work, an environmentally benign method was developed to prepare ionic liquids (ILs) grafted silica by using IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C4mim]NTf2) and ethanol as reaction media. The IL 1-propyl-3-methylimidazolium chloride ([C3mim]Cl) grafted silica ([C3mim]+Cl−@SiO2) was used to adsorb and purify baicalin from the root extract ofScutellaria baicalensisGeorgi (SBG). Experimental results indicated that the adsorption equilibrium can be quickly achieved (within 10 min). The adsorption behavior of [C3mim]+Cl−@SiO2for baicalin was in good agreement with Langmuir and Freundlich models and the adsorption was a physisorption process as suggested by Dubinin–Radushkevich model. Compared with commercial resins, [C3mim]+Cl−@SiO2showed the strongest adsorption ability and highest selectivity. After desorption and crystallization, a purity of baicalin as high as 96.5% could be obtained. These results indicated that the ILs grafted silica materials were promising adsorbents for the adsorption and purification of baicalin and showed huge potential in the purification of other bioactive compounds from natural sources.Keywords:ionic liquids (ILs);grafted silica;adsorption;baicalin;purification
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高影响因子
危险品化学品经营许可证（带存储）