MICROCHEMICAL JOURNAL
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2022
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IF 5.304
Meichao Liao,Yang Zhao,Xiaoyue Yang,Lin Yang,E-Hu Liu,Bin Lu,Jiye Wang,Xiaopeng Liu,Yanzhong Chang,Li Duan
The green and efficient extraction of bioactive compounds from plant biomass is an extraordinary area of interest in the pharmaceutical industries. In a perspective of sustainable development, we investigate an eco-friendly route using recycle hydrophobic deep eutectic solvent-assisted water extraction (RHD-WE) to effectively and simultaneously extract five main phenolic acids (caftaric acid, chlorogenic acid, caffeic acid, cichoric acid, 3,5-di-O-caffeoylquinic acid) from medicinal plant. In the procedure, 20 mg Taraxacum mongolicum powder was mixed with 800 µL water and 200 µL camphor/p-chlorophenol-based hydrophobic deep eutectic solvent (DES) at a molar ratio of 1:3. After 10 min vortex and centrifugation, the mixture was separated into aqueous phase and DES phase. Compared with other published procedures, phenolic acids were enriched in the aqueous phase. Aqueous solution of phenolic acid could be directly used as raw materials without further purification in pharmaceutical industries. Besides, hydrophobic DES phase could easily be recovered and reused in recycling studies. This is the first study of the recyclability of hydrophobic DES. Generally speaking, the model for the extraction of phenolic acids was well established and verified. The extraction efficiency was higher than other traditional extraction methods, approximately 14 mg/g of phenolic acids were obtained in the aqueous phase. In addition, the extraction mechanism was preliminarily discussed in this research. Such novel RHD-WE method might improve the existing schemes for extraction of bioactive compounds from plant materials. This study suggested that hydrophobic DESs could be used as green and safe auxiliary extractant for pharmaceutical applications.
研究领域:
植物化学
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药物开发
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可持续发展
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Guangxin Tian,Ying Luo,Boxuan Lou,Jingjiao Sui,Xiaolan Qin,Yuhui Shen,Xueyan Zhu,Jie Lu
Resmetirom (MGL-3196) can form masses of solvates with a variety of solvents. In this study, a series of solvates, including those reported in patents and newly discovered solvates, were prepared by experimental screening. Hansen solubility parameters (HSPs) were used to investigate the formation rules of MGL-3196 solvates, and the results showed that the formation of MGL-3196 solvates was most related to the parameter Δ δ t . When the Δ δ t value between MGL-3196 and solvent was less than 14.23 MP0.5 a, MGL-3196 tended to form solvate with an accuracy of 84.09%. The precise crystal structures of six solvates and one solvent-free form (form A) were acquired by single crystal X-ray diffraction (SCXRD). After analyzing the structures of obtained solvates in-depth from the aspects of conformation, dimeric synthon, molecular packing, porosity and isostructuralism, the six solvates were classified into alcohol solvates (group 2), ester solvates (group 3) and other types of solvates (group 1). Generally, these three groups of solvates had completely different crystal structures. The solvates in group 1 and group 3 were channelized and isostructural in which solvents could be substituted without great influence on the structure, while in the alcohol solvates (group 2) solvents were fixed by strong hydrogen bonds to be a part of the crystal structure. Moreover, when solvates were desolvated, two metastable solvent-free forms (i.e., B and C) were crystallized and then transformed to form A through a structural rearrangement. The possible mechanisms for the phase transformation during different desolvation processes were finally proposed. All results shall provide an understanding and inspiration on the screening and production of polymorphic and pseudopolymorphic forms of MGL-3196 for the pharmaceutical industry.
研究领域:
药学
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化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Yuxiang Liu,Hao Wu,Han Yue,Xiwei Hu,Qunsheng Li,Hongkang Zhao
We have determined the solubility of 4,4′-dimethoxybenzophenone (DMBP) in ten monosolvents and three binary solvent mixtures at temperatures ranging from 293.15 to 333.15 K and at atmospheric pressure. The solubility of DMBP in both monosolvents and binary solvent mixtures increases with temperature. The solubility of DMBP is greatest in the solvent benzene and lowest in the solvent methanol. The Apelblat equation is the most suitable equation for DMBP in both monosolvents and binary solvent mixtures, based on the results of our solubility experiment data and the data calculated by the thermodynamic models. The outcomes of the KAT-LSER model indicate that π* and δH play a prominent role in the dissolution behavior of DMBP. The mixing thermodynamic properties (ΔmixG, ΔmixH, and ΔmixS) demonstrate that the mixing process of DMBP is an entropy-increasing and spontaneous process, and whether the process absorbs heat or not is related to the properties of the solvents.
研究领域:
化学
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Pengjun Yao,Farao Zhang,Yang Yu
In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, n-propanol, isopropanol, 1-butanol, and methanol/ethanol/n-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10–4 (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10–4 (from the J–A and A–J–A models in acetone + water), respectively.
研究领域:
化学工程
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药物化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Hui He,Jingxuan Qiu,Haishuang Huang,Ying Guo,Haoyou Liu,Shen Hu,Jiaming Han,Yue Zhao,Peng Wang
The equilibrium solubility of N-benzylglycine in 11 pure solvents (methanol, ethanol, n-propyl alcohol, isopropyl alcohol, n-butyl alcohol, acetone, acetonitrile, dichloromethane, ethyl acetate, 1,4-dioxane, and water) and one binary water + ethanol solvent mixture was measured by a static gravimetric method covering the temperature range of (283.15–323.15) K. The polymorphism of N-benzylglycine was characterized via the powder X-ray diffraction test and the results indicate that no crystal form transition occurred during the dissolution process in all solvents studied. When the solvent composition is constant, the solubility of N-benzylglycine in all neat solvents and solvent mixtures is positively correlated with the experimental temperature. With the increase of the mole fraction of water at a certain temperature, the solubility curve of the binary water + ethanol solvent mixtures shows an inflection point, which may be the result of the synergistic solvation effects. The KAT-LSER model equation was used to analyze the mixed solvent system by multiple linear regression analysis to reveal the interactions between solute–solvent and solvent–solvent. In addition, the modified Apelblat model and the Apelblat–Jouyban–Acree model were utilized to correlate the solubility data.
研究领域:
药物化学
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物理化学
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DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2018
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IF 5.091
Qiang Wan,Huiyong Wang,Shuangyu Li,Jianji Wang
Liquid-phase exfoliation of graphite is a promising method to produce graphene in large quantities. Selection of the solvent is the most important factor in determining the productivity of liquid-phase exfoliation and stability of the graphene dispersion. However, only low concentrations of graphene dispersion have been achieved in most of the solvents, and the solvents usually employed are toxic up to now. To address the performance and environmental safety issues of solvent, renewable solvents water and 1, 1, 3, 3-tetramethylurea (TMU) are explored as a mixture to exfoliate graphite into graphene in the present work. It is found that water-TMU mixed solvent is a powerful solvent to obtain a few-layer graphene, and the yield at the water volume faction of 0.3 was 4.5 times that in neat N -methylpyrrolidinone (NMP). The solvent-cosolvent interactions (water-TMU heteroassociation) are a critical factor in the liquid-phase exfoliation of graphene. The results reported in this work may provide a guide to rational design of a sustainable solvent system and to improve the yield and stability of the exfoliated graphene.
研究领域:
材料科学
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化学工程
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Yanmin Shen,Wenju Liu,Chen Sun,Paifeng Shi
The solid–liquid phase equilibrium solubility of doxycycline hyclate (DH) in 10 pure organic solvents and cosolvent mixtures DMF (1) + ethanol (2), DMSO (1) + ethanol (2) and acetone (1) + ethanol (2) at a temperature range from 278.15 to 323.15 K was measured and discussed. The results indicated that the experimental mole fraction (x) of DH in 10 neat solvents followed this order: acrylic acid > acetic acid > 1-butanol > 1-pentanol > tetrahydrofuran > isobutyl alcohol > isopropyl alcohol> propanoic acid > acetone > acetonitrile, and temperature affected obviously the solubility especially in acetic acid. Moreover, the experimental mole fraction (x) of DH increased with mass concentration rising of DMF or DMSO in DMF (1) + ethanol (2) or DMSO (1) + ethanol (2), and decreased gradually with mass concentration rising of acetone in acetone (1) + ethanol (2). The experimental solubility in all solvents was correlated better by the modified Apelblat model according to lower values of RAD and RMSD.
研究领域:
药物化学
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物理化学
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DOI
高影响因子
JOURNAL OF MEMBRANE SCIENCE
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2020
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IF 7.183
Jiaqi Li,Mengxiao Zhang,Weilin Feng,Liping Zhu,Lin Zhang
Herein, a novel thin film composite (TFC) membrane pore-filled with polymer of intrinsic microporosity, PIM-1, has been developed for organic solvent nanofiltration (OSN). The TFC membranes were facilely prepared by dip-coating of PIM-1/chloroform solution onto polyacrylonitrile support membranes followed by a solvent vapor annealing (SVA) process. The relationship between preparation conditions, selective layer morphologies and OSN performances of the prepared TFC membranes were studied systematically. It was found PIM-1 was evidently filled into the near surface pores of support membranes due to the infiltration of PIM-1 solution. With the elongation of SVA time, the thickness of the PIM-1 layer decreased and the PIM-1/PAN interface gradually disappeared, which is advantageous to enhance the interfacial bonding. The prepared TFC membranes were used to reject organic molecules in organic solvents and exhibited tunable solvent permeability and solute rejection. Especially, the membranes were suitable for the removal of neutral molecules and anionic dyes from ethanol. The typical membrane demonstrated an ethanol permeance of 4.3 L m −2 h −1 bar −1 with a rejection of 93.7% towards Methyl Orange (327 Da). By comparing the permeance of various solvents, it is found that the closer the Hansen solubility parameter of solvent is to that of PIM-1, the higher the solvent permeance. This indicates the affinity between solvent and membrane plays an important role in solvent permeability. This work offers a novel and convenient strategy to prepare highly permeable membranes with controllable microstructures and tunable permselectivity to meet the diverse demands of molecular separation in organic solvents.
研究领域:
材料科学
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分离工程
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化学工程
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DOI
高影响因子
ENERGY & FUELS
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2017
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IF 3.091
Jun Cheng,Yannan Li,Leiqing Hu,Jianzhong Liu,Junhu Zhou,Kefa Cen
A phase-change solvent for CO2 absorption was prepared by mixing N-methyl-1,3-diaminopropane (MAPA) and N,N-dimethylformamide (DMF). In this MAPA/DMF solvent, MAPA-carbamate precipitate was formed after CO2 absorption to facilitate reducing energy consumption of amine regeneration. The CO2 uptake of MAPA/DMF solvent (14.8 mg/g solvent) was increased by 22% compared with that of MAPA/water solvent (12.1 mg/g solvent). For MAPA/DMF solvent, time was reduced by 22% to reach the CO2 absorption equilibrium. The maximum CO2 uptake rate of MAPA/DMF solvent was 30% higher than that of MAPA/water solvent because DMF displayed higher CO2 solubility and lower MAPA-carbamate solubility than water. Differential scanning calorimetry and thermogravimetry experiments revealed that MAPA(H+)2 and MAPA(CO2–)2 compositions in MAPA-carbamate precipitate first decomposed (peak temperature = 59.9 °C). Subsequently, the MAPACO2 compositions in precipitate also decomposed (peak temperature = 124.2 °C).
研究领域:
化学工程
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环境科学
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DOI
高影响因子
ACS Sustainable Chemistry & Engineering
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2021
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IF 8.198
Xiaomin Qiu,Yajuan Qu,Mengjing Zhou,Yangyang Liu,Zhaoyou Zhu,Yinglong Wang,Jingwei Yang
Extractive distillation is often used to separate difficult separation systems so as to realize the recovery and utilization of resources in industry. Based on the separation of ethylene glycol (EG), isoamyl alcohol, and water, the separation of ternary azeotropic mixtures by extractive distillation was studied. The study of extraction mechanism is very important for solvent screening and molecular design. To compare the selectivity of solvents, the interaction energies between solvent–water, solvent–EG, and solvent–isoamyl alcohol were calculated by the quantum chemical method. Atoms in molecules, reduced density gradient, and electrostatic potential were used to study the microextraction mechanism of solvents in the water–EG–isoamyl alcohol system. In extractive distillation, vapor–liquid equilibrium (VLE) data is used as the basic data for designing and optimizing the process. In order to solve the problem of lack of VLE data between N,N-dimethylformamide, dimethyl sulfoxide, choline-based deep eutectic solvents, and azeotropes, the VLE experiment of the solvent and azeotrope system was carried out. In this work, the selectivity of different solvents was compared by the quantum chemical method, the microextraction mechanism of solvents was explored, and the lack of VLE experimental data was supplemented, which provided theoretical guidance for the selection and design of solvent molecules with excellent performance.
研究领域:
化学工程
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分子科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2023
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IF 8.6
HaoJun Tian,Jiangzhou Luo,Xiangyun Liu,Xueping Zong,Song Xue
PIM-1 thin film composite (TFC) membrane has attracted great attention for organic solvent nanofiltration (OSN) because of its high porosity and excellent solution process-ability. However, the PIM-1 thin selective layer may swell excessively in polar solvents such as methanol and acetone, and thus it makes the connection between the PIM-1 selective layer and the porous support unstable, which can significantly impair its separation performance. In this work, a series of novel PIM-1 TFC membranes was obtained by spin-coating of PIM-1/tetrahydrofuran solution onto α-Al 2 O 3 ceramic supports followed by a thermal treatment process. Since the nitrile group within PIM-1 tends to experience a thermal crosslinking reaction forming stable triazine rings after heat treatment, thus the organic solvent resistance ability of PIM-1 TFC membrane was greatly enhanced. Results showed that the thermally treated PIM-1 TFC membranes possess better chemical stability in polar solvents and acceptable permeances for various solvents (e.g., 2 ∼ 4.2 L·m −2 ·h −1 ·bar −1 for methanol, and 4.3 ∼ 6.8 L·m −2 ·h −1 ·bar −1 for toluene). For instance, the PIM-1 TFC membrane termed as PIM-1-3 wt%-1h TFC showed a methanol permeance of 3.8 L·m −2 ·h −1 ·bar −1 with a rejection of 96.5% towards Congo red (M w = 697 Da). Moreover, compared to the pristine PIM-1 TFC membrane, the thermally treated PIM-1 TFC membrane possesses better separation stability after the long-term static immersion test in acetone and DMF for 7 days, and it also exhibit good stability in the continuous filtration test using 20 mg·L −1 Congo Red methanol solution, demonstrating a promising outlook in OSN fields.
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
GREEN CHEMISTRY
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2023
·Vol. 25
·期 14
·5566-5574
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IF 9.8
Yuwei Long,Zhishan Su,Lan Bai,Xu Zhao,Wenli An,Xuehui Liu,Shimei Xu,Yu-Zhong Wang
The solvent effect has been widely explored in small molecule reactions. However, understanding of the solvent effect on the degradation of thermosetting polymers, especially when it comes to mixed solvents, remains largely elusive. Here the effect of mixed solvents on the oxidative degradation of typical epoxy thermosets is presented. An enhancement effect of the swelling and diffusion was observed in mixed solvents of water and organic solvents, with a higher interaction energy. Besides, the introduction of an organic solvent can enhance the oxidation activities of an oxidant cerium ammonium nitrate aqueous solution. The multiple effects greatly promote the degradation of epoxy thermosets and complete degradation was even achieved at room temperature. This unconventional result reveals the synergistic effects of mixed solvents in polymer degradation and opens a new insight on polymer recycling. It is expected to guide polymers to achieve high value-added recovery and conversion with low energy consumption.
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）