JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Pengshuai Zhang,Haiyan Luo,Lan Cui,Jixiu Deng,Shiyu Xie,Danfeng Liu,Shuqi Wang,Xiaoying Si,Zichao Wang,Yameng Wan,En Zhang,Xing Li,Lu Zhang
Solid-liquid equilibrium solubility of artemisinin (ART) Form I in twelve mono-solvents namely N, N-dimethylformamide (DMF), oxolane (THF), n -propanol (NPA), 4-methylpentan-2-one (MIBK), ethyl formate (EF), butyl acetate (BAC), 2-ethoxyethanol (EGEE), 1,4-Dioxane, 2-methoxyethanol (EGME), 2-propoxyethanol (EGPE), propyl acetate (NPAC) and 2-butoxyethanol (EGBE) from 283.15 K to 323.15 K were determined by a laser dynamic method under 0.1 MPa. The minimum solubility of ART (Form I) was found in NPA at 283.15 K (0.004541), the maximum mole fraction solubility of ART (Form I) was observed as 0.2523 in DMF at 323.15 K. At the temperature of 298.15 K, the experimental mole fraction solubility order of ART Form I in the tested solvents was DMF (0.1559) > 1,4-Dioxane (0.09117) > THF (0.08301) > MIBK (0.05054) > EF (0.04902) > NPAC (0.03860) > BAC (0.03658) > EGME (0.02031) > EGEE (0.01859) > EGPE (0.01817) > EGBE (0.01689) > NPA (0.007185). The solubility behavior was computationally correlated by Margules model, Wilson model, NRTL model, NRTL-SAC model, Buchowski-Ksiazczak λh model and UNIQUAC model, the total RMSD was no>0.025 in the selected models. With the help of Hansen solubility parameters (HSPs) analysis, molecular similarities of ART (Form I) in twelve mono-solvents were investigated. Besides, Hirschfeld surface analysis (HSs) was considered to evaluate the intermolecular interaction of artemisinin. Moreover, thermodynamic properties including Δ mix H , Δ mix G , Δ mix S , lnγ 1 , l n γ 1 ∞ of ART (Form I) in the selected solvents were estimated. All the negative Δ mix G and positive Δ mix S values indicated that the mixing process were spontaneous and entropy-increasing.
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Analytical Methods
·
2022
·Vol. 15
·期 3
·361-367
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IF 3.532
Chengjian Zhang,Sichen Li,Ruijie Zheng,Shengdi Tai,Kang Yang,Kun Zhang
Lower alcohols (C1–C7) have a close relationship with our lives and some of them are harmful to our body's health. For example, liquor mixed with a tiny amount of methanol is harmful to our health. Much of this study is about identifying one or two low-level alcohols. How to detect low-level alcohol and high-throughput and distinguish between analogues of alcohol remains a tremendous challenge. In this study, a new large ring Schiff base Sm(III) complex (Sm-2r) is synthesized with a double emission matrix using the template method. Its dynamic imine bond (CN) and organic ligands (H2L2r) with molecular rotor properties can respond to changes in viscosity and polarity in external environments. The PCA method is used to turn the data matrix into a fingerprint spectrum to distinguish different alcohols (C1–C7). Sm-2r enables the quantization of cyclopropyl and glycerol. Linear ranges of cyclopropanol and glycerol are 0–9.0% and 0–3.0% (v/v), respectively. In addition, Sm-2r has an excellent ability to distinguish the mixtures of n-PrOH and i-PrOH, C5H9OH and C6H11OH, n-PeOH and n-HeOH, 1,3-PDO and 1,2-PDO, MeOH and EtOH, 1,2-EG and 1,2-PDO at different volume ratios. We have provided a way to distinguish alcohol species based on their molecular polarity and viscosity.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2022
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IF 9.136
Qinlan Luo,Yan Ouyang,Shumin Hong,Nan Wang,Yuanyuan Li,Hongxia Gao,Gyeong S. Hwang,Bohak Yoon,Teerawat Sema,Paitoon Tontiwachwuthikul,Peng Luo,Chintana Saiwan,Zhiwu Liang
To explore the regulatory factor of phase separation and the effect of solvent structure, the phase separation behavior, absorption/desorption performance, viscosity change, heat duty and ternary phase diagram of 3 monoethanolamine(MEA)-based phasic absorbents using 3 alcohols with various carbon chain lengths and isomers were determined by comprehensive experiments. The tunable phase separation behavior of MEA-based biphasic absorbents can be achieved by adjusting the mass concentration ratio of solvent and water, and the CO 2 loading of phase separation point was much more impacted by the effect of the carbon chain length than that of isomerism. The intermolecular interactions between species in solutions before and after CO 2 absorption were analyzed by the classical molecular dynamics simulations and independent gradient model analysis. Based on the experimental and computational results, the fundamental mechanism of phase separation was elucidated, which is related to the broken of hydrogen bonds between solvent with H 2 O or MEA, and the enhanced interaction among MEACOO − , MEAH + and H 2 O. This study highlights the effect of structure effect on developing advanced CO 2 biphasic absorbents, which may reduce the energy consumption of regeneration significantly.
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CARBOHYDRATE POLYMERS
·
2022
·
IF 10.723
Chuangchuang Zhang,Zekun Xu,Xingxun Liu,Mengting Ma,Sumbal Khalid,Matteo Bordiga,Zhongquan Sui,Harold Corke
The effects of starch granule-associated surface lipids removal on hull-less barley starch structure formed by heat-moisture treatment were investigated. Removing surface lipids made the peak at 2θ of 13 ° disappear and resulted in higher lamellar peak intensity after harsh treatment and a lower reduction in mass fractal dimension (from 2.49 to 2.43) and radius of gyration (from 24.3 to 24.0) when temperature increased from 100 to 120 °C at 20 % moisture. Treatment at 25 % moisture and 120 °C decreased relative crystallinity (from 15.73 % to 7.43 %) and Gaussian peak area (from 646.7 to 137.7) of native starch, and decreased relative crystallinity (from 14.24 % to 12.56 %) and Gaussian peak area (from 604.1 to 539.6) for starch without surface lipids. Different trends of change in lamellar thickness, linear crystallinity, peak temperatures, and enthalpy of gelatinization were observed among modified starches with increasing temperature and/or moisture content. These results demonstrate that removing surface lipids changes structure of heat-moisture treated starch.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Feihu Li,Mengyuan Li,Jin Guo,Xiwei Hu,Jiaming Zhu,Qunsheng Li,Hongkang Zhao
N-Propanol (NPA) and n-propyl acetate (NPAC) can form an azeotrope under normal pressure, so their separation cannot be carried out by conventional distillation. Therefore, 1-butyl-3-methylimidazole acetate ([BMIM][OAC]) and ethylene glycol (EG) were selected as entrainers for extractive distillation of the two substances. Isobaric vapor–liquid equilibrium data were obtained by experiments of NPA + NPAC, NPA + NPAC + [BMIM][OAC], and NPA + NPAC + EG at normal pressure; the experimental results showed that the separation effect of [BMIM][OAC] is significantly better than that of EG. Finally, the data were fitted and correlated with the NRTL model. The ARD (average relative deviation) of NPA + NPAC, NPA + NPAC + [BMIM][OAC], and NPA + NPAC + EG is less than 5%, indicating that the NRTL model has good applicability to the vapor–liquid system.
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
·
2023
·
IF 4.4
Shangjun Lin,Wentao Liu,Xuehe Hou,Zhenyun Peng,Zhencheng Chen,Fangrong Hu
As an organic substance, n -propanol gas has been paid attention to in environmental monitoring and exhalation of lung cancer patient. In this paper a rapid detection method for n -propanol gas is developed based on molecularly imprinted polymers (MIP) and terahertz (THz) metasurface sensors. We first prepared a MIP suitable for detecting the n -propanol gas. And then the n -propanol MIP was modified to the THz metasurface sensor for detecting the n -propanol gas. Since the MIP adsorbed with n -propanol changes the dielectric environment of the sensor, the resonance frequency of the sensor also change. So we based on the n -propanol concentration was analyzed according to the change in resonance frequency. The experimental results showed that the sensor can effectively detect the n -propanol concentration in the range of 50–500 ppm (parts per million). In addition, we also verified the specificity and repeatability of the sensor. This work provides a new idea and method for the sensitive and specific detection of n -propanol gas.
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Frontiers in Microbiology
·
2023
·
IF 5.2
Song Wei,Xin Jiaying,Yu Chong,Xia Chungu,Pan Yu
Ferulic acid (FA) is a natural antibacterial agent rich in plants, FA has excellent antioxidant and antibacterial properties. However, because of its short alkane chain and large polarity, FA is difficult to penetrate the soluble lipid bilayer in the biofilm to enter the cell to play an inhibitory role, limiting its biological activity. To improve the antibacterial activity of FA, with the catalytic condition of Novozym 435, four alkyl ferulic acid esters (FCs) with different alkyl chain lengths were obtained by fatty alcohols (including 1-propanol (C3), 1-hexanol (C6), nonanol (C9), and lauryl alcohol (C12)) modification. The effect of FCs on P. aeruginosa was determined by Minimum inhibitory concentrations (MIC), minimum bactericidal concentrations (MBC), Growth curves, alkaline phosphatase (AKP) activity, crystal violet method, scanning electron microscopy (SEM), membrane potential, PI, cell contents leakage. Results showed that the antibacterial activity of FCs increased after esterification, and the antibacterial activity significantly increased and then decreased with the extension of the alkyl chain of the FCs. Hexyl ferulate (FC6) showed the best antibacterial activities against E. coli and P. aeruginosa (MIC for E. coli was 0.5 mg/ml, MIC for P. aeruginosa was 0.4 mg/ml). And Propyl ferulate (FC3) and FC6 showed the best antibacterial activities S. aureus and B. subtilis (MIC for S. aureus was 0.4 mg/ml, The MIC of B. subtilis was 1.1 mg/ml). In addition, the growth, AKP activity, bacterial biofilm, bacterial cell morphology, membrane potential and cell contents leakage of P. aeruginosa after different FCs were investigated, which found that FCs could damage the cell wall of P. aeruginosa and showed different effects on the P. aeruginosa cell biofilm. FC6 showed the best inhibition on the biofilm formation of P. aeruginosa cells, which caused the surface of P. aeruginosa cells to be rough and wrinkled. Some P. aeruginosa cells showed aggregation and adhesion, even rupture. The membrane hyperpolarization was obvious, which appeared as holes, leading to cell contents leakage (protein and nucleic acid). All these results concluded that the antibacterial activities FCs against foodborne pathogens depended on different fatty alcohol esterification of FA. FC6 showed the best inhibition on P. aeruginosa due to its effect on P. aeruginosa cell walls and biofilms and the leak of the cell contents. This study provides more practical methods and a theoretical basis for giving full play to the bacteriostatic effect of plant FA.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2022
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IF 9.965
Yilin Liu,Junbai Li
Celastrol , extracted from Tripterygium wilfordii Hook F, is one of the most promising natural extract for cancer treatment. Nevertheless, insufficient tumor retention and severe systemic toxicity still hinder its application. Herein, we report for the first time that Celastrol can directly self-assemble into size-controllable nanoparticles through the anti-solvent method by using different good solvent or by the variation of Celastrol concentrations. In vitro anti-cancer experiment revealed that the as-prepared nanoparticles can kill MCF-7 cells more effectively. Moreover, the nanoparticles can efficiently accumulate in tumors of the tumor bearing mice after tail vein injection. Under the administration of lethal dosage of Celastrol, the tumors are greatly suppressed and the mice maintain the activity. These results demonstrate that anti-solvent method may be a promising strategy to fabricate Celastrol nano-drugs with controllable size and less systemic toxicity for further clinical cancer treatment.
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EUROPEAN POLYMER JOURNAL
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2022
·
IF 5.546
Jieke Ye,Chen Qian,Yubing Dong,Yaofeng Zhu,Yaqin Fu
In this work, organic solvent-induced shape memory poly(ethylene- co -vinyl acetate) (EVA) monoliths are developed based on a facile thermally induced phase separation (TIPS) method. The obtained EVA monoliths show three-dimensional (3D) interconnected porous structures with tunable porosities from 54.52 % to 73.01 %, average pore sizes from 4.8 to 17.5 μm, and satisfactory shape memory properties. Utilizing the hydrophobic nature of EVA, the porous monoliths effectively separate oil/water by selective oil absorption. Moreover, the EVA monoliths exhibiting oil-triggered shape recovery are designed to be expandable oil absorbers, which shows doubled volumetric absorption capacities of 1.96–2.48 g/cm 3 for pentane, hexane, and octane with a prefixed compression strain of 70 %. The uniform porous structures of monolithic materials and shape memory properties of semi-crystalline elastomers are well combined in this work, which will provide new possibilities for the design of smart porous materials or structures for novel oil absorbers, thermal insulators, and flow reactors.
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2022
·
IF 3.269
Pengshuai Zhang,Ruping Ge,Chunxia Jin,Jixiu Deng,Feiyang Dai,Yameng Wan,Beibei Zhang,Shuwei Yu,Xing Li,En Zhang,Lan Zhang,Lu Zhang
The mole fraction solubility of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethenone (1-HPE) in twelve mono-solvent systems namely “2-methoxyethanol (2-ME), methanol (MeOH), ethanol (EtOH), butan-1-ol ( n -BuOH), 2-propoxyethanol (2-PE), propan-2-ol ( i -PrOH), 2-methylpropan-1-ol ( i -BuOH), Acetonitrile (MeCN), ethane-1,2-diol (EG), 2-ethoxyethanol (2-EE), propan-1-ol ( n -PrOH), 2-butoxyethanol (2-BE)” were determined from 283.15 K to 323.15 K under 0.1 MPa. The experimental solubility order follows: 2-ME > 2-EE > 2-PE > 2-BE > MeOH > EtOH > n -PrOH > i -PrOH ≈ n -BuOH > i -BuOH ≈ MeCN > EG. The UNIQUAC model, modified Apelblat model, NRTL model, Wilson model, Jouyban model and NRTL-SAC model equation were used to correlate of 1-HPE solubility, and the average 10 4 RMSD of them was 0.89, 1.21, 0.94, 4.72, 0.60 and 1.25, respectively. Furthermore, Hansen solubility parameters analysis (HSP) was used to evaluate the miscibility of 1-HPE in the selected solvents. Hirshfeld surface (HS) analysis was performed to discuss the electrostatic features and the patterns of intermolecular interactions of 1-HPE. Thermodynamic properties (Δ mix G , Δ mix S , Δ mix H , Δ dis G , Δ dis S , Δ dis H ) were calculated by the UNIQUAC model. The calculated results indicated that the dissolution and mixing process of 1-HPE in the mono-solvents selected in this work was spontaneous and entropy increment.
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DYES AND PIGMENTS
·
2022
·
IF 5.122
Yujiao Tu,Ze Liu,Lei Jiang,Yingying Xiang,Fei Song,Lifen Meng,Xiuling Ji,Lin Yuan
New coccine is one of the most used red colorants in foods. Due to its cytotoxicity, quantitative determination is very necessary. Herein, the ratiometric fluorescent and UV absorption dual-mode nanosensor , derived from fangchinoline and o-phenylenediamine, was successfully prepared by hydrothermal way. The prepared carbon dots with three colors were purified with dialysis, thin layer chromatography and chromatographic column. Highly green fluorescence of Fan,N-CDs was quenched by new coccine with inner filter effect. The dependence of the ratiometric fluorescent response on new coccine concentrations was found linear over the range of 0–12.5 μM and 20–55 μM with LOD of 30.12 nM and 54.85 nm, respectively. The linearity of UV absorption ranged from 0 to 45 μM with of LOD 1.98 nM. In addition, the nanosensor was used to determine new coccine in energy drinks, carbonated beverage, gum and ketchup. It provides a new insight on the detection of new coccine by the dual-mode nanosensor.
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ANALYTICA CHIMICA ACTA
·
2023
·
IF 6.2
Chendi Zhu,Hai Han,Zhiwei Chen,Yuan Shen,Qiaoxuan Zhang,Cai Bao,Jia-Huan Qu,Qiqin Wang,Zhengjin Jiang
Selective enrichment and analysis of therapeutic antibodies in biological fluids are crucial for the development of biopharmaceuticals. Recently, peptide-based affinity chromatography has exhibited fascinating prospects for antibody enrichment due to the high affinity and specificity of small peptides. However, the post-modification approach of peptide ligands on the material surface is complicated and time-consuming. In this study, a methacrylate modified tetrapeptide ( m -EDPW) was firstly demonstrated as the affinity ligand of trastuzumab ( K d = 1.91 ± 1.81 μM). Next, the m -EDPW based affinity monolith was prepared using a facile one-step polymerization method, which could overcome the drawbacks of traditional post-modification preparation strategies. Based on the monolith as described above, a simple enrichment approach was developed under the optimal washing and elution conditions. Based on the excellent properties, such as high porosity (53.09%), weak electrostatic interaction and suitable affinity (1.00 ± 2.14 μM for anti-HER2 ADC), this novel monolith exhibited good specificity and recovery for antibodies (91.6% for trastuzumab, 98.37% for anti-HER2 ADC), and low nonspecific adsorption for human serum albumin (DBC 10% = 0.5 mg/g polymer). Particularly, this material was successfully applied to enrich trastuzumab and its related antibody-drug conjugate (ADC) from different cell culture medias. The dynamic tracking analysis of ADC in the critical quality attributes (e.g., charge variants, drug to antibody ratio and subunit conjugation ratio) was also achieved by combining the enrichment approach, capillary electrophoresis or reversed phase liquid chromatography . In summary, the exploited peptide-based mimotope affinity materials showed a great potential for the application in biopharmaceutical analysis.
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