ANALYTICAL CHEMISTRY
·
2024
·
IF 6.7
Jijuan Zhou,Dianlong Ge,Yue Liu,Yajing Chu,Xiangxue Zheng,Yan Lu,Yannan Chu
Cellular volatile organic compound (VOC) detection is crucial for studying lung cancer biomarkers. However, the reported VOC biomarkers from the same cell line seem to be inconsistent across different research groups. It is possibly related to the variation in culture media, and the result obtained by a conventional single medium approach (SMA) depends on what medium is used in the cell experiment. This study proposes a multiple media approach (MMA) to investigate reproducible characteristic VOCs of lung cancer cells. Using solid-phase microextraction–gas chromatography–mass spectrometry (SPME-GC-MS) in combination with untargeted analysis, we conducted two independently repetitive experiments to compare lung cancer cells (A549) and normal lung cells (BEAS-2B) under three culture media conditions (RPMI 1640, DMEM, and Ham’s F12). Both experiments indicated that, compared with 62–96 VOCs obtained by the SMA, only two VOCs (3-methyl-1-butanol and 2-methyl-1-butanol) were reproducibly achieved by the MMA. Moreover, their concentrations were significantly lower in lung cancer cells than in normal cells. Further targeted analysis confirmed the downregulation trend of both VOCs in subcutaneous and primary tumor tissues from the lung cancer model mouse. The present work demonstrated that the MMA cell experiment, just like the multicenter trials for cell lines, can facilitate the discovery of reproducible characteristic VOCs. This provides a cellular experimental basis and scientific evidence for lung cancer biomarker investigation and even breath biopsy technique development.
研究领域:
医学
·
分析化学
·
肿瘤学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2025
·
IF 3.9
Liuxing She,Lei Peng,Hang Yuan,Tianrong Zhu,Qiang Fu,Zaikun Wu
The absorption kinetics of CO2 into a novel nonaqueous mixture of 2-amino-2-methyl-1-propanol (AMP) and piperazine (PZ) was studied at atmospheric pressure. The effects of AMP/PZ molar ratio, total concentration, absorption temperature, and inlet flow rate were discussed. The results showed that the composite absorbent with an AMP/PZ ratio of 6:4 had a good effect on the CO2 absorption at 293 K. Unlike relevant reports at home and abroad, the solubility of CO2 in the 1-pentanol solution of AMP and PZ (AMP-PZ-Pentanol) was calculated based on a solution rule model and relevant data from Aspen Plus. The absorption kinetics of CO2 into nonaqueous composite absorbent was analyzed by a double stirred-cell absorber. It shows the enhancement factor increases with the increasing of total concentration but decreases with the increasing of absorption temperature. The absorption mechanism of CO2 in AMP-PZ-Pentanol was determined to be the formation of carbamate by FT-IR, 13C NMR, and XRD analysis. Based on the vapor–liquid equilibrium theory, the reaction heat of CO2 into the phase change absorbent was calculated to be 9.30 KJ mol–1. The results show that the composite absorbent has a lower reaction heat than any single component in it. The desorption experiment of saturated solution shows that the composite absorbent can be completely regenerated in a short period of time, which meets the industrial requirements for CO2 absorbents and will provide a theoretical basis for further industrial applications of this type of absorbent.
研究领域:
化学工程
·
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Yi Yu,Xiaoqiang Gao,Zhouxuan Zang,Li Xu,Guoji Liu
In this work, the solubility of 2-methyl-1,4-naphthoquinone (2-MNQ, Vitamin K3) and its by-product 2-naphthaldehyde in binary and ternary systems was studied. Three phase diagrams were established based on the experimental solubility data. Each ternary phase diagram contains three crystallization regions (pure 2-MNQ, pure 2-naphthaldehyde and mixture of 2-MNQ and 2-naphthaldehyde), two co-saturated curves and one co-saturated point. The crystalline region of 2-MNQ is larger than that of 2-naphthaldehyde at three temperatures (283.15, 293.15 and 303.15) K. The solubility of the binary (2-MNQ + ethanol and 2-naphthaldehyde + ethanol) system was correlated by λh equation, modified Apelblat equation and NRTL model. The ternary (2-MNQ + 2-naphthaldehyde + ethanol) system was correlated by NRTL model. The calculated values agree well with the determined solubility data. Interaction energy between solute and solvent molecules were calculated to illustrate the solubility behavior of 2-MNQ and 2-naphthaldehyde in ethanol. RDF shows that when adding pure 2-naphthaldehyde in solution of 2-MNQ + ethanol, the interaction between 2-MNQ and ethanol molecules will become stronger, which leads to an increase in solubility of 2-methyl-1,4-naphthoquinone. This study can provide basic data and theoretical foundation for the separation process.
研究领域:
化学工程
·
分子生物学
·
药物化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Yang Li,Kejia Liu,Long Meng,Yong Wang
The solubility of methyl 1,2,4-triazole-3-carboxylate in 14 solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, isobutyl alcohol, acetonitrile, acetone, 2-pentanone, 3-pentanone, 4-methyl-2-pentanone, cyclopentanone, cyclohexanone, tetrahydrofuran) in the range from 278.15 to 318.15 K and at atmospheric pressure was measured in this study. The solubility of methyl 1,2,4-triazole-3-carboxylate in all solvents increases with the increasing temperature. The solubility of methyl 1,2,4-triazole-3-carboxylate in the solvents except for methanol and cyclohexanone does not show much difference, and is significantly smaller than that in methanol and cyclohexanone. The solubility of methyl 1,2,4-triazole-3-carboxylate is not strictly related to polarity of the solvents as it is to the existence of other factors. The solubility of methyl 1,2,4-triazole-3-carboxylate was correlated by the λh equation, modified Apelblat model, and Yaws model. The Yaws model is the best one among the three models with average relative deviation (ARD) and average root-mean-square deviation (104(RMSD)) of 1.18% and 0.364. The work in this study provides important solubility data for purification and synthesis of methyl 1,2,4-triazole-3-carboxylate.
研究领域:
化学工程
·
物理化学
✓ 已验证
DOI
高影响因子
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
·
2024
·
IF 0.3
Kai-Long Zhong,Yue Zhou,Tian-Yu Zhang,Chao-Bo Yang
C 14 H 10 Br 4 , tetragonal, P 4 3 2 1 2 (no. 96), a = 6.8288(8) Å, c = 31.988(6) Å, V = 1491.7(5) Å 3 , Z = 4, R gt ( F ) = 0.0540, w R ref ( F 2 ) = 0.1479, T = 193 K.
研究领域:
化学
·
晶体学
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2024
·Vol. 14
·期 33
·23662-23671
·
IF 3.9
Wanjing Zhang,Liyan Wang,Hong Chen,Liying Guo,Yaoyao Bai,Xin Qian
A series of 2-methyl-1,3-propanediol (MPO) modified azelaic acid and hexylene glycol copolyester (PHMAZ) plasticizers with varying contents were synthesized using a direct esterification melt polycondensation method, and their structures were characterized systematically. Analysis using infrared spectroscopy and nuclear magnetic resonance spectroscopy confirmed the synthesis of the designed copolyester structure. Gel permeation chromatography (GPC) tests indicated that the number average molecular weight of each copolyester sample ranged between 2000 and 3000. These copolyesters were used to plasticize polyvinyl chloride (PVC) resin, and the glass transition temperature of the plasticized PVC samples was tested using a differential scanning calorimeter (DSC). Further characterization of the plasticizing effects was conducted using an electronic universal testing machine. The research results showed that as the content of MPO increased, the plasticizing effect of the copolyester initially increased and then decreased. Specifically, the copolyester containing 45% MPO, PHMAZ-45, demonstrated the best plasticizing effect on PVC, with the glass transition temperature of the plasticized PVC system around −35 °C, elongation at break at 908.4%, and a plasticizing efficiency of 254.5%. Additionally, this new type of copolyester plasticizer uses bio-based raw materials, exhibits excellent plasticizing effects, and the preparation process is stable and controllable. It holds promising potential to replace traditional volatile and toxic phthalate esters, presenting significant industrial application value.
研究领域:
材料科学
·
高分子化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF APPLIED POLYMER SCIENCE
·
2025
·
IF 2.8
Wanjing Zhang,Yuqi Shan,Liyan Wang,Yanming Chen,Liying Guo,Yunsheng Chong,Xin Qian
Currently, mainstream phthalate plasticizers pose serious threats to the environment and human health. As an eco-friendly and harmless alternative, polyester plasticizers have garnered widespread attention. However, their complex preparation process and low plasticizing efficiency have limited their practical application. In this study, a series of copolyester plasticizers (POMAZ), synthesized from azelaic acid, octanediol, and various contents of 2-methyl-1,3-propanediol (MPO), were prepared via direct esterification. The preparation process is controllable, and the number-average molecular weight of POMAZ ranges from 1000 to 4000, with a thermal degradation temperature above 270°C, demonstrating excellent thermal stability. PVC samples plasticized with POMAZ showed a decrease in glass transition temperature to −30°C and increased hydrophilicity with higher MPO content. Measurements of the tensile elongation at break of plasticized PVC verified the outstanding plasticizing performance of the POMAZ series. Specifically, POMAZ-45/PVC exhibited an elongation at break of up to 975.3%, with a plasticizing efficiency reaching 273.2%.
研究领域:
材料科学
·
环境科学
·
高分子化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Yina Sun,Guangwen Li,Kangfei Lu,Xingchuan Yang,Li Xu,Guoji Liu,Yi Yu
Solubility data and regularity of 3-methyl-1,2-cyclopentanedione (MCP) in twelve pure organic solvents were investigated by static method under certain conditions. The results of experiments demonstrate that the solubility of MCP is proportional to the temperature. One of the most solubilizing solvents is dichloromethane. A preliminary assessment of the potential for chemical bond formation between the solute and the solvent was conducted by examining electrostatic potential energy surfaces of the solute. The dissolution behavior was explained by physicochemical properties (polarity, hydrogen bond donor–acceptor propensities and cohesive energy density (CED)) of solvent. The results demonstrate that polarity has a more pronounced impact on the dissolution process, but that other properties also effect the dissolution process to some extent. The Density Functional Theory (DFT) was applied to demonstrate interactions between solute and solvent during the dissolution process. Six thermodynamic models (van’t Hoff, Apelblat, Yaws, λh , Wilson, Jouyban) were utilized to fit solubility data. Wilson model exhibits the highest correlation. The thermodynamic properties indicate that the dissolution of the MCP can be described as an entropy-driven process, which is endothermic and spontaneous.
研究领域:
物理化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
VACUUM
·
2024
·
IF 3.8
Kaile Shi,Haodong Zheng,Yuze Sun,Honghai Wang,Jing Fang,Chunli Li,Jiapeng Liu
The utilization of 1,4-butanediol (BDO) spans across numerous sectors, underscoring its significance as a pivotal chemical. However, the separation of crude BDO still presents great challenges. Ethylene glycol (EG) and 3-methyl-1,5-pentanediol (MPD) are classical impurities in BDO crude products. In this paper, the pressure and temperature data of MPD components under high vacuum pressure were measured, and Antoine constant was obtained by fitting to supplement the basic data. The isobaric vapor-liquid equilibrium (VLE) data for the EG-BDO and BDO-MPD mixtures were experimentally measured at pressures of 1.0, 10.0, and 50.0 kPa. Meanwhile, the thermodynamic consistency of the experimental binary data was examined using the Herington area test. The experimental VLE data for binary systems were analyzed using the nonrandom two-liquid (NRTL) universal quasichemical (UNIQUAC) and Wilson activity coefficient models, demonstrating that the predicted outcomes showed excellent agreement with the measured data. Finally, the interaction energy between the components was calculated by molecular simulation to explain the gas-liquid equilibrium behavior. Therefore, this work provided guidance and basis for the separation of EG-BDO and BDO-MPD in high vacuum separation.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
·
2020
·Vol. 37
·期 1
·297-305
·
IF 1.027
Yu Shuai,Hao Cui,Liu Yuzhi,Chen Hui,Cheng Yan,Xue Fumin
The solubility of 2-acrylamido-2-methyl-1-propane sulfonic acid (AMPS) in seven pure solvents, methanol, ethanol, 2-propanol, 1-butanol, isopentanol, acetone, and ethyl acetate, in the temperature range between 283.15 and 328.15 K at atmospheric pressure (101.3 kPa) is reported in this paper. The solubility of 2-acrylamido-2-methyl-1-propane-sulfonic acid increases with temperature in all selected solvents. The van’t Hoff equation, modified Apelblat equation, Wilson model, and λh model were applied to correct the solubility data. The results show that the modified Apelblat equation fits the best, with an average relative deviation of less than 3.70%. The mixing properties, such as Gibbs free energy, enthalpy and entropy of AMPS, were calculated based on the van’t Hoff equation. The dissolution process of AMPS in all solvents selected is endothermic, non-spontaneous and enthalpy-driven.
研究领域:
化学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2024
·
IF 9.4
Jiahang Zou,Hanxu Yang,Shilin Wu,Zhengquan Xiao,Zhipeng Jiang,Wangqiang Shen,Yongtao Li
Ether-based electrolytes are known for their high stability with lithium metal anodes (LMAs), but they often exhibit poor high-voltage stability. Structural optimization of ether-based solvent molecules has been proven to effectively broaden the electrochemical window of these electrolytes, yet the optimization rules within cyclic ethers remain unclear. Herein, we investigate the impact of methyl substitution positions on the molecular properties of 1,3-dioxolane (DOL), a commonly used cyclic ether. The results show that the introduction of methyl groups can effectively inhibit the ring-opening polymerization of DOL. Besides, 4-methyl-1,3-dioxolane (4-Me DOL), with larger steric hindrance compared to 2-methyl-1,3-dioxolane (2-Me DOL), exhibits weaker solvation ability, favoring the formation of anion-rich inner solvation sheath layers and anion-derived interfaces. Even at conventional concentrations, 1 M LiFSI in 4-Me DOL (LiFSI/4-Me DOL) electrolyte demonstrates good LMA stability and an expanded electrochemical window up to 4.6 V. The Li-LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) cell using LiFSI/4-Me DOL could stably cycle over 300 times. This work reveals a new design principle for solvent molecules.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2020
·
IF 2.888
Xingchuan Yang,Xiangmeng Chen,Chunmei Cao,Li Xu,Guoji Liu
Solubility and liquid–liquid equilibria data for ternary systems for (water + 1,6-hexanediol + 1-butanol/2-methyl-1-propanol) were obtained at (293.15–323.15) K under atmospheric pressure. The LLE data were determined using a double-jacketed glass vessel, and the solubility curves were acquired by the cloud-point method. The distribution coefficient and separation factors were calculated and the reliability of experimental data was assessed by the Othmer–Tobias equation and Hand equation. The measured LLE data were fitted by NRTL and UNIQUAC models and binary parameters were obtained by using of Aspen Plus software. The calculated root-mean-square deviation values show that the calculated results from models showed good agreement with experimental data.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）