JOURNAL OF MOLECULAR LIQUIDS
·
2018
·
IF 4.513
Pengshuai Zhang,Rui Zhao,Chi Zhang,Yameng Wan,Tao Li,Baozeng Ren
The solubility of cyromazine in three binary solvent mixtures (acetic acid + water, propanoic acid + water, ethylene glycol + water) were measured by a gravimetric method from 278.15 K to 333.15 K under atmospheric pressure. The experimental results reveal that the mole fraction solubility of cyromazine increased with the increase of temperature in the three solvents. The Apelblat equation, the λh equation, the general single model ( GSM ) equation and the modified Jouyban-Acree model equation were all applied to correlate the experimental solubility of cyromazine well. Moreover, the dissolution thermodynamic properties: Δ sol H 0 (the apparent standard enthalpy change), Δ sol S 0 (the apparent standard entropy change), Δ sol G 0 (the apparent standard Gibbs energy change), ζ H (relative contribution of enthalpy) and ζ TS (relative contribution of entropy) of the dissolution of cyromazine in the selected solvents were calculated. The positive values of Δ sol H 0 , Δ sol G 0 , ζ H ≥ 0.5984 and ζ TS ≤ 0.4016 indicated that the dissolution of cyromazine in the three binary solvents was enthalpy-driving and endothermic process. The experimental solubility of cyromazine in this work can provide good guidance and fundamental data for the crystallization, purification and application of cyromazine.
研究领域:
化学工程
·
药物化学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Jieyu Sui,Ruixuan Zhou,Kunyan Sui,Pengfei Qi,Wenxin Fan
The high-efficiency removal of harmful and persistent polycyclic aromatic hydrocarbon (PAH) pollutants from natural water is critical for safeguarding human health. A major challenge lies in the absence of effective technologies to accelerate the transfer of chemically inert and electroneutral PAHs from contaminated water to nano-adsorbents or nano-catalysts. Herein, we present a novel TiO 2 /polycation composite hydrogel membrane featuring dual gradients of positively charged groups and TiO 2 nano-catalysts for the deep and high-efficiency removal of PAH pollutants. The gradient polycation hydrogel matrix facilitates the spontaneous absorption of PAHs through cation-π interactions, while driving the directional migration of PAHs towards the high-density side via enthalpy-driven force induced by the positive charge gradient. Consequently, irradiating the high-density side of the dual-gradient composite hydrogel, enriched with PAHs and TiO 2 nano-catalysts, enables rapid and deep photocatalytic degradation of PAHs (e.g., naphthalene and phenanthrene). Furthermore, a mathematical model based on the Flory-Rehner theory is firstly developed to precisely control the distribution of PAHs within the composite hydrogels. Our findings provide a robust framework for the design of advanced composite catalysts with substantially enhanced removal efficiency for PAH pollutants.
研究领域:
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2024
·
IF 7.7
Kang Ni,Anhong Liu,Yanwei Ding,Xiaodong Ye
Crowded environments, commonly found in the food system, are utilized to enhance the properties of soybean proteins. Despite their widespread application, little information exists regarding the impact of crowded environments on the denaturation behaviors of soybean proteins. In this study, we investigated how crowding agents with varying molecular weights, functional groups, and topology affect the denaturation behavior of glycinin under crowded conditions. The results reveal that thermal stability in PEG crowded environments is mainly influenced by both preferential hydration and binding. The stabilization is primarily enthalpy-driven, with aggregation contributing additional entropic stabilization. Specifically, ethylene glycol and diethylene glycol exhibit temperature-dependent, bilateral effects on glycinin stability. At the denaturation temperature, hydrophobic interactions play a predominant role, decreasing glycinin's thermal stability. However, at a molecular weight of 200 g/mol, there is a delicate balance between destabilizing and stabilizing effects, leading to no significant change in thermal stability. With the addition of PEG 400, 1000, and 2000, besides preferential hydration, additional hard-core repulsions between glycinin molecules enhance thermal stability. Methylation modification experiments demonstrated that 2-methoxyethyl ether exerted a more pronounced denaturing effect. Additionally, the cyclization of PEG 1000 decreased its stabilizing effect.
研究领域:
食品科学
·
蛋白质化学
·
生物物理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2022
·
IF 3.269
Shijie Xu,Tengfei Cao,Mingjia Ma,Yanfei Wang
The effects of solvent properties and temperature on the solid–liquid equilibrium of 2-bromodibenzofuran (NSC 1735) were investigated for the first time in terms of temperature, solvent polarity, hydrogen bonding donor and acceptor tendency, as well as cohesive energy density. Firstly, the equilibrium solubility of 2-bromodibenzofuran in 12 mono-solvents, such as alcohol, ketone, nitrile and ester, was determined by gravimetric method ranging from 278.15 ∼ 343.15 K. The values of the mole fraction solubility of NSC 1735 in all the selected solvents increased with increasing temperature. Moreover, the statistical correlations between temperature and solubility were described by the modified Apelblat equation, λh equation, Van’t Hoff equation, and NRTL model. The calculated ARD% values show that the correlation results agree well with the experimental date and the modified Apelblat equation receives the best regression performance. Solvent polarity and cohesive energy density mainly determine the solubility of NSC 1735 in various solvents. Thermodynamic studies of dissolution have shown that the dissolution of NSC 1735 in selected solvents.is endothermic and enthalpy driven. The change of dissolution enthalpy is the main contributor to the molar Gibbs free energy during the dissolution process.
研究领域:
化学工程
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热力学
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药学科学
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溶解度研究
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Jie Chen,Yishu Ni,Pingjing Zhang,Xianrui Liang,Sheng Fang
This study investigated the possibility of using green solvent natural deep eutectic solvents (NADESs) as dual solvent-catalysts for the solubilization and deglycosylation of soybean isoflavones. The deglycosylation behavior of genistin as a model compound in NADESs was compared. Acidic NADESs showed moderate solubility for genistin and could hydrolyze it to form genistein. The onset temperature of deglycosylation in the choline chloride/malic acid (Ch-Ma) was 60 °C. The solubilities of genistin in the Ch-Ma system were modeled. The dissolution process was endothermic and mainly enthalpy-driven. The deglycosylation followed first-order kinetics with a half-life ( t 1/2 ) of 40 min at 90 °C. The method was validated using soybean isoflavone extracts as a substrate and the ratio of glycoside to aglycone in the extracts could be adjusted by changing the conditions. The methods have great potential in the extraction and preparation of ready-to-use isoflavone extracts from soybean and other legumes.
研究领域:
化学工程
·
药学
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食品科学
·
有机化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LANGMUIR
·
2011
·
IF 4.269
Lijuan Shi,Na Li,Han Yan,Yan’an Gao,Liqiang Zheng
The aggregation behavior of three long-chain N-aryl imidazolium ionic liquids (ILs), 1-(2,4,6-trimethylphenyl)-3-alkylimidazolium bromide [Cnpim]Br (n = 10, 12, and 14), in aqueous solutions was systematically explored by surface tension, electrical conductivity, and 1H NMR. A lower critical micelle concentration (cmc) for the N-aryl imidazolium ILs is observed compared with that for 1,3-dialkylimidazolium ILs [Cnmim]Br, indicating that the incorporation of the 2,4,6-trimethylphenyl group into a headgroup favors micellization. The enhanced π−π interactions among the adjacent 2,4,6-trimethylphenyl groups weaken the steric hindrance of headgroups and thus lead to a dense arrangement of [Cnpim]Br molecules at the air−water interface. An analysis of the 1H NMR spectra revealed that the introduced 2,4,6-trimethylphenyl group may slightly bend into the hydrophobic regions upon micellization. The micelle formation process for [Cnpim]Br (n = 10, 12, and 14) was found to be enthalpy-driven in the investigated temperature range, which is attributed to the strong electrostatic self-repulsion of the headgroups and the counterions as well as the π−π interactions among headgroups. Strong, stable fluorescence properties are presented by the new N-aryl imidazolium ILs, indicating their potential application in the field of photochemistry.
研究领域:
物理化学
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胶体科学
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光化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RSC Advances
·
2018
·Vol. 8
·期 36
·20295-20303
·
IF 2.936
Qiaomei Sun,Zili Suo,Hongyu Pu,Peixiao Tang,Na Gan,Ruixue Gan,Yuanming Zhai,Xiaohui Ding,Hui Li
Thiabendazole (TBZ) is a commonly used food preservative and has a wide range of anthelmintic properties. In this study, computer simulations and experiments were conducted to investigate the interaction mechanism of TBZ and herring sperm DNA (hsDNA) at the molecular level. Molecular docking showed that TBZ interacted with DNA in groove mode and bound in A-T and C-G base pair regions. Molecular dynamics (MD) was used to evaluate the stability of the TBZ–DNA complex and found that the three phases in MD and the hydrogen bonds helped maintain the combination. NMR relaxation indicated that TBZ had a certain affinity to hsDNA with a binding constant of 462.43 L mol−1, and the thiazole ring was the main group bound with DNA. Results obtained from fluorescence experiments showed that the binding of TBZ and hsDNA was predominantly driven by enthalpy through a static quenching mechanism. Circular dichroism and viscosity measurements proved the groove binding mode. The FTIR results clarified the conformational changes of DNA, that the DNA helix became shorter and compact, and the DNA structure transformed from B-form to A-form.
研究领域:
食品科学
·
分子生物学
·
生物物理学
·
药物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）