从塑料包装的乳制品和储水箱中提取双甲的选基于烯的浸泡溶剂:COSMO-RS和量子化学计算
Nazir Fattahi1, Parvin Zohrabi1, Pouya Karimi2
1Research Center for Environmental Determinants of Health (RCEDH), Health Institute, Kermanshah University of Medical Sciences, Kermanshah, Iran.
Journal of chromatography. A
|January 23, 2026
概括
这项研究确定了薄荷醇:八酸 (2:1) 疏水性欧溶剂 (HESs) 作为有效的双A (BPA) 提取. 最优化的方法实现了75%的回收,为BPA分析提供了更绿色的替代方案.
科学领域:
- 环境化学环境化学
- 分析化学 分析化学
- 绿色化学 绿色化学
背景情况:
- 双A (BPA) 是一种广泛使用的工业化学品,由于其可能入生态系统,引起了严重的环境和健康问题.
- 由于BPA的毒性和持久性,需要有效和环保的提取方法来监测和修复.
研究的目的:
- 使用in-silico方法选基于烯的疏水性欧阳性溶剂 (HESs) 以有效提取双A (BPA).
- 通过实验验证和优化提取过程,重点关注环境影响和适用性.
主要方法:
- 利用COSMO-RS (in-silico) 来预测BPA提取各种基于烯的HES的效率.
- 进行了量子化学计算,以评估HESs中的键稳定性.
- 使用可切换pH的提取工艺对最有前途的HES (menthol:octanoic acid 2:1) 进行实验验证和优化.
主要成果:
- 一种薄荷:八酸 (2:1) HES被确定为最有效的溶剂.
- 确定了最佳的提取条件:95μL HES,100μL KOH 4.5 M,100μL HCl 5.0 M. 测定了最佳的提取条件.
- 获得了75%的最大提取回收,检测极限为0.05μg/L.
结论:
- 基于烯的高氧化,特别是薄荷:八酸 (2:1),为BPA提取提供了一种可行的和高效的方法.
- 开发的方法证明了良好的环境适用性和常规分析的潜力.
- 在中选显著减少了用于污染物提取的溶剂选择的实验力度.
相关概念视频
Solvents
70.2K
A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
A...
A...
70.2K
Quantum Numbers
49.5K
It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
49.5K
Water: A Bronsted-Lowry Acid and Base
58.0K
The reaction between a Brønsted-Lowry acid and water is called acid ionization. For example, when hydrogen fluoride dissolves in water and ionizes, protons are transferred from hydrogen fluoride molecules to water molecules, yielding hydronium ions and fluoride ions:
58.0K
Titration Calculations: Weak Acid - Strong Base
49.1K
Calculating pH for Titration Solutions: Weak Acid/Strong Base
For the titration of 25.00 mL of 0.100 M CH3CO2H with 0.100 M NaOH, the reaction can be represented as:
For the titration of 25.00 mL of 0.100 M CH3CO2H with 0.100 M NaOH, the reaction can be represented as:
49.1K
Titration Calculations: Strong Acid - Strong Base
33.8K
Calculating pH for Titration Solutions: Strong Acid/Strong Base
A titration is carried out for 25.00 mL of 0.100 M HCl (strong acid) with 0.100 M of a strong base NaOH. The pH at different volumes of added base solution can be calculated as follows:
(a) Titrant volume = 0 mL. The solution pH is due to the acid ionization of HCl. Because this is a strong acid, the ionization is complete and the hydronium ion molarity is 0.100 M. The pH of the solution is then:
A titration is carried out for 25.00 mL of 0.100 M HCl (strong acid) with 0.100 M of a strong base NaOH. The pH at different volumes of added base solution can be calculated as follows:
(a) Titrant volume = 0 mL. The solution pH is due to the acid ionization of HCl. Because this is a strong acid, the ionization is complete and the hydronium ion molarity is 0.100 M. The pH of the solution is then:
33.8K
Solubility Equilibria: Ionic Product of Water
1.5K
Pure water is a weak electrolyte; only a small amount ionizes into hydrogen and hydroxide ions. At any given temperature, the concentration of undissociated water is almost constant, so the ionic product of water is the product of the hydrogen and hydroxide ion concentrations, denoted as Kw. The square root of Kw gives the individual ion concentrations.
The ionic product of water varies with temperature, and its value is 1.0 x 10−14 at standard experimental conditions. Per Le...
The ionic product of water varies with temperature, and its value is 1.0 x 10−14 at standard experimental conditions. Per Le...
1.5K


