Liquid-Liquid Extraction Profiling for Unknown Solute Distribution
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Solution Overview
Problem
Existing non-targeted methods for characterizing complex and unknown solution compositions are difficult to implement and insufficient, particularly when dealing with solutions containing solutes from bacterial, chemical, or radiolytic degradation of organic compounds.
Innovation Solution
A non-targeted characterization process involving a sequence of liquid-liquid extractions between immiscible aqueous and organic phases, followed by measurements and mathematical processing to determine solute distribution based on hydrophilicity/lipophilicity, without identifying the solutes.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If non-targeted methods are used to detect a wide range of solutes including unknown ones, then the detection scope is improved, but the implementation difficulty increases and the methods remain insufficient for particularly complex unknown compositions
Solution Approach 1:
The patent applies segmentation by dividing the complex solution into multiple fractions through sequential liquid-liquid extraction with increasing polarity. Each extraction step separates solutes into different polarity-based fractions, transforming an unmanageable complex mixture into separable segments that can be individually characterized, thereby maintaining broad detection capability while simplifying the analysis process
Solution Approach 2:
The patent changes the parameter of solvent polarity systematically across multiple extraction steps. By using solvents with progressively increasing polarity (e.g., from non-polar to polar), the method separates solutes based on their polarity characteristics, enabling comprehensive characterization of complex mixtures through parameter-based fractionation rather than direct detection of all components simultaneously
2Measurement precision
If targeted methods are used to detect known solutes, then the detection accuracy for specific solutes is improved, but the ability to detect unknown solutes deteriorates
Solution Approach 1:
The patent applies the extraction principle by physically separating solutes from the complex matrix through liquid-liquid extraction. This isolates target analytes from interfering substances, improving detection accuracy for known solutes while simultaneously grouping unknown solutes by polarity, thus maintaining versatility without sacrificing precision
Solution Approach 2:
The patent uses polarity-based fractionation as an intermediary step between sample preparation and detection. This intermediary separation process organizes complex mixtures into manageable polarity-based groups, enabling both accurate targeted detection of known solutes and effective non-targeted detection of unknown solutes within each fraction
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
Provides a simple and effective method to characterize complex solutions of unknown composition by determining solute distribution and properties, such as solubility and toxicity, without needing to identify the solutes present.
Implementation Method 1
the mixing of a sample of the solution S 0 with a volume of an organic solution S org or aqueous solution S aq immiscible with the solution S 0 to obtain, after separation of the mixture into two phases
Implementation Method 2
calculate theoretical vectors V theor(D k ) for y values D k of partition coefficient
Data Source
Figure 1A~1B
Figure 3
Figure 4
AI summary
The invention relates to a method for characterizing a solution S0 comprising a plurality of solutes, which includes at least the steps of: - subjecting the solution S0 to a sequence of N successive ranks of liquid-liquid extractions, this sequence leading to a total of [2(N+1)-1] different phases of which 2N phases are from the last rank N of partitions, - acquiring experimental data by measuring an extensive and conservative quantity X in the 2N phases from the last rank N of partitions of said sequence, and - subjecting this experimental data to a mathematical treatment enabling the determination of the distribution of the solutes of the solution S0, which contribute to the values of the quantity X obtained experimentally, as a function of different hydrophilicity/lipophilicity values.Applications: characterization of agricultural or industrial effluents for subsequent management, evaluation of the quality of natural or industrial products, evaluation of water quality, evaluation of the degree of purity of synthetic substances, etc.