13C-Labelled Chlorinated Paraffins for Accurate CP Analysis
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Solution Overview
Problem
The analysis of chlorinated paraffins (CPs) is hindered by the lack of suitable standards and matrix reference materials, which is crucial for accurate determination and monitoring of these chemicals in environmental and food matrices.
Innovation Solution
The development of 13C-labelled chlorinated paraffins, which can be used as internal standards and reference materials, facilitates accurate analysis and determination of CPs through novel preparation processes that exclude geminal and terminal chlorine atoms.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional chlorinated paraffins are used for analysis, then the analysis can be performed, but the accuracy and reliability are compromised due to lack of suitable standards
Solution Approach 1:
The patent applies parameter changes by introducing 13C isotopic labeling to chlorinated paraffins. This modifies the molecular mass parameter of the standards, enabling their differentiation from environmental samples through mass spectrometry. The isotopic labeling creates a distinct mass signature that allows accurate quantification while maintaining chemical similarity to the analytes being measured.
Solution Approach 2:
The patent creates copies of chlorinated paraffin molecules with modified isotopic composition. By synthesizing chlorinated paraffins containing 13C instead of 12C, the invention produces standards that replicate the chemical structure and properties of environmental CPs but with distinguishable mass characteristics. These isotopic copies serve as reliable internal standards for accurate measurement.
2Measurement precision
If 13C-labelled chlorinated paraffins are synthesized through conventional chlorination methods, then the labeling can be achieved, but geminal and terminal chlorine atoms are formed which interfere with analysis
Solution Approach 1:
The patent extracts and removes the harmful geminal and terminal chlorine atoms from the molecular structure. By selecting specific positions for 13C labeling in the alkane chain and controlling the chlorination process, the invention avoids formation of chlorine atoms at terminal and geminal positions. This selective approach eliminates the interfering chlorine atoms while preserving the necessary chlorinated structure for analytical applications.
Solution Approach 2:
The patent applies local quality by introducing 13C labeling at specific localized positions within the alkane chain rather than throughout the entire molecule. This selective isotopic labeling at particular carbon positions allows the standard to have distinguishable mass characteristics while avoiding the formation of harmful chlorine configurations at terminal and geminal positions.
3Manufacturing precision
If existing chlorinated paraffin standards are used, then the analysis process can be completed, but the manufacturing precision and purity are insufficient for accurate quantification
Solution Approach 1:
The patent performs preliminary action by synthesizing 13C-labelled chlorinated paraffins with controlled structure and composition before they can be contaminated or degraded. The isotopic labeling is introduced during the synthesis process itself, ensuring high purity and defined composition from the outset. This preliminary preparation of pure, labeled standards eliminates the need for complex purification steps later and ensures consistent quality.
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
The use of 13C-labelled chlorinated paraffins as standards and reference materials enhances the accuracy and reliability of CP analysis, addressing the limitations of existing methods and enabling precise quantification and monitoring of these chemicals.
Implementation Method 1
13C-labelled chlorinated paraffins and their preparation
Implementation Method 2
CPs are analysed by GC coupled to either a high-resolution or low-resolution MS (HRMS or LRMS)
Implementation Method 3
The industrial chemicals of CPs are produced by chlorination of C10-C30 n-alkanes using molecular chlorine
Data Source
AI summary
The present invention is directed to 13C-labelled chlorinated paraffins, preferably having neither geminal nor terminal chlorine atoms in their structure, processes for their preparation as well as their uses.