Multinuclear NMR Standard Molecule for Simultaneous Analysis
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Solution Overview
Problem
Current NMR spectroscopy methods require multiple standards for analyzing different types of nuclei, which is costly and complex, and existing reference substances have long spin-lattice relaxation times, limiting analysis of small samples and introducing inaccuracies.
Innovation Solution
Development of multinuclear standards containing nitrogen, fluorine, and phosphorus atoms, specifically phosphoric and phosphonic esters, which can be used as internal standards in 1H, 13C, 15N, 19F, and 31P NMR spectroscopy, reducing the need for multiple standards and minimizing spin-lattice relaxation time issues.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If multiple separate standards are used for analyzing different types of nuclei (1H, 13C, 15N, 19F, 31P), then comprehensive nuclear analysis is achieved, but device complexity and cost increase
Solution Approach 1:
The patent combines multiple nuclear types (1H, 13C, 15N, 19F, 31P) into a single multifunctional standard molecule. The standard contains all five nuclear types in one molecular structure, allowing simultaneous analysis of all nuclei using one reference substance instead of requiring five separate standards, thereby reducing complexity while maintaining comprehensive analysis capability
Solution Approach 2:
The invented standard molecule serves multiple functions simultaneously: it provides reference signals for 1H, 13C, 15N, 19F, and 31P NMR spectroscopy. This universal standard can be used for qualitative and quantitative analysis across all five nuclear types, eliminating the need for multiple specialized standards and simplifying the analytical workflow
2Reliability
If existing reference substances are used, then NMR analysis is performed, but long spin-lattice relaxation times limit analysis of small samples and introduce inaccuracies
Solution Approach 1:
The patent modifies molecular parameters by introducing specific electron-withdrawing groups (CF3, NO2, halogens) and aromatic systems to alter the spin-lattice relaxation times of the standard's nuclei. These structural changes result in shortened relaxation times compared to conventional standards, enabling faster repetition of NMR experiments and more accurate quantitative analysis of small samples
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
These standards allow for accurate, quantitative analysis of small amounts of various analytes without the need for multiple standards, ensuring reliable results by integrating a system suitability test for spin-lattice relaxation times, thus enhancing the efficiency and accuracy of NMR spectroscopy.
Implementation Method 1
If then, in addition to the applied static magnetic field, a high-frequency alternating electromagnetic field is generated, and if its energy corresponds to the energy difference of two eigenstates, then a part of the energy of the alternating field is absorbed by the sample—this can be captured by measuring technology and displayed graphically. What is being captured in this case specifically is the frequency of the high-frequency alternating electromagnetic field at which the resonance condition of the atomic nucleus is fulfilled—i.e., the nuclear resonance frequency.
Implementation Method 2
The nuclear resonance frequencies determined provide information about the structure of the organic compound under analysis, through the chemical shift effect. This effect describes the influence of adjacent atoms or groups on the electron shell which surrounds the atomic nucleus under analysis, and which shields it from the external magnetic field.
Implementation Method 3
Additional information is obtained through spin-spin couplings of adjacent atomic nuclei, whereby the signals displayed in the spectrum are split up into groups of two or more signals.
Data Source
AI summary
Organic compounds which contain nitrogen, fluorine, and phosphorus atoms together with carbon atoms and hydrogen atoms and which can be used as a multi-element standard for 1H—, 13C—, 15N—, 19F—, and 31P nuclear magnetic resonance spectroscopy. Also, a nuclear magnetic resonance spectroscopy method, preferably a quantitative nuclear magnetic resonance spectroscopy method, using said compounds and a method for qualitatively and/or quantitatively determining an analyte using such a nuclear magnetic resonance spectroscopy method.