NMR Solvent Identification via Splitting Analysis

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

Current NMR measurement apparatuses require manual user input to identify solvents, leading to user burden and potential erroneous settings, as they lack automated and precise methods for solvent identification based on splitting information due to the Zeeman effect.

Innovation Solution

An NMR measurement apparatus comprising an acquisition unit, an analyzer, and an identifier that acquires and analyzes NMR spectra to identify splitting information, specifically the number of splits and splitting intervals, to automatically and precisely identify solvents, independent of the static magnetic field intensity.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of operation

If manual user input is used to identify solvents, then the apparatus can operate with simple hardware, but user burden increases and erroneous settings may occur

Engineering Contradiction:
Improveuser burdenVSAvoidapparatus complexity
Core Design Contradiction:
Ease of operationVSDevice complexity

Solution Approach 1:

The NMR measurement apparatus automatically identifies the solvent type by analyzing the NMR spectrum and splitting information without requiring manual user input. The system performs self-service by autonomously determining the solvent based on the characteristic splitting patterns observed in the NMR spectrum, thereby reducing user burden and preventing erroneous settings.

Inventive Principle:
Principle #25Self-service

Solution Approach 2:

The patent replaces the manual mechanical process of solvent identification with an automated spectral analysis system. The NMR spectrum acquisition and analysis unit automatically processes the spectral data to identify splitting information and determine solvent type, substituting manual operation with automated electronic analysis.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

2Measurement precision

If manual solvent identification is used, then the apparatus structure remains simple, but measurement accuracy may be compromised due to erroneous settings

Engineering Contradiction:
Improvesolvent identification accuracyVSAvoidapparatus complexity
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The system uses feedback from the NMR spectrum analysis to automatically adjust and identify the solvent type. By analyzing the splitting information and comparing it with reference data, the system provides feedback-based automated solvent identification, ensuring measurement accuracy without requiring complex manual intervention procedures.

Inventive Principle:
Principle #23Feedback

Solution Approach 2:

The patent replaces manual solvent identification processes with automated spectral analysis. The NMR measurement apparatus automatically processes the spectrum, identifies splitting patterns, and determines solvent type through electronic analysis, thereby improving measurement accuracy while maintaining relatively simple apparatus structure.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

3Reliability

If automated solvent identification based on splitting information is implemented, then user error is reduced, but the apparatus requires more complex analysis capabilities

Engineering Contradiction:
Improvesolvent identification reliabilityVSAvoidanalysis unit complexity
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent replaces manual solvent identification with automated spectral analysis using the NMR measurement apparatus. The analysis unit processes the NMR spectrum to identify splitting information and automatically determines solvent type, improving reliability by eliminating human error while using standard NMR analysis capabilities.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The NMR measurement apparatus performs self-service by automatically analyzing its own spectral data to identify the solvent type. The system uses its built-in analysis capabilities to process the NMR spectrum, extract splitting information, and determine solvent identity without external intervention, thereby improving reliability.

Inventive Principle:
Principle #25Self-service

4Extent of automation

If conventional solvent identification methods are used, then the apparatus can operate without advanced analysis features, but automatic solvent identification is not achieved

Engineering Contradiction:
Improvesolvent identification automationVSAvoidapparatus complexity
Core Design Contradiction:
Extent of automationVSDevice complexity

Solution Approach 1:

The patent replaces conventional manual solvent identification methods with automated spectral analysis. The NMR measurement apparatus automatically acquires the NMR spectrum, analyzes splitting information, and identifies the solvent type through electronic processing, achieving full automation of the solvent identification process.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The system achieves self-service by automatically performing solvent identification through spectral analysis. The NMR measurement apparatus autonomously processes the acquired spectrum, extracts splitting information, and determines solvent type without requiring manual user input or external analysis tools.

Inventive Principle:
Principle #25Self-service

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

Enables automatic and precise solvent identification in NMR measurements, reducing user error and improving measurement accuracy by utilizing intrinsic solvent-specific splitting information, even before NMR locking, and allowing for accurate reference frequency management and shimming adjustments.

Implementation Method 1

splitting information due to the Zeeman effect; that is, splitting information, for identifying the solvent

Methodology Applied
Scientific EffectZeeman effect: Zeeman Effect

Data Source

PatentEP4134694B1NMR measurement apparatus, and method of identifying solvent
Publication Date: 2024.07.03 JEOL LTD
  • EP4134694B1 patent drawingFigure 1
  • EP4134694B1 patent drawingFigure 2
  • EP4134694B1 patent drawingFigure 3

AI summary

An NMR spectrum is acquired from a nucleus of interest 13C in a solvent included in a sample solution. A spectrum analyzer (50) analyzes a number of splits, a splitting interval, a number of signals, and a signal interval based on the NMR spectrum. Based on these characteristic quantities, an identifier (54) identifies the solvent. In another configuration, a plurality of NMR spectra acquired from a plurality of nuclei of interest included in the solvent may be analyzed.