Baseline-Free Absorption Spectroscopy via m-FID Signal Weighting

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Solution Overview

Problem

Conventional absorption spectroscopy techniques face challenges in accurately measuring molecular absorption signatures due to baseline intensity fluctuations, which are influenced by various factors such as light source power, detector sensitivity, and scatter, leading to complex experimental designs and data processing.

Innovation Solution

The method involves applying a logarithmic function to the measured transmission spectrum, followed by an inverse Fourier transform to generate a modified free induction decay (m-FID) signal, and weighting this signal with a specific function to suppress baseline effects, resulting in a baseline-suppressed m-FID signal.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If conventional absorption spectroscopy techniques are used to measure molecular absorption signatures, then quantitative measurement of sample properties can be obtained, but baseline intensity fluctuations from light source power variations, detector sensitivity changes, and scatter effects significantly degrade measurement accuracy

Engineering Contradiction:
Improvemeasurement accuracy of molecular absorption signaturesVSAvoidbaseline intensity fluctuations
Core Design Contradiction:
Measurement precisionVSObject-affected harmful factors

Solution Approach 1:

The patent segments the absorption spectrum into multiple wavelength regions, including reference wavelengths that are not absorbed by the sample. By comparing absorption signals across these segmented regions, the method isolates and eliminates baseline fluctuations from light source power variations and detector sensitivity changes, thereby improving measurement accuracy without requiring complex experimental setups

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent introduces ratioing algorithms as an intermediary mathematical operation between the raw transmission spectrum and the final absorption measurement. By forming ratios of absorption signals at different wavelengths or comparing sample wavelengths to reference wavelengths, the method mediates the elimination of common-mode baseline effects while preserving the molecular absorption information

Inventive Principle:
Principle #24Intermediary (Mediator)

2Measurement precision

If conventional techniques are used to mitigate baseline effects in absorption spectra, then measurement accuracy can be improved, but experimental design and data processing become significantly more complicated

Engineering Contradiction:
Improveaccuracy of absorption measurementsVSAvoidcomplexity of experimental design and data processing
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The patent employs self-service through automated ratioing algorithms that automatically reference each measurement wavelength to a corresponding reference wavelength or to the average of multiple reference wavelengths. This self-referencing approach eliminates the need for separate baseline measurement procedures or complex correction algorithms, thereby improving accuracy while maintaining simplicity in both experimental design and data processing

Inventive Principle:
Principle #25Self-service

Solution Approach 2:

The patent creates a universal data processing framework where the same ratioing algorithm can be applied regardless of the specific light source, detector, or sample type. By establishing a general mathematical relationship that accounts for baseline effects through wavelength ratios, the method provides a multi-functional solution that works across different experimental configurations without requiring technique-specific customization

Inventive Principle:
Principle #6Universality (Multi-functionality)

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

This approach effectively reduces baseline fluctuations, allowing for accurate quantitative measurements of sample properties by temporally separating molecular responses from baseline contributions, thereby simplifying data processing and improving measurement accuracy.

Implementation Method 1

applying a logarithm function to a measured transmission spectrum of a sample to form an intermediate spectrum

Methodology Applied
Scientific EffectLogarithmic transformation:

Implementation Method 2

applying an inverse Fourier transform to the intermediate spectrum to generate a modified free induction decay (m-FID) signal

Methodology Applied
Scientific EffectFourier transform:

Implementation Method 3

weighting the m-FID signal with a weighting function to suppress at least an early temporal portion of the m-FID signal subject to baseline effects

Methodology Applied
Scientific EffectSignal weighting and temporal filtering:

Data Source

PatentUS11614402B2Baseline-free quantitative absorption spectroscopy
Publication Date: 2023.03.28 THE REGENTS OF THE UNIVERSITY OF COLORADO
  • US11614402B2 patent drawing
  • US11614402B2 patent drawing
  • US11614402B2 patent drawing

AI summary

A system for recording transmission spectra of a sample with a spectrometer that produces baseline-free molecular response signal. A method for producing baseline-free signals includes applying a logarithmic function to a measured transmission spectrum to form an intermediate spectrum. Applying an inverse Fourier transform to the intermediate spectrum generates a modified free-induction-decay (m-FID) signal, which allows for the separation of molecular absorption features from baseline effects present in the m-FID signal. A weighting function is then applied that suppresses temporal portions of the m-FID signal that correspond to sources of baseline fluctuations as well as periodic effects (e.g. etalons). The method generates a baseline-suppressed m-FID signal that is converted to an absorption spectrum, which exhibits suppressed contributions from baseline fluctuations and periodic effects. When this method is combined with a spectral fitting model it generates measurements of physical properties of the sample without requiring correction for the light source intensity.