FAST Spectroscopic System for Polymorph Identification
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Solution Overview
Problem
Current spectroscopic methods are inefficient in rapidly detecting and identifying polymorphs of compounds, which can be hazardous, due to their inability to simultaneously acquire and analyze full-spectral images of samples containing multiple polymorphs.
Innovation Solution
A fiber array spectral translator (FAST) system coupled with a photon detector and a microprocessor, which allows for the acquisition of hundreds to thousands of full-spectral images simultaneously, using linear spectral unmixing algorithms to determine the presence of polymorphs by comparing acquired spectra with pre-stored library spectra and calculating a goodness-of-fit factor.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If conventional spectroscopic methods are used to detect polymorphs, then the analysis can be performed with simple instrumentation, but the data acquisition rate is slow and cannot simultaneously acquire full-spectral images of multiple samples
Solution Approach 1:
The system divides the detection task into multiple spatial channels using a two-dimensional array of optical fibers, where each fiber or fiber group independently collects spectral information from a specific spatial location. This segmentation enables simultaneous acquisition of multiple spectra across the sample array, dramatically increasing productivity while keeping each individual detection channel relatively simple
Solution Approach 2:
The invention transitions from conventional one-dimensional spectral analysis to two-dimensional spatial-spectral imaging by arranging optical fibers in a two-dimensional array that corresponds to the sample layout. This dimensional expansion allows parallel acquisition of full-spectral images across multiple sample positions, achieving high-speed detection without proportionally increasing instrumental complexity
2Productivity
If a fiber array spectral translator is used to simultaneously acquire hundreds to thousands of full spectral images, then the data acquisition rate increases dramatically, but the complexity of the system increases
Solution Approach 1:
The fiber array spectral translator serves multiple functions simultaneously: it acts as a spatial demultiplexer to distribute light from different sample locations to different detector elements, a spectral disperser to separate wavelengths, and a parallel acquisition system to collect full spectra from multiple positions at once. This multi-functionality consolidates what would otherwise require multiple separate instruments into a single integrated system, increasing productivity without proportional increases in overall system complexity
3Measurement precision
If spectral unmixing is performed to identify polymorphs in mixtures, then the detection accuracy improves, but the data processing complexity increases
Solution Approach 1:
The system performs preliminary action by pre-acquiring and storing reference spectra of pure polymorph forms in a database before analyzing mixture samples. During polymorph identification, the acquired mixture spectra are compared against these pre-stored references using unmixing algorithms. This preliminary preparation of reference data simplifies the actual analysis process and improves measurement precision by providing known standards for comparison, while keeping the processing complexity manageable through systematic algorithmic approaches
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 rapid and accurate identification of polymorphs in samples, enhancing safety by dramatically increasing data acquisition rates and reducing instrumentation costs, while providing high spatial resolution and expanded spectral range.
Implementation Method 1
A fiber array spectral translator (FAST) system when used in conjunction with a photon detector allows massively parallel acquisition of full-spectral images
Implementation Method 2
The one-dimensional fiber stack may be operatively coupled to an imaging spectrograph of a photon detector, such as a charge-coupled device so as to apply the photons received at the two-dimensional end of the FAST to the detector rows of the photon detector
Data Source
AI summary
The disclosure relates generally to methods and apparatus for using a fiber array spectral translator-based (“FAST”) spectroscopic system for performing spectral unmixing of a mixture containing multiple polymorphs. In an embodiment, a first spectrum of a mixture containing polymorphs of a compound is obtained using a photon detector and a fiber array spectral translator having plural fibers. A set of second spectra is provided where each spectrum of the set of second spectra may be representative of a different polymorph of the compound. The first spectrum and the set of second spectra may be compared, and based on the comparison, the presence of one or more polymorphs in the mixture may be determined.