System and method for fiber array spectral translator based polymorph screening
First Claim
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1. A method for polymorph screening, comprising:
- illuminating a sample using widefield illumination to thereby produce scattered photons;
receiving said scattered photons substantially simultaneously from a plurality of spatial locations of said sample using a fiber array spectral translator and directing said scattered photons to a photon detector;
detecting said scattered photons and providing therefrom plural spectra of said sample; and
applying a spectral unmixing algorithm to said plural spectra to thereby determine the presence of one or more polymorphs in said sample.
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Abstract
The present disclosure describes methods and systems that combine Raman spectroscopy performed in a manner that utilizes one or more of widefield illumination, simultaneous multipoint Raman spectral acquisition, and spectral unmixing for the purpose of high throughput polymorph screening. Features of this methodology include: (a) high throughput polymorph screening to reduce crystal orientation effects on Raman spectra; (b) in-well multi-polymorph screening using increased statistical sampling; and (c) multipoint spectral sampling to enable spectral unmixing.
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Citations
73 Claims
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1. A method for polymorph screening, comprising:
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illuminating a sample using widefield illumination to thereby produce scattered photons; receiving said scattered photons substantially simultaneously from a plurality of spatial locations of said sample using a fiber array spectral translator and directing said scattered photons to a photon detector; detecting said scattered photons and providing therefrom plural spectra of said sample; and applying a spectral unmixing algorithm to said plural spectra to thereby determine the presence of one or more polymorphs in said sample. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10)
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11. A system for polymorph screening, comprising:
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a photon source for illuminating a sample using widefield illumination to thereby produce scattered photons; a fiber array spectral translator for receiving said scattered photons substantially simultaneously from a plurality of spatial locations of said sample and directing said scattered photons to a photon detector; said photon detector for detecting said scattered photons and providing therefrom plural spectra of said sample; and a microprocessor unit for applying a spectral unmixing algorithm to said plural spectra to thereby determine the presence of one or more polymorphs in said sample. - View Dependent Claims (12, 13, 14, 15, 16, 17, 18, 19, 20, 21)
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22. A method for polymorph screening, comprising:
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illuminating a sample with first photons in a widefield illumination manner to thereby produce second photons, wherein said sample comprises a polymorph of a compound wherein first ones of said polymorph are disposed in a first orientation and second ones of said polymorph are disposed in a second orientation, and wherein first ones of said second photons are scattered from said first oriented polymorphs and second ones of said second photons are scattered from said second oriented polymorphs; receiving said second photons at a proximal end of a fiber array spectral translator comprising plural fibers wherein each fiber of said fiber array spectral translator is associated with a different predetermined region of said sample; delivering said second photons at a distal end of said fiber array spectral translator to a photon detector; detecting said second photons and providing therefrom plural spectra comprising a first spectrum of said first oriented polymorphs and a second spectrum of said second oriented polymorphs; and applying a spectral unmixing algorithm to said plural spectra to thereby determine a quantity of said first and second oriented polymorphs. - View Dependent Claims (23, 24, 25, 26, 27, 28, 29, 30, 31, 32)
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33. A system for polymorph screening, comprising:
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a photon source for illuminating a sample with first photons in a widefield illumination manner to thereby produce second photons, wherein said sample comprises a polymorph of a compound wherein first ones of said polymorph are disposed in a first orientation and second ones of said polymorph are disposed in a second orientation, and wherein first ones of said second photons are scattered from said first oriented polymorphs and second ones of said second photons are scattered from said second oriented polymorphs; a fiber array spectral translator comprising plural fibers for receiving said second photons at a proximal end wherein each fiber of said fiber array spectral translator is associated with a different predetermined region of said sample, and for delivering said second photons at a distal end to a photon detector; said photon detector for detecting said second photons and providing therefrom plural spectra comprising a first spectrum of said first oriented polymorphs and a second spectrum of said second oriented polymorphs; and a microprocessor unit for applying a spectral unmixing algorithm to said plural spectra to thereby determine a quantity of said first and second oriented polymorphs. - View Dependent Claims (34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44)
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45. A method for polymorph screening, comprising:
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illuminating a sample with first photons in a widefield illumination manner to thereby produce second photons, wherein said sample comprises a plurality of polymorphs of a compound wherein first ones of said second photons are scattered from a first polymorph and second ones of said second photons are scattered from a second polymorph; receiving said second photons at a proximal end of a fiber array spectral translator comprising plural fibers wherein each fiber of said fiber array spectral translator is associated with a different predetermined region of said sample; delivering said second photons at a distal end of said fiber array spectral translator to a photon detector; detecting said second photons and providing therefrom plural spectra comprising a first spectrum of said first polymorph and a second spectrum of said second polymorph; and applying a spectral unmixing algorithm to said plural spectra to thereby determine a quantity of each of said first and second polymorphs. - View Dependent Claims (46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58)
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59. A system for polymorph screening, comprising:
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a photon source for illuminating a sample with first photons in a widefield illumination manner to thereby produce second photons, wherein said sample comprises a plurality of polymorphs of a compound wherein first ones of said second photons are scattered from a first polymorph and second ones of said second photons are scattered from a second polymorph; a fiber array spectral translator comprising plural fibers for receiving said second photons at a proximal end wherein each fiber of said fiber array spectral translator is associated with a different predetermined region of said sample, and for delivering said second photons at a distal end to a photon detector; said photon detector for detecting said second photons and providing therefrom plural spectra comprising a first spectrum of said first polymorph and a second spectrum of said second polymorph; and a microprocessor unit for applying a spectral unmixing algorithm to said plural spectra to thereby determine a quantity of each of said first and second polymorphs. - View Dependent Claims (60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73)
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Specification