Thermo Electron Scientific Instruments Corporation

Federico Izzia

Alexander Grenov

Michael S Bradley

Francis Jerome Deck

John Magie Coffin

William Joseph McCarthy

Kathleen J Schulting

Garry L Ritter

Kathleen A Larson

Koichi Nishikida

Gary L Ritter

Alexander I Grenov

William J Mccarthy

A novel emission and transmission optical spectrometer is introduced herein, which is capable of optically interrogating solid or liquid samples of organic, inorganic or polymeric chemistry, for pharmaceutical research, forensic and liquid analyses, used for identification, purity check, and/or structural study of chemicals. The beneficial aspects of the system are a single sample compartment as confined within the walls of the spectrometer housing, a more compact accessory, and the capability of making both emission (e.g., Raman and Fluorescence) and Infrared (IR, NIR) transmission measurements at designed sample points.

Emission and transmission optical spectrometer

The present application is directed to a novel spectrometer configured with a built-in attenuated total reflectance (ATR) and accessory compartment. In particular, an arranged sample analysis compartment provided by the spectrometer performs attenuated total reflectance analysis of a sample and includes a crystal, a tip configured to press the sample against the crystal, and a detector configured to detect light after reflection within the crystal. As part of the configuration, an actuator moves an optical element between a first position wherein the optical element receives modulated light and reflects the modulated light toward the crystal and a second position wherein the optical element does not receive the modulated light so as to instead allow an additionally configured optical component to receive the modulated light.

Spectrometer with built-in ATR and accessory compartment

A method and corresponding apparatus provide correction of chemical images collected with a germanium hemisphere ATR microscope. A model is developed for rays passing through a simulated germanium (Ge) hemisphere attenuated total reflection (ATR) microscope. The model determines a data set for rays reaching the detector plane. Movement of the hemisphere is simulated along a first axis between each data set determination. A calculated background spectrum is produced by multiplying the percentage of rays by a background spectrum to produce a calculated background spectrum. A real Ge hemisphere ATR microscope having parameters that substantially match those of the simulated Ge hemisphere microscope is then used to collect a chemical image of a sample that is in contact with the Ge hemisphere. The collected image is then corrected to produce a corrected chemical image.

Correction of chemical image collected using ATR through germanium hemisphere

An unknown spectrum obtained from infrared or other spectroscopy can be compared to spectra in a reference library to find the best matches. The best match spectra can then each in turn be combined with the reference spectra, with the combinations also being screened for best matches versus the unknown spectrum. These resulting best matches can then also undergo the foregoing combination and comparison steps. The process can repeat in this manner until an appropriate stopping point is reached, for example, when a desired number of best matches are identified, when some predetermined number of iterations has been performed, etc. This methodology is able to return best-match spectra (and combinations of spectra) with far fewer computational steps and greater speed than if all possible combinations of reference spectra are considered.

Efficient spectral matching, particularly for multicomponent spectra

In a spectroscopic microscope, a video image of a specimen is analyzed to identify regions having different appearances, and thus presumptively different properties. The sizes and locations of the identified regions are then used to position the specimen to align each region with an aperture, and to set the aperture to a size appropriate for collecting a spectrum from the region in question. The spectra can then be analyzed to identify the substances present within each region of the specimen. Information on the identified substances can then be presented to the user along with the image of the specimen.

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Middleton, WI, United States of America

Federico Izzia