Apparatus and method for high-throughput preparation and spectroscopic classification and characterization of compositions
a composition and high-throughput technology, applied in the direction of optical radiation measurement, sequential/parallele process reactions, special data processing applications, etc., can solve the problems of large number of pre-selected samples that require continuing analysis, more difficult to develop into products, and need to inspect or otherwise analyze hundreds or thousands of samples
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example 1
5.1. Example 1
Raman Data Acquisition System
[0195] An automated robotic mechanism has been constructed and integrated with a microscope to facilitate selecting the sample containers (e.g., tubes) from the blocks and positioning the containers under the microscope objective for spectral acquisition. The spectral data collection system comprises a dispersive Raman microscope (Almega dispersive Raman by Thermo Nicolet, 5225 Verona Road, Madison, Wis. 53711, USA), which is a research grade dispersive Raman instrument, combining a confocal Raman microscope and a versatile macro sampling Raman spectrometer. The highly automatable and versatile system offers multiple laser options under software automation, for optimized sensitivity, spatial resolution, and confocal operation. The Almega dispersive Raman spectrometer is capable of housing up to two lasers. Selection of the lasers and control of laser power is accomplished through software. In addition, the appropriate Rayleigh rejection fil...
example 2
5.2. Example 2
Data Collection and Binning
[0203] The effectiveness of binning was demonstrated using two test sets that included the Raman spectra of a polymorphic material and a material with two hydration states. First, the authenticity of the samples was validated. Next, Raman spectra for each sample under varying acquisition conditions were collected. The spectra were then filtered and binned using the previously described algorithms and method. Finally, the results were cross-checked by comparison of the known sample identification to the bin / cluster assignment. Each of these steps is outlined below.
[0204] Authentic polymorphic forms (polymorphs) and anhydrate / hydrate forms for a given material each exhibit a unique x-ray powder diffraction pattern and melting transition. Such criteria were deemed sufficient evidence to verify authenticity of each sample. Representatives of each of the forms of sample sets 1 and 2 were therefore characterized using x-ray diffraction (XRD) and di...
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