New Feature to Improve the Interpretation of Infrared and Raman Spectra

Bio-Rad Laboratories, Inc. announces a new feature to improve the interpretation of infrared (IR) and Raman spectra in version 8.3 of its award–winning KnowItAll® software.

The latest KnowItAll release highlights a major addition to the AnalyzeIt™ spectral interpretation applications for IR, Raman, and IR Polymer compounds. With this release, users can now improve spectral interpretations by building knowledgebase of functional groups and corresponding bands from their own data to use in conjunction with KnowItAll's built-in knowledgebase.

"This new feature will ensure that users can obtain the best spectral interpretation possible for unknown samples using IR or Raman spectroscopy," explained Gregory M. Banik, Ph.D., General Manager, Bio-Rad Informatics. "It is particularly useful to those in the polymer and other industries where the compounds analyzed are proprietary ones whose functional groups may not be included in the commercial KnowItAll knowledgebases. By building an additional knowledgebase with an organization's own functional group moieties, the interpretation becomes as precise as it can be for unique compounds."

About KnowItAll's AnalyzeIt Application for Spectral Interpretation
AnalyzeIt helps chemists interpret the spectra of chemical compounds. The researcher begins the spectral interpretation by loading an unknown spectrum and clicking on a peak of interest. AnalyzeIt then compares this peak to its knowledgebases of likely functional groups occurring at that peak position. The researcher can then visually compare the regions of all peaks associated with each proposed functional group to their unknown spectrum and evaluate how well they match. The user can then recursively build an interpretation profile for that compound by examining additional peaks and tagging the most likely functional group candidates that best describe the compound.

About KnowItAll Informatics Software
Bio-Rad's KnowItAll Informatics System is a fully integrated chemistry software and database package that provides scientific researchers multiple tools, including database building and management, search, analysis, structure drawing, and reporting all within a single user interface. The company's award-winning KnowItAll Informatics System offers fully flexible and expandable solutions for Infrared (IR), Raman, Near IR (NIR), Nuclear Magnetic Resonance (NMR), Mass Spectrometry (MS), Ultraviolet-Visible (UV-Vis) spectroscopy, and chromatography. Other solutions include chemometrics, metabolomics, and in silico ADME/Tox prediction.