Appendix IX: Software

May 01, 2014
By Spectroscopy Editors
Volume 29, Issue 5

Manufacturer: Advanced Chemistry Development, Inc. (ACD Labs)
Product name: Impurity Resolution Management (IRM)
Database manager
New this year: IRM is new software building on the Spectrus platform
Primary features: Allows groups involved in drug development and CMC (chemistry manufacturing controls) to share information and collaborate easily. Available as separate product.
Suggested applications: Identify and characterize impurities for resolution and reporting
Primary benefits: Enables organizations to manage and share analytical and chemical knowledge in chemical context. Spectroscopists can unify disparate multi-technique analytical data to make faster, more confident decisions. All relevant information is available in a central searchable respository.
Unique features: IRM provides tools for teams comosed of process chemists, method development scientists, and analytical chemists; to enable faster and easier separation and identification of impurities with confidence.

Manufacturer: Bio-Rad Laboratories, Inc.
Product name: KnowItAll ATR/IR ID Expert; KnowItAll Raman ID Expert
Software for Raman and IR analysis
New this year: KnowItAll ATR/IR ID Expert and Raman ID Expert are completely new technologies that identify unknown infrared and Raman spectra.
Used for: Lab analysis
Available as separate product.
Suggested applications: Identification of unknown IR and Raman Spectra. With ATR/IR ID Expert and Raman ID Expert, the user simply opens an unknown spectrum and the software automatically performs single and multiple component searches as well as functional group analyses simultaneously and summarizes the results on a single screen.
Unique features: Spectral intelligence

Manufacturer: Bio-Rad Laboratories, Inc.
Product name: USP Spectral Library™
New this year: This is a completely new product; beta version released at Pittcon. The USP Spectral Library is a new interactive, authoritative, and comprehensive collection of spectral information on food and drug quality.
Used for: Lab analysis
Suggested applications: quality standards development, rapid screening for counterfeit and substandard foods, medicines, and dietary supplements, identification of raw materials and finished products
Benefits: Complies with 21 CFR Part 11; shows results of the QC comparison quantitatively and qualitatively; gives clear indicators as to whether the sample spectrum passes or fails the QC comparison; validates the sample QC comparison against the entire USP Spectral Library; provides access to USP monographs, certificates, and SDSs; displays the sample and USP reference spectra simultaneously; generates digitally signed reports. Manufacturers will be able to use the USP Spectral Library on the KnowItAll platform for raw material identification during routine quality control measures to confirm the identity of active pharmaceutical ingredients (APIs) and excipients used in their products.
Unique features: Spectral "fingerprints" characteristic of physical and chemical properties of reference standards, finished products, and raw materials, Independently validated by comparison against the measured spectra of the same compound by a third party as well, overseen by a global consortium of experts from regulatory, pharmacopeial, and industrial sectors. Available as separate product; 21CFR11 compliant.

Manufacturer: Horiba Scientific
Product name: ParticleFinder
Automated particle detection/analysis
New this year: New software module provides automated particle location, shape/size characterization, and Raman chemical identification.
Used for: Lab analysis
Suggested applications: Pharmaceutical, mining/geology, environment, contaminant ID
Primary benefits: Allows complete particle characterization on a single automated microscope platform.
Unique features: Compatible with all Horiba Scientific Raman microscopes. Available as separate product, 21CFR11 compliant, cGMP compliant.

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