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Below is a complete PDF library for Bio-Rad's software and database solutions for spectroscopy (IR, Raman, NIR, NMR, MS, UV-Vis), chemometrics, and metabolomics. Visit the Bio-Rad website for additional product information.

Spectroscopy Database & Software Catalog Spectral Databases KnowItAll Software KnowItAll Training KnowItAll Enterprise Solutions KnowItAll Academic Solutions

Application Notes Articles Posters Installation Guides Chemometrics Metabolomics

Spectroscopy Database & Software Catalog

Bio-Rad is a world leader in spectral data and software. The catalog below provides an entire overview of our spectral database collections of IR, Raman, NIR, NMR, MS, UV-Vis spectra (including Sadtler spectra) and award-winning KnowItAll software for database building, management, search, analysis, prediction, chemometrics, chemical structure drawing, reporting, and more.

• English Catalog
• Catalogue Français
• Deutscher Katalog
• Catálogo em Português
• Catálogo en Español
• Catalogo Italiano
• 中文产品目录 Chinese Catalog
• 日本語カタログ Japanese Catalog

Spectral Databases

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Bio-Rad offers over 1.3 million IR, MS, NMR, NIR, Raman, and UV-Vis spectra—from pure compounds to a broad range of commercial products. These resources are ideal for the interpretation, verification, and classification of spectra. Bio-Rad's Sadtler spectral libraries are perhaps the most renowned spectroscopy resource today.

Choose from individual collections or comprehensive HaveItAll databases.

KnowItAll Software

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Bio-Rad's award-winning KnowItAll Informatics System offers fully integrated software and/or database desktop solutions that provide scientific researchers multiple tools such as database building, management, mining/search, analysis, prediction, structure drawing, and reporting, all within a single user interface.

Related Keywords: Spectroscopy software, chromatography software, spectral search software, spectra data management, spectral analysis software, spectral identification, spectral classification

KnowItAll Training

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• KnowItAll Training Options
• KnowItAll Demo Movies
• Summer 2011 recorded Webex Presentations (Advanced Searching, Chemometrics, Database Management, Report Templates, Interpretation of Polymers, and more)

KnowItAll Enterprise Solutions

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• KnowItAll - Enterprise Solutions for Spectroscopy
• KnowItAll - Enterprise Solutions for Spectroscopy - an IT Perspective

Related Keywords: spectral data management, build spectra databases, chromatographic data management, spectral information system (SIS)

KnowItAll Academic Solutions

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• KnowItAll U Brochure
• KnowItAll U Brief Overview
• KnowItAll U Chemistry World Software Review
• KnowItAll U Posters
• KnowItAll Academic Edition

ADME/Tox

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• HaveItAll - ADME/Tox Experimental Databases

Chemometrics

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• KnowItAll - AnalyzeIt MVP (Brochure)
• KnowItAll - AnalyzeIt MVP (Brief Overview)
• Chemometric Models in KnowItAll
• Infometrix' Pirouette Features
• Infometrix' Pirouette Specifications

Metabolomics

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• Metabolomics Edition (Brochure)
• Metabolomics Edition (Brief Overview)
• Metabolomics Workflow for NMR

Application Notes

Spectroscopy

• IR Spectral Analysis in Traditional Chinese Medicine (TCM) Using Bio-Rad Sadtler Reference Spectra English Chinese
• Examination of the Effect of Data Resolution on IR Spectral Database Search Results
• Validation of ATR Correction and Reverse ATR Correction Algorithms in the KnowItAll Informatics System
• Identification of Polymeric Samples - FT-IR and Sadtler Database Search: An Example
• Multi-Technique Spectral Searching in KnowItAll
• Sample Preparation for IR Spectra - Liquids & Solids
• Sample Preparation for IR Spectra - Liquid Samples
• Sample Preparation for IR Spectra - Film Technique
• Search Strategies for IR Spectra - Normalization and Euclidean Distance vs. First Derivative Algorithm.
• Search Strategies for IR Spectra - Recognizing Problems and Improving the Intelligence of the Search Algorithms
• Search Strategies for IR Spectra - Increasing the Information of the Search Results
• Search Strategies for IR Spectra - Searching ATR Spectra against Transmission Data
• Search Strategies for IR Spectra - Why Bother Looking Beyond the First Hit? It's the First Hit - It Must Be Right
• Spectroscopic Mixture Deconvolution
• Case Study: Selection and Implementation of a Global FT-IR Database
• Identification of a Pharmaceutical Tablet's Origin Using FT-Near-IR and Principal Component Analysis
• Chemometric Analysis and Visualization Tools for IR Spectral Searching

Chemometrics

• Characterizing Products from a Refinery by GC and Principal Components Analysis
• Discriminating Mycobacterial Strains by LC and Multivariate Analysis
• Monitoring a Chemical Reaction with Raman Spectroscopy and Multivariate Analysis
• Multivariate Analysis of Hit Lists from Spectral Searches

Metabolomics

• Toward Diagnosis of Diabetes by NMR and Multivariate Analysis
• Understanding Metabonomics Mixtures with PCA
• Overlap Density Heatmaps: A Novel Approach to Metabolomics Research

Articles

Reprints

• A New Approach to Simultaneous Raman and IR Spectral Searches (Spectroscopy Magazine, June 2005)
• Data Management in the Spectral Laboratory (International Labmate, April 2004)

Other Articles

• Extended Grunwald-Winstein Analysis - LFER Used to Gauge Solvent Effects in p-Nitrophenyl Chloroformate Solvolysis (International Journal of Molecular Sciences. 2008; 9(11):2231-2242). This study uses KnowItAll Informatics software.
• Extracting Relevant Information from FDA Drug Files to Create a Structurally Diverse Drug Database Using KnowItAll (Pharma Reviews; 2009, Vol. 7 Issue 3).
• On the Importance of the Aromatic Ring Parameter in Studies of the Solvolyses of Cinnamyl and Cinnamoyl Halides (Organic Chemistry International, 2010, 1305061-1305069)
• Preserving A Legacy - Traude Sadtler Fights to Keep Alive the Memory of Three Generations of Chemists (Chemical & Engineering News, August 4, 2008).
• Raising a Red Flag: Deficiencies Found in the Reporting of Important Parameters in FDA Approved Drug Profiles (Pharma IQ, 2010, 2850)
• Structure Activity Relationship (SAR) patterns observed within a series of unrelated common consumer drugs (Bioinformatics, Computational Biology, Genomics, and Cheminformatics; 2009, 1-6)
• Structure Activity Relationships (SARs) Using a Structurally Diverse Drug Database: Validating Success of Predictor Tools(Pharma Reviews; 2009, Vol. 7 Issue 5).

Posters

Spectroscopy / Chromatography

• Applications of Mixture Analysis to FT-IR Spectra of Multi-Component Polymeric Systems - EAS CONFERENCE 2010
• Characterization of Spectra and Other Analytical Data via Combination of Two Methods: Multivariate Processing and Overlap Density Heatmap Visualization - ANALYTICA CONFERENCE 2008
• A Novel Method of Analyzing Spectral and Chromatographic Data - FACSS CONFERENCE 2007
• A New Approach for Spectral and Chromatographic Analyses and its Various Applications - ACS FALL CONFERENCE 2006
• New Approach for Spectroscopic Analysis Applied to Infrared Spectroscopy - FACSS CONFERENCE 2006
• Overlap Density Heatmaps: A Novel Method For Visualizing and Evaluating The (Dis)Similarity Among Multiple Spectra - METABOLOMICS SOCIETY CONFERENCE 2006
• Constructing the Perfect Database - KNOWITALL SOFTWARE AND SADTLER DATABASE USER GROUP MEETING 2011

KnowItAll U

• New Spectroscopy Reference Tool for Academic Research and Teaching - FACSS CONFERENCE 2007
• Spectral Resources from Handbooks To Digital Libraries To On-Line Collaboration KnowItAll U - ACS REGIONAL WEST CONFERENCE 2007

Metabolomics

• New Developments in an Integrated System for NMR Based Metabolomics Analysis - ANALYTICA CONFERENCE 2008
• Automated Identification of Metabolite Biomarkers by Combining Database Search and Projection Analysis in an Integrated Software System - ENC CONFERENCE 2008
• Practical Information Extraction Process in NMR-based Metabolomics - METABOMEETING 4 CONFERENCE 2008
• Pushing the Limits of Metabolite Biomarker Identification - SMASH CONFERENCE 2007
• New Development in an Integrated System for NMR-Based Metabolomics Analysis - SMASH CONFERENCE 2007
• Achieve Class Separation, NMR-Based Metabolomics - CAMBRIDGE HEALTH INSTITUTE BIOMARKER CONFERENCE 2007
• An Integrated Software Environment for NMR-Based Metabolomics Data Analysis - Leap to Biomarker Identification from PCA - METABOLOMICS SOCIETY CONFERENCE 2007
• Biomarker Identification Combining Multivariate Analysis of NMR Spectra with an Innovative Spectral Data Analysis Approach in an Integrated Working Environment - ADVANCES IN METABOLIC PROFILING CONFERENCE 2006
• Fixed-Width Binning, Variable-Width Binning or No Binning: A Study of Different Binning Methods in NMR-Based Metabolomics Analysis - METABOMEETING 3 CONFERENCE 2006
• KnowItAll Informatics System: A Seamlessly Integrated Working Environment For NMR-Based Metabolomics Analysis - METABOLOMICS SOCIETY CONFERENCE 2006
• Toward Diagnosis of Diabetes by NMR and Multivariate Analysis: Study of 1H NMR Spectra of Human Serum in an Integrated Working Environment - ACS FALL CONFERENCE 2006

Installation Guides

• KnowItAll Informatics System Installation Guide
• KnowItAll Internet Download Installation Instructions
• Sadtler IR Database Installation Guide (For *.idx format databases only)

A Brief History of Sadtler: The Premier Spectroscopy Reference

Sadtler Research Laboratories (now part of Bio-Rad), founded in Philadelphia, PA in 1874 by Samuel P. Sadtler, has had a long history of serving chemistry. Sadtler received his bachelor's degree at Harvard and his Ph.D. at the University of Göttingen in Germany under the direction of Professor Friedrich Wöhler, the "father of organic chemistry." Work in Dr. Sadtler's company includes the now famous "99 percent pure" analysis of Ivory soap performed for Harley Procter at Procter & Gamble in 1881.

Fast-forwarding 60 years, the founder's grandson, Philip Sadtler, began generating and publishing reference data for use with IR spectrometers at the request of Richard Perkin and Charles Elmer, founders of the PerkinElmer company. The resulting green books of Sadtler reference spectra that grace many libraries and laboratories throughout the world gave way to the electronic era when Bio-Rad acquired Sadtler in 1978 and began publishing electronic databases two years later.

Since then, the database collection has grown to its current impressive size. Subsequently, Bio-Rad acquired SoftShell International, the Grand Junction, Colorado based software company and maker of the renowned ChemWindow^® and Chemintosh software packages for chemical structure drawing and cheminformatics. The Sadtler spectral database legacy was merged with the SoftShell software with the introduction of the KnowItAll Informatics System in 2001.

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