Accelerate Method Development
When confronted with a novel compound for purification, the most time consuming question is, "Where do I start?" A large number of costly attempts may be conducted before real progress is made.
Software can accelerate the method development cycle by allowing users to choose a method starting point, and optimize the separation conditions before the first injection.
1. Build on Previous Knowledge
Find the best starting point for your separation by leveraging previous experience. Previous methods and results can be accessed through a corporate-wide database. Chemical structures and chromatograms are stored with the method information, and can be retrieved by chemical structure or substructure similarity, method parameters, or other search criteria.
ACD/Labs provides a database of chromatography applications from column manufacturers to get scientists started, but the development of an internal database will provide future users with valuable information about the classes of compounds with which your company works.
- Create an internal database of your experiments, or search an external database using ACD/ChromManager.
- Available external separation databases:
- The Chromatography Applications Database contains over 5000 chromatographic separations from the major column vendors. The Chromatography Applications Database is included with every copy of ChromManager.
- ChirBase is the world's largest collection of chiral separations, searchable by chemical structure. Find the most suitable chiral stationary phase for your compound with ChirBase for ACD/Labs.
2. Optimize Methods before Injecting the Sample
Instead of running multiple separation conditions to optimize the separation method, optimize the method before the first injection using software. ACD/LC Simulator will predict the retention times and resolution, and calculate the pKa for each molecule. ACD/LC Simulator can be used to select the most appropriate separation conditions such as mobile phase strength, gradient parameters, pH, temperature, and more based on molecular physical properties, and can also be used to convert gradient methods to isocratic separations. Read more about ACD/LC Simulator software.
3. Inject Sample, Separate Analytes, and Store Results
When satisfied with the retention time on the recommended method, run the sample, assign the chromatogram and add it to the ACD/ChromManager database to continually improve the system's accuracy.
Product information about our software for Chromatographic Method Development is available on our web site, at ACD/Method Development Suite. ACD/Method Development Suite consists of:
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