SBIR-STTR Award

Despite 10 years of intensive research into computer-assisted method development for high-performance liquid chromatography (HPLC) separation, relatively feew chromatographers use these techniques to a significant extent. LC Resources, Inc., plans to develop a computer program called Modular Optimization Software/Expert System (MOSES) that addresses this problem. Computer-simulation modules based on chromatographic theory will be integrated into an expert system framework that addresses most of the problems encountered during HPLC method development. The program will be applicable to both small molecule samples, which most previous work addresses, and to large bbiomolecules of interest in life science. The program will also assist in the selection of initial conditions, sample pretreatment, optimizing the separation, and scaling up for preparative separation. Previously recognized needs in computer-assisted method development (e.g., user-friendly environment, reliable and convenient mapping of separation, and peak tracking) will be addressed.Awardee's statement of the potential commercial applications of the research:An expert system for HPLC method development would allow less experienced workers to develop acceptable procedures for many samples, including those of biological origin. More experienced chromatographers would be able to develop superior HPLC methods in much less time.National Institute of General Medical Sciences (NIGMS)

The goal is the development of a computer program modular optimization software/expert system (MOS/ES) for the facilitation of HPLC method development. Phase I achieved the following objectives:(1) a prototype expert system software that allows the development of an isocratic HPLC method,(2) a new computer-simulation module that can be used for the isocratic optimization of any separation variable (e. g. pH, temary-solvent compositions, etc.),(3) an initial version of peak tracking software, and(4) computer simulation software for the separation of large biomolecules.In Phase II we will accomplish several tasks:(1) completion of the expert system begun in Phase I,(2) development of software based on a new approach to HPLC method development (restricted multi-parameter optimization),(3) automation of the selection of certain experimental conditions,(4) development of an interface that allows the MOS/ES program to control the HPLC hardware and(5) extension of the present approach (MOS/ES) to include preparative separations.Awardee's statement of the potential commercial applications of the research:Upon Phase III commercialization, the MOS/ES program will be available for use in any HPLC laboratory as an aid for method development and validation. This will result in(1) better analytical and preparative separations and(2) lower costs to both develop and carry out these separations.National Institute of General Medical Sciences (NIGMS)