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pKa PRO ™ System: Competing Technologies

pKa PRO ™ System: Competing Technologies. Competing Technologies for pKa Analysis. Potentiometry UV Spectrophotometry Single column CE Single column CE-MS. CONFIDENTIAL. Potentiometry. Low sample throughput 30 samples/24 h for aqueous pKa Requires mg of sample

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pKa PRO ™ System: Competing Technologies

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  1. pKa PRO™ System: Competing Technologies

  2. Competing Technologies for pKa Analysis • Potentiometry • UV Spectrophotometry • Single column CE • Single column CE-MS CONFIDENTIAL

  3. Potentiometry • Low sample throughput • 30 samples/24 h for aqueous pKa • Requires mg of sample • Impurities can interfere w/measurement • Can measure non-UV absorbing samples • Extensively developed protocols • Complicated, time consuming data analysis • Can use multiple co-solvent systems • Methanol, DMSO, ACN, Ethanol, DMF Sirius GLpKa • pKa PRO™system provides: • Increased sample throughput • Much lower sample consumption • Separation/isolation of impurities • More intuitive data analysis • Indication of overall compound charge • Versatile platform (log P, chiral, etc) CONFIDENTIAL

  4. Comparisons Between pKa PRO™ and Sirius GLpKa CONFIDENTIAL

  5. Potentiometry w/UV-Spectrophotometry • Low sample throughput • 30 samples/24 h for aqueous pKa • Requires 150 ug of sample • Impurities can interfere w/measurement • Must absorb UV, sensitive to compound structure • Ionization center must be within 2-3 bonds of chromophore • Complicated, time consuming data analysis Sirius GLpKa w/DPAS • pKa PRO™system provides: • Increased sample throughput • Measurement NOT sensitive to compound structure • Lower sample consumption • Separation/isolation of impurities • More intuitive data analysis • Indication of overall compound charge • Versatile platform (log P, chiral, etc) CONFIDENTIAL

  6. Spectral Gradient Analysis UV-Spectrophotometry • High sample throughput • Claim 300 samples/24 h for aqueous pKa • Requires ~100 ug of sample • Impurities can interfere w/measurement • Must absorb UV, sensitive to compound structure • Ionization center must be within 2-3 bonds of chromophore • Some pKa values “invisible” to instrument • Complex data analysis, not easily understood • Co-solvent methods not fully developed Sirius SGA • pKa PRO™system provides: • Similar throughput • Measurement NOT sensitive to compound structureSeparation/isolation of impurities • More intuitive data analysis • Indication of overall compound charge • Versatile platform (log P, chiral, etc) CONFIDENTIAL

  7. Comparisons Between pKa PRO™ and Sirius ProfilerSGA Information From: (1) Box, K.; Bevan, C.; Comer, J.; Hill, A.; Allen, R.; Reynolds, D. Anal. Chem.2003, 75, 883-892. CONFIDENTIAL

  8. Information From: (1) Box, K.; Bevan, C.; Comer, J.; Hill, A.; Allen, R.; Reynolds, D. Anal. Chem.2003, 75, 883-892. CONFIDENTIAL

  9. Single Column Capillary Electrophoresis • Same principles, similar results to the pKa PRO™ • Slightly better detection sensitivity • Low throughput (10 samples/day for aqueous pKa) • No application specific software available • Co-solvent measurements impractical • Low throughput • No software available for calculations • No consumables commercially available • Estimated system cost: ~$60,000 US Beckman P/ACE™ MDQ DNA System Also: Agilent single channel CE • pKa PRO™system provides: • Greatly increased sample throughput • Dedicated software for pKa analysis • Co-solvent measurement capabilities • Full line of ready-to-use reagents • Predefined methods for greater ease-of-use CONFIDENTIAL

  10. Single Column CE-MS • Same principles, similar results to the pKa PRO™ • ~10X better detection sensitivity • Can measure pKa for non-UV absorbing samples • Low throughput (pool samples to increase throughput) • No application specific software available • Need to deconvolute pooled samples by MW! • No pKa software commercially available • Co-solvent measurements impractical • Low throughput • No software available for calculations • No consumables commercially available • High cost of ownership; requires highly technical user • Estimated system cost: >$100,000 US Agilent CE-MS System • pKa PRO™system provides: • Greatly increased sample throughput • Dedicated software for pKa analysis • Co-solvent measurement capabilities • Lower cost of ownership; less technical resources required • Full line of ready-to-use reagents • Predefined methods for greater ease-of-use CONFIDENTIAL

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