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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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slide1

pKa PRO™ System:

Competing Technologies

slide2

Competing Technologies for pKa Analysis

  • Potentiometry
  • UV Spectrophotometry
  • Single column CE
  • Single column CE-MS

CONFIDENTIAL

slide3

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

slide5

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

slide6

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

slide7

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

slide8

Information From:

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

CONFIDENTIAL

slide9

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

slide10

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