Accelerating lead discovery via advanced screening methodologies

Abstract Sufficient data quality, screening speed and sample throughput are often discussed as the three controversial factors in primary screening attempts within HTE (high throughput experimentation). Hence, one of the most exciting challenges for stage-I-screening attempts is the fast access to performance data with high quality. Apart from the development of new analytical tools, we demonstrate here that an intelligent combination of different analytical techniques which complement each other can lead to substantial acceleration of the screening process while achieving a high data quality. In the given example the direct combination of IR thermography and, e.g. one additional sampling method (e.g. mass spectrometry or GC/MS) via a movable “sniffing capillary” results in a powerful combination utilizing the strength of each method: fast screening for catalyst’s activity by IR thermography and exact determination of relevant reaction selectivities for active candidates only by, e.g. fast GC, GC/MS or MS. In a demonstration example for a partial oxidation reaction in the gas phase with solid catalyst libraries we present the validation data, including the key factors of a new reactor design with ensured homogeneous temperature- and fluid distribution developed by hte Aktiengesellschaft. This advanced primary screening approach is presented in the context of the HTE solution for gas phase oxidation reactions.