Screening workflow components

The 48-channel MCFB reactor and the catalyst synthesis workflow components were similarly validated in experiments where bulk samples were prepared in library format, screened in the array format, and the data compared with known examples. This part of the workflow was used for initial hit validation and to opti-... 

The complete primary screening workflow for the discovery of new fuel cell electrocatalysts is shown in Fig. 11.8. The individual components of this workflow are designed such that no bottleneck occurs. 

In order to execute a combinatorial approach for discovery of novel electrocatalyst materials, several key workflow components need to be in place, including the ability to generate a large mrmber of electrocatalyst powders with variation in the composition and microstructure and to test their activity in the ORR by a rapid screening technique. 

Fig. 1.4 compares, in topological format, the space-time yield versus composition for the data presented in the 1978 Union Carbide publication and the activity rankings observed in the SMS in an experiment that took less than 4 h, most of which was unattended. The correlation is remarkable. The primary synthesis and screening components of the workflow were thus validated. Hif criteria were established that involved ranking the yield of the reaction over the various catalysts (the activity figure of merit multiplied by selectivity). The hif criteria performance bar increased as the discovery program evolved and improved systems were discovered. 

Among computational approaches that can help driving the discovery of new bioactive compounds, a prominent workflow is the screening of large database of readily available molecules. It is with surprise that the scientific community has not developed yet a freely available and fully chemically annotated database of food components [8, 9], Despite this lack, some examples are starting to appear in the literature and on the Internet. Among them, we can list the INFOODS of FAO [129], the USDA national nutrient database [130] and the FooDB that has been recently released [131]. In the direction of the creation of a comprehensive and freely available collection of food chemicals, it should be noted also the necessity to include the possible procurement from commercial sources of purified samples of food components that, ideally, should complement the major efforts that have been done in the past years for other natural sources [123]. 

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