Applications of combinatorial catalyst

Applications of Combinatorial Catalyst Development and an Outlook on Future Work... 

Recently, the complementary approach of combinatorial synthesis has been increasingly applied to the generation of biologically active molecules, including potent enzyme inhibitors [55], Interestingly, the first reports of the application of combinatorial chemistry to heterogeneous catalysts have also recently appeared [56,57],... 

Although the initial applications of combinatorial and high-throughput chemistry have occurred in the pharmaceutical field, the same techniques are now being used successfully to aid in the discovery of new catalysts, polymers, and high temperature superconductors, see also Chemical Infor-... 

We believe that the successful application of combinatorial methods to the chemical industry could have similar benefits 1) an increase in the rate of catalyst innovation and 2) a decrease in commercialization cycle times. Because of this belief, UOP and SINTEF have developed their End-to-End combinatorial catalyst discovery system. This system includes the ability to perform all the critical catalyst processing operations combinatorially (Figure 1). We have validated each of these steps using commercially relevant catalyst examples. In addition, we have utilized the entire system to prepare and test catalysts for catalytic applications. 

As with other applications of combinatorial chemistry, libraries of catalyst candidates are mainly generated either by parallel synthesis (Scheme 3, middle) (6) or by the split-and-combine approach (Scheme 4) (7). Parallel (in many instances automated) synthesis has the advantage that the identity of the synthesis products (e.g., ligands) is known, and that existing methods of solution-phase synthesis (and analysis) can be applied with only little modification. 

The major impetus for the development of solid phase synthesis centers around applications in combinatorial chemistry. The notion that new drug leads and catalysts can be discovered in a high tiuoughput fashion has been demonstrated many times over as is evidenced from the number of publications that have arisen (see references at the end of this chapter). A number of )proaches to combinatorial chemistry exist. These include the split-mix method, serial techniques and parallel methods to generate libraries of compounds. The advances in combinatorial chemistry are also accompani by sophisticated methods in deconvolution and identification of compounds from libraries. In a number of cases, innovative hardware and software has been developed tor these purposes. 

In this brief review we illustrated on selected examples how combinatorial computational chemistry based on first principles quantum theory has made tremendous impact on the development of a variety of new materials including catalysts, semiconductors, ceramics, polymers, functional materials, etc. Since the advent of modem computing resources, first principles calculations were employed to clarify the properties of homogeneous catalysts, bulk solids and surfaces, molecular, cluster or periodic models of active sites. Via dynamic mutual interplay between theory and advanced applications both areas profit and develop towards industrial innovations. Thus combinatorial chemistry and modem technology are inevitably intercoimected in the new era opened by entering 21 century and new millennium. 

Process Miniaturization Second International Conference, CATTECH, December 1998 Steep progress in microelectronics in the past key players topics of IMRET 2 general advantages of micro flow energy, safety, process development, combinatorial catalyst testing, lab-on-a-chip biological applications anodically oxidized catalyst supports as alternatives to non-porous supports [220]. 

---