Combinatorial materials and catalysts development: Where are we and how far can we go?

Combinatorial and High-Throughput Discovery and Optimization of Catalysts and Materials

Volumn , Issue , 2006, Pages 3-16

  Potyrailo, Radislav A ^a   Maier, Wilhelm F ^b  

^a GE GLOBAL RESEARCH   (United States)

^b SAARLAND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 40449139857     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1201/9781420005387     Document Type: Chapter

References (78)

1. Knobloch, E. and Berlin, W., The mathematical studies of G. W. Leibniz on combinatorics, Historia Mathematica 1, 409, 1974.
2. Erickson, M. J., Introduction to Combinatorics, Wiley, New York, 1996.
3. Czarnik, A. W. and DeWitt, S. H., A Practical Guide to Combinatorial Chemistry, American Chemical Society, Washington, DC, 1997.
4. Borman, S., Rescuing combinatorial chemistry, in C&EN 2004, 82 (40), 45-56.
5. Mullin, R., Drug discovery, in C&EN 2004, 82 (30), 23-32.
6. Potyrailo, R. A., Polymeric sensor materials: Toward an alliance of combinatorial and rational design tools, Angew. Chem. Intl. Ed., 2006, in press.
7. Korotcenkov, G., Gas response control through structural and chemical modification of metal oxide films: State of the art and approaches, Sens. Actuators B 107, 209, 2005.
8. Takeuchi, I., Newsam, J. M., Wille, L. T., Koinuma, H. and Amis, E. J., Combinatorial and artificial intelligence methods in materials science, in MRS symposium proceedings, Materials Research Society, Warrendale, PA, 2002.
9. Xiang, X.-D. and Takeuchi, I., Combinatorial Materials Synthesis, Marcel Dekker, New York, 2003.
10. Potyrailo, R. A. and Amis, E. J., High Throughput Analysis: A Tool for Combinatorial Materials Science, Kluwer Academic/Plenum Publishers, New York, 2003.
11. Koinuma, H. and Takeuchi, I., Combinatorial solid state chemistry of inorganic materials, Nature Materials 3, 429, 2004.
12. Potyrailo, R. A., Karim, A., Wang, Q. and Chikyow, T., Combinatorial and artificial intelligence methods in materials science II, in MRS symposium proceedings, Materials Research Society, Warrendale, PA, 2004.
13. Xiang, X.-D., Sun, X., Briceño, G., Lou, Y., Wang, K. A., Chang, H., Wallace-Freedman, W. G., Chen, S. W. and Schultz, P. G., A combinatorial approach to materials discovery, Science 268, 1738, 1995.
14. Holzwarth, A., Schmidt, H.-W. and Maier, W., Detection of catalytic activity in combinatorial libraries of heterogeneous catalysts by IR thermography, Angew. Chem. Int. Ed. 37, 2644, 1998.
15. Cooper, A. C., McAlexander, L. H., Lee, D.-H., Torres, M. T. and Crabtree, R. H., Reactive dyes as a method for rapid screening of homogeneous catalysts, J. Am. Chem. Soc. 120, 9971, 1998.
16. Strasser, P., Fan, Q., Devenney, M., Weinberg, W. H., Liu, P. and Norskov, J. K., High throughput experimental and theoretical predictive screening of materials-a comparative study of search strategies for new fuel cell anode catalysts, J. Phys. Chem. B 107, 11013, 2003.
17. Lemmon, J. P., Wroczynski, R. J., Whisenhunt Jr., D. W. and Flanagan, W. P., High throughput strategies for monomer and polymer synthesis and characterization, Polymer Preprints 42 (2), 630, 2001.
18. Reetz, M. T., Becker, M. H., Kuhling, K. M. and Holzwarth, A., Time-resolved IR-thermographic detection and screening of enantioselectivity in catalytic reactions, Angew. Chem. Int. Ed. 37, 2647, 1998.
19. Reddington, E., Sapienza, A., Gurau, B., Viswanathan, R., Sarangapani, S., Smotkin, E. S. and Mallouk, T. E., Combinatorial electrochemistry: A highly parallel, optical screening method for discovery of better electrocatalysts, Science 280, 1735, 1998.
20. Brocchini, S., James, K., Tangpasuthadol, V. and Kohn, J., A combinatorial approach for polymer design, J. Am. Chem. Soc. 119, 4553, 1997.
21. Lai, R., Kang, B. S. and Gavalas, G. R., Parallel synthesis of zsm-5 zeolite films from clear organic-free solutions, Angew. Chem. Int. Ed. 40, 408, 2001.
22. Danielson, E., Devenney, M., Giaquinta, D. M., Golden, J. H., Haushalter, R. C., McFarland, E. W., Poojary, D. M., Reaves, C. M., Weinberg, W. H. and Wu, X. D., A rare-earth phosphor containing onedimensional chains identified through combinatorial methods, Science 279, 837, 1998.
23. Briceño, G., Chang, H., Sun, X., Schultz, P. G. and Xiang, X.-D., A class of cobalt oxide magnetoresistance materials discovered with combinatorial synthesis, Science 270, 273, 1995.
24. Ramirez, A. G. and Saha, R., Combinatorial studies for determining properties of thin-film gold-cobalt alloys, Appl. Phys. Lett. 85, 5215, 2004.
25. Chisholm, B. J., Potyrailo, R. A., Cawse, J. N., Shaffer, R. E., Brennan, M. J., Moison, C., Whisenhunt, D. W., Flanagan, W. P., Olson, D. R., Akhave, J. R., Saunders, D. L., Mehrabi, A. and Licon, M., The development of combinatorial chemistry methods for coating development I. Overview of the experimental factory, Prog. Org. Coat. 45, 313, 2002.
26. Jiang, R., Rong, C. and Chu, D., Combinatorial approach toward high-throughput analysis of direct methanol fuel cells, J. Comb. Chem. ASAP article, 2005.
27. Hänsel, H., Zettl, H., Krausch, G., Schmitz, C., Kisselev, R., Thelakkat, M. and Schmidt, H., Combinatorial study of the long-term stability of organic thin-film solar cells, Appl. Phys. Lett. 81, 2106, 2002.
28. Wong, D. W. and Robertson, G. H., Combinatorial chemistry and its applications in agriculture and food, Adv. Exp. Med. Biol. 464, 91, 1999.
29. Chang, H., Gao, C., Takeuchi, I., Yoo, Y., Wang, J., Schultz, P. G., Xiang, X.-D., Sharma, R. P., Downes, M. and Venkatesan, T., Combinatorial synthesis and high throughput evaluation of ferroelectric/dielectric thin-film libraries for microwave applications, Appl. Phys. Lett. 72 (17), 2185, 1998.
30. Zhao, J.-C., A combinatorial approach for structural materials, Adv. Eng. Mat. 3, 143, 2001.
31. Lemmon, J. P., Manivannan, V., Jordan, T., Hassib, L., Siclovan, O., Othon, M. and Pilliod, M., High throughput screening of materials for solid oxide fuel cells, in Combinatorial and artificial intelligence methods in materials science II. MRS symposium proceedings, Potyrailo, R. A., Karim, A., Wang, Q. and Chikyow, T., Materials Research Society, Warrendale, PA, 2004, p. 27.
32. Olk, C. H., Combinatorial approach to material synthesis and screening of hydrogen storage alloys, Meas. Sci. Technol. 16, 14, 2005.
33. Zou, L., Savvate’ev, V., Booher, J., Kim, C.-H. and Shinar, J., Combinatorial fabrication and studies of intense efficient ultraviolet-violet organic light-emitting device arrays, Appl. Phys. Lett. 79, 2282, 2001.
34. Potyrailo, R. A., Morris, W. G. and Wroczynski, R. J., Multifunctional sensor system for high-throughput primary, secondary, and tertiary screening of combinatorially developed materials, Rev. Sci. Instrum. 75, 2177, 2004.
35. Frantzen, A., Scheidtmann, J., Frenzer, G., Maier, W. F., Jockel, J., Brinz, T., Sanders, D. and Simon, U., High-throughput method for the impedance spectroscopic characterization of resistive gas sensors, Angew. Chem. Int. Ed. 43, 752, 2004.
36. Dickinson, T. A., Walt, D. R., White, J. and Kauer, J. S., Generating sensor diversity through combinatorial polymer synthesis, Anal. Chem. 69, 3413, 1997.
37. Szurdoki, F., Ren, D. and Walt, D. R., A combinatorial approach to discover new chelators for optical metal ion sensing, Anal. Chem. 72, 5250, 2000.
38. Hanak, J. J., The “multiple-sample concept” in materials research: Synthesis, compositional analysis and testing of entire multicomponent systems, J. Materials Science 5, 964, 1970.
39. Birina, G. A. and Boitsov, K. A., Experimental use of combinational and factorial plans for optimizing the compositions of electronic materials, Zavodskaya Laboratoriya (in Russian) 40 (7), 855, 1974.
40. Kennedy, K., Stefansky, T., Davy, G., Zackay, V. F. and Parker, E. R., Rapid method for determining ternary-alloy phase diagrams, J. Appl. Phys. 36 (12), 3808, 1965.
41. Hoffmann, R., Not a library, Angew. Chem. Int. Ed. 40, 3337, 2001.
42. Hoogenboom, R., Meier, M. A. R. and Schubert, U. S., Combinatorial methods, automated synthesis and high-throughput screening in polymer research: Past and present, Macromol. Rapid Commun. 24, 15, 2003.
43. Burtis, C. A., Johnson, W. F. and Overton, J. B., Automated loading of discrete, microliter volumes of liquids into a miniature fast analyzer, Anal. Chem. 46, 786, 1974.
44. Gregory IV, R. P., Lowry, J. D. and Malmstadt, H. V., Multichannel pipet for parallel aliquoting of samples and reagents into centrifugal analyzer minidiscs, Anal. Chem. 49, 1608, 1977.
45. Anderson, F. W. and Moser, J. H., Automatic computer program for reduction of routine emission spectrographic data, Anal. Chem. 30, 879, 1958.
46. Eash, M. A. and Gohlke, R. S., Mass spectrometric analysis. A small computer program for the analysis of mass spectra, Anal. Chem. 34, 713, 1962.
47. Hansch, C., Quantitative approach to biochemical structure-activity relationships, Acc. Chem. Res. 2, 232, 1969.
48. Craig, P. N., Comparison of batch and time-sharing computer runs for correlating structures and bioactivity by the hansch method, J. Chem. Doc. 11, 160, 1971.
49. Potyrailo, R. A. and Takeuchi, I., Role of high-throughput characterization tools in combinatorial materials science, Meas. Sci. Technol. 16, 1, 2005.
50. Potyrailo, R. A., Chisholm, B. J., Olson, D. R., Brennan, M. J. and Molaison, C. A., Development of combinatorial chemistry methods for coatings: High-throughput screening of abrasion resistance of coatings libraries, Anal. Chem. 74, 5105, 2002.
51. Potyrailo, R. A., Chisholm, B. J., Morris, W. G., Cawse, J. N., Flanagan, W. P., Hassib, L., Molaison, C. A., Ezbiansky, K., Medford, G. and Reitz, H., Development of combinatorial chemistry methods for coatings: High-throughput adhesion evaluation and scale-up of combinatorial leads, J. Comb. Chem. 5, 472, 2003.
52. Saalfrank, J. W. and Maier, W. F., Directed evolution of noble-metal-free catalysts for the oxidation of CO at room temperature, Angew. Chem. Int. Ed. 43, 2028, 2004.
53. Klanner, C., Farrusseng, D., Baumes, L., Lenliz, M., Mirodatos, C. and Schüth, F., The development of descriptors for solids: Teaching catalytic intuition to a computer, Angew. Chem. Int. Ed. 43, 5347, 2004.
54. Scheidtmann, J., Klär, D. L., Saalfrank, J. W., Schmidt, T. and Maier, W. F., Qcar-influence of a sample on its neighbours in composition spreads of co-ni-mn-mixed-oxides and m1-m2-mixed-oxides, QSAR Comb. Sci. 24, 203, 2005.
55. Sieg, S., Stutz, B., Schmidt, T., Hamprecht, F. A., Maier, W. F., J. Mol. Model., in press.
56. MacLean, D., Baldwin, J. J., Ivanov, V. T., Kato, Y., Shaw, A., Schneider, P. and Gordon, E. M., Glossary of terms used in combinatorial chemistry, J. Comb. Chem. 2, 562, 2000.
57. Bever, M. B. and Duwez, P. E., Gradients in composite materials, Mater. Sci. Eng. 10, 1, 1972.
58. Shen, M. and Bever, M. B., Gradients in polymeric materials, J. Mater. Sci. 7, 741, 1972.
59. Ilschner, B., Structural and compositional gradients: Basic idea, preparation, applications, J. De Physique IV, Colloq. C7 3, 763, 1993.
60. Pompe, W., Worch, H., Epple, M., Friess, W., Gelinsky, M., Greil, P., Hempel, U., Scharnweber, D. and Schulte, K., Functionally graded materials for biomedical applications, Mater. Sci. Eng. A 362, 40, 2003.
61. Kieback, B., Neubrand, A. and Riedel, H., Processing techniques for functionally graded materials, Mater. Sci. Eng. A 362, 81, 2003.
62. Morse, M. P., Abrasion resistance, in Paint and Coating Testing Manual, Koleske, J. V., American Society for Testing and Materials, Philadelphia, PA, 1995, p. 525.
63. Chemical kinetics and photochemical data for use in atmospheric studies, http://jpldataeval.jpl.nasa. gov/download.html Jet Propulsion Laboratory, JPL Publication No.02-25, 2003.
64. Adams, N. and Schubert, U. S., From science to innovation and from data to knowledge: Escience in the Dutch Polymer Institute’s high-throughput experimentation cluster, QSAR Comb. Sci. 24, 58, 2005.
65. Frantzen, A., Sanders, D., Scheidtmann, J., Simon, U. and Maier, W. F., A flexible database for combinatorial and high throughput materials science, QSAR Comb. Sci. 24, 22, 2005.
66. Cohan, P. E., Combinatorial materials science applied-mini case studies, lessons and strategies, in Combi 2002-the 4th annual international symposium on combinatorial approaches for new materials discovery, Knowledge Foundation, Jan. 23-25, 2002, San Diego, CA.
67. Potyrailo, R. A. and Pickett, J. E., High-throughput multilevel performance screening of advanced materials, Angew. Chem. Int. Ed. 41, 4230, 2002.
68. Li, G. Y., Highly active, air-stable combinatorial catalysts for the cross-coupling of aryl chlorides: the first homogeneous combinatorial catalysts for industrial applications, in Combi 2002-the 4th annual international symposium on combinatorial approaches for new materials discovery, Knowledge Foundation, Jan. 23-25, 2002, San Diego, CA.
69. Bricker, M. L., Gillespie, R. D., Holmgren, J. S., Sachtler, J. W. A. and Willis, R. R., Scaling-up of catalysts discovered from small scale experiments, in High Throughput Analysis: A Tool for Combinatorial Materials Science, Potyrailo, R. A. and Amis, E. J., editors, Kluwer Academic/Plenum Publishers, New York, 2003, ch. 26.
70. Spivack, J. L., Webb, J., Flanagan, W. P., Sabourin, C., May, R. and Hassib, L., Design, use and results from combinatorial steady-state reactors for the optimization of highly selective heterogeneous catalysts in liquid systems, in Combinatorial and artificial intelligence methods in materials science II. MRS symposium proceedings, Potyrailo, R. A., Karim, A., Wang, Q., and Chikyow, T., editors, Materials Research Society, Warrendale, PA, 2004, p. 199.
71. Spivack, J. L., Cawse, J. N., Whisenhunt Jr., D. W., Johnson, B.F., Shalyaev, K. V., Male, J., Pressman, E. J., Ofori, J., Soloveichik, G., Patel, B. P., Chick, T. L., Smith, D. J., Jordan, T. M., Brennan, M. R., Kilmer, R. J. and Williams, E. D., Combinatorial discovery of metal co-catalysts for the carbonylation of phenol, Appl. Catal., A 254, 5, 2003.
72. Boussie, T. R., Diamond, G. M., Goh, C., Hall, K. A., LaPointe, A. M., Leclerc, M., Lund, C., Murphy, V., Shoemaker, J. A. W., Tracht, U., Turner, H., Zhang, J., Uno, T., Rosen, R. K. and Stevens, J. C., A fully integrated high-throughput screening methodology for the discovery of new polyolefin catalysts:Discovery of a new class of high temperature single-site group (iv) copolymerization catalysts, J. Am. Chem. Soc. 125, 4306, 2003.
73. Archibald, B., Brümmer, O., Devenney, M., Giaquinta, D. M., Jandeleit, B., Weinberg, W. H. and Weskamp, T., Combinatorial aspects of materials science, in Handbook of Combinatorial Chemistry. Drugs, Catalysts, Materials, Nicolaou, K. C., Hanko, R., and Hartwig, editors, W. Wiley-VCH, Weinheim, Germany, 2002, ch. 34, p. 1017.
74. Potyrailo, R. A., Combinatorial and high-throughput development of polymer sensor materials for optical and resonant sensors, Polymer Preprints 45 (2), 174, 2004.
75. Potyrailo, R. A., Analytical spectroscopic tools for high-throughput screening of combinatorial materials libraries, Trends Anal. Chem. 22, 374, 2003.
76. Farrusseng, D., Klanner, C., Baumes, L, Lenliz, M., Mirodatos, C. and Schüth F., Design of discovery libraries for solids based on qsar models, QSAR Comb. Sci. 24, 78, 2005.
77. Dirion, B., Cobb, Z., Schillinger, E., Andersson, L. I. and Sellergren, B., Water-compatible molecularly imprinted polymers obtained via high-throughput synthesis and experimental design, J. Am. Chem. Soc. 125, 15101, 2003.
78. Potyrailo, R. A., Ezbiansky, K., Chisholm, B. J., Morris, W. G., Cawse, J. N., Hassib, L., Medford, G. and Reitz, H., Development of combinatorial chemistry methods for coatings: High-throughput weathering evaluation and scale-up of combinatorial leads, J. Comb. Chem. 7, 190, 2005.