High throughput experimentation

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High Throughput Experimentation (HTE) is a scientific approach in which massively parallel experiments are carried out. The literal translation would be high-throughput experimentation ; but this is not used in linguistic terms. When carrying out the experiment, various parameters or starting materials are systematically varied and empirically examined at the same time. The ultimate goal is to identify the individual optimal value of a parameter (e.g. the reaction temperature for ideally carrying out a chemical reaction) or a single starting material (e.g. a lead structure in pharmaceutical research) more quickly. High throughput experimentation is mainly used in industrial research to accelerate new developments.

history

Some examples of this approach can be traced back to Thomas Alva Edison (1878) and Giacomo Luigi Ciamician (1912). One of the early verifiable applications of HTE in inorganic chemistry was made by Alwin Mittasch in 1909. Despite these early efforts, the approach was ignored for a long time. It experienced a renaissance in the 1970s and 1980s in pharmaceutical research and the life sciences . This resurgence was made possible through the use of laboratory automation and more powerful computer-aided evaluation methods. In the mid-1990s, the principle was rediscovered in empirical catalyst research, where it was referred to as high throughput experimentation .

principle

The high throughput principle is used today in various research areas in the natural sciences, e.g. B. in pharmaceutical research , in catalysis research, especially in the field of heterogeneous catalysis , as well as in materials science .

The systematic approach is described below using an example from heterogeneous catalysis:

  1. Design of the experiments, i.e. the test planning. When planning experiments, it is also crucial which level of detail you want to achieve: the higher the level of detail, the fewer tests can still be carried out due to technical limitations.
  2. The synthesis of the starting materials that are to be checked in the following steps, i.e. mostly their chemical synthesis, e.g. B. by combinatorial chemistry or other manufacturing process of materials (z. B. different mixture composition).
  3. The (high throughput) screening (literally translated as sieving), i.e. the analysis and test procedures.
  4. The statistical evaluation, mostly with the help of computer-aided processes.

Design, synthesis, screening and statistical evaluation can also be carried out several times in succession, each with optimized conditions.

For definition

There are different written definitions and different linguistic definitions in the individual scientific disciplines , which can sometimes lead to confusion: In pharmaceutical research and the life sciences, the term high-throughput screening is sometimes used synonymously with high-throughput experimentation, but in pharmaceutical research it is also used as a synonym for high-throughput experimentation the term high-throughput screening mainly describes test procedures for the determination of lead structures from substance libraries. In heterogeneous catalysis research and materials research, on the other hand, the broader term of high throughput experimentation is more widespread, where not only substance libraries are searched, but other parameters (pressure, temperature, amount of substance) are also examined.

In Inorganic Chemistry (. Eg in the synthesis of metal-organic frameworks ) is generally of high-throughput methods ( engl . High-throughput synthesis and characterization ) spoken. The term is then used for both synthesis and characterization methods.

Individual evidence

  1. ↑ Roadmap for chemical reaction engineering. (PDF; 3.2 MB) 1st edition. DECHEMA Society for Chemical Technology and Biotechnology eV , 2010, p. 9.
  2. ^ R. Hoogenboom, MAR Meier, US Schubert: Automated Synthesis and High-throughput Screening in Polymer Research: Past and Present. In: Macromolecular Rapid Communications. 2003, 24, pp. 15-32, doi : 10.1002 / marc.200390013 .
  3. ↑ a b W.F. Maier, K. Stöwe, S. Sieg: Combinatorial and High-Throughput Materials Science. In: Angewandte Chemie International Edition. 46, 2007, pp. 6016-6067, doi : 10.1002 / anie.200603675 .
  4. ↑ N. Aschenbrenner: Catalyst in a haystack. In: Spectrum of Science . January 2004, ISSN  0170-2971 , pp. 68-69.
  5. ↑ F. Schüth, D. Demuth: High-Throughput Experimentation in Heterogeneous Catalysis. In: Chemical Engineer Technology. 78, 2006, pp. 851-861, doi : 10.1002 / cite.200600047 .
  6. ↑ Gerhard Ertl , Helmut Knözinger , Ferdi Schüth , Jens Weitkamp : Handbook of Heterogeneous Catalysis. 2nd edition. Vol. 4, Wiley-VCH, Weinheim 2008, ISBN 978-3-527-31241-2 , pp. 2053-2072.
  7. ↑ Sebastian Bauer, Norbert Stock: High-throughput methods in solid-state chemistry. Get there faster . In: Chemistry in Our Time . tape 41 , no. 5 , October 2007, p. 390–398 , doi : 10.1002 / ciuz.200700404 ( wiley.com [accessed September 18, 2019]).

literature

  • Melvin V. Koch: Micro Instrumentation: for High Throughput Experimentation and Process Intensification. 1st edition. Wiley-VCH Verlag, Weinheim 2007, ISBN 978-3-527-31425-6 .