Oral Presentation 21st International Conference on Biological Inorganic Chemistry 2025

Multivariate analysis applied to the metal-mediated catalytic oxidation of organic substrates. (119169)

Fernando R Xavier 1
  1. Universidade do Estado de Santa Catarina - UDESC, Joinville, SANTA CATARINA, Brazil

The catalysts production comprises a significant share of the chemical industry today (U$ 35.5B) where transition metal-based catalysts correspond to the biggest and widest class [1]. The catalytic oxidation of organic substrates, an important chemical process, is currently the subject of intense research, since the reaction products are of great interest. Some examples of these products are cyclohexanol, cyclohexanone and adipic acid (obtained from the oxidation of cyclohexane). The latter is used in the production of Nylon 6,6 [2]. In addition, using benzyl alcohol as a substrate, it is possible to obtain benzaldehyde and benzoic acid, which can be used in food products, beverages and essential oils. [3] Parallel to this, mimicking the structural and functional properties of certain metalloenzymes consists in a powerful tool to inspire the development of metal complexes that can act as functional models for methane monooxygenase (MMO) and galactose oxidase (GOase). These model complexes have attracted much attention, and many of these compounds have been synthesized and characterized. Typical organic substrates employed to test the GOase-like and MMO-like activity by model complexes are benzyl alcohol (BnOH) and cyclohexane (Cy), respectively [3,4]. However, the methodologies used to optimize the product conversion are generally based on univariate experiments. In this approach, the results obtained are easy to interpret, but they may not identify the best conditions for the experiment, since the interaction between the variables is not considered. Thus, the use of chemometric tools has been applied for variable optimization in several fields. In particular, the optimization of experimental conditions using multivariate statistical approaches, such as the Box–Behnken design, a response surface methodology, can be used to optimize variables simultaneously [5]. In this sense, recent results in the catalytic oxidation of organic substrates such as cyclohexane, benzyl alcohol and cyclohexene mediated by bioinspired metal complexes and optimized by multivariate analysis will be presented. Those studies covered from the maximization of product conversion to the fine tuning of their product selectivity capabilities.

  1. [1] https://www.custommarketinsights.com/report/catalyst-market/ (accessed in 06/02/2025).
  2. [2] Alshaheri, A. A.; Tahir, M. I. M.; Rahman, M. B. A.; Ravoof, T. B. S. A. and Saleh, T. A. Chem. Eng. J., 2017, 327, 423–430.
  3. [3] Chimilouski, L.; Slominski, W. H.; Tillmann, A. I.; Will, D.; dos Santos, A. M.; Farias, G.; Martendal, E.; Naidek, K. P. and Xavier, F. R. Molecules, 2024, 29(11), 2634.
  4. [4] Vailati, A. F.; Huelsmann, R. D.; Martendal, E.; Bortoluzzi, A. J.; Xavier, F. R. and Peralta, R. A. New J. Chem, 2020, 44, 2514.
  5. [5] Ferreira, S. L. C.; Lemos, V. A.; de Carvalho, V. S.; da Silva, E.G.P.; Queiroz, A. F. S.; Felix, C.S.A.; da Silva, D. L. F.; Dourado, G. B. and Oliveira, R. V. Microchem. J., 2018, 140, 176-182.