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Search for "design of experiments" in Full Text gives 10 result(s) in Beilstein Journal of Organic Chemistry.
Optimizing reaction conditions for the light-driven hydrogen evolution in a loop photoreactor
Beilstein J. Org. Chem. 2024, 20, 74–91, doi:10.3762/bjoc.20.9
- an exhaust gas line. To align the results using photocatalysts from different batches, an adjustment factor of 2.212 was calculated. The calculations are shown in Supporting Information File 1, Figure S8. Design of experiments A DOE analysis was used to evaluate the effect of four operating
- hydrogen evolution with Pt-loaded polymeric carbon nitride. Performance metric values for the suggested models from DOE analysis. “Prob>F” values of the studied parameters from DOE ANOVA analysis. Parameter label and values used for design of experiments analysis. Supporting Information Supporting
Valorisation of plastic waste via metal-catalysed depolymerisation
Beilstein J. Org. Chem. 2021, 17, 589–621, doi:10.3762/bjoc.17.53
- process. More recently, the use of soluble Zn(II) molecular catalysts was investigated. An in-depth study of the methanolysis reaction of PLA was carried out via design of experiments technique, using a series of imino monophenolate–Zn complexes and THF solvent. Different commercial samples of PLA were
Photophysics and photochemistry of NIR absorbers derived from cyanines: key to new technologies based on chemistry 4.0
Beilstein J. Org. Chem. 2020, 16, 415–444, doi:10.3762/bjoc.16.40
Mechanochemical synthesis of hyper-crosslinked polymers: influences on their pore structure and adsorption behaviour for organic vapors
Beilstein J. Org. Chem. 2019, 15, 1154–1161, doi:10.3762/bjoc.15.112
- surface area) achieved with the classical solvent-based approach (Sol-HCP, SSABET = 1450 m2g−1, Vp = 1.55 cm−3g−1) [11] could not be reached. In order to improve this property, we varied the mechanochemical reaction parameters such as milling time and amount of oxidant in a systematic (DOE) design of
- experiments approach (see Supporting Information File 1 for details). While changes in these parameters translated to variations in the specific surface, it was not possible to achieve surface areas as high as the solution-based method solely by adapting the aforementioned parameters. The most influential
Automating multistep flow synthesis: approach and challenges in integrating chemistry, machines and logic
Beilstein J. Org. Chem. 2017, 13, 960–987, doi:10.3762/bjoc.13.97
- flow synthesis of high-value molecules where each reaction step demands a very different set of optimal parameters to maximize the yield for that step, automating the synthesis approach will help in integrating the decision making, design of experiments and actual synthesis [33]. This will also help to
NMR reaction monitoring in flow synthesis
Beilstein J. Org. Chem. 2017, 13, 285–300, doi:10.3762/bjoc.13.31
- the composition and residence time for each experiment. This study showed the potential of the combined use of flow-chemistry, real-time on-line analysis, especially by flow-NMR, and design of experiments (DOE) for the characterization and self-optimization of chemical reactions. Conclusion Real-time
Self-optimisation and model-based design of experiments for developing a C–H activation flow process
Beilstein J. Org. Chem. 2017, 13, 150–163, doi:10.3762/bjoc.13.18
- recently described C(sp3)–H activation reaction to synthesise aziridines was used as a model reaction to demonstrate the methodology of developing a process model using model-based design of experiments (MBDoE) and self-optimisation approaches in flow. The two approaches are compared in terms of
- experimental efficiency. The self-optimisation approach required the least number of experiments to reach the specified objectives of cost and product yield, whereas the MBDoE approach enabled a rapid generation of a process model. Keywords: automated reaction system; C–H activation; design of experiments
- this is the complexity of chemistry and the duration of time required for the development of good mechanistic models. A game changer in this area is the recently emerged field of automated continuous-flow experiments driven by algorithms for sequential design of experiments (DoE), which significantly
Copper-catalysed asymmetric allylic alkylation of alkylzirconocenes to racemic 3,6-dihydro-2H-pyrans
Beilstein J. Org. Chem. 2015, 11, 2435–2443, doi:10.3762/bjoc.11.264
- assistance of a design of experiments statistical approach (83% ee, 12% yield). 1H NMR spectroscopy was used to gain insight into the reaction mechanisms. Keywords: allylic alkylation; asymmetric catalysis; copper; design of experiments; dynamic kinetic asymmetric transformation; heterocycles; Schwartz
- , entry 6). Design of experiments (DoE) [31][32][33][34][35][36][37] is a powerful tool for efficient screening and is commonly used in industry, since traditional one-factor-at-a-time optimization poorly covers the available parameter space and may not locate the most optimal conditions. As DoE rapidly
Integration of enabling methods for the automated flow preparation of piperazine-2-carboxamide
Beilstein J. Org. Chem. 2014, 10, 641–652, doi:10.3762/bjoc.10.56
- iteration would take 30–60 minutes; and the discrete nature of the available parameters (for example, the column temperature can only be set in units of 10 °C) mean that simple linear optimisation methods are not suitable [34]. Therefore, we decided to use a Design of Experiments [35][36][37][38] method to
Flow photochemistry: Old light through new windows
Beilstein J. Org. Chem. 2012, 8, 2025–2052, doi:10.3762/bjoc.8.229
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