Homogeneous continuous flow nitration of O-methylisouronium sulfate and its optimization by kinetic modeling

• Jiapeng Guo,
• Weike Su and
• An Su

Beilstein J. Org. Chem. 2024, 20, 2408–2420, doi:10.3762/bjoc.20.205

• 94%, initial reactant concentration of 0.5 mol/L, reaction temperature of 40 °C, molar ratio of reactants at 4.4:1, and a residence time of 12.36 minutes. Keywords: continuous flow; kinetic modeling; nitration; reaction optimization; static mixer; Introduction The demand for high-quality

• continuous flow nitrification system, leading to better elimination of the effects of mass and heat transfer [11]. Kinetic modeling is a classical approach to chemical reaction optimization, where the effects of various reaction parameters on the results are effectively quantified by mathematical formulas

• , thus providing an efficient guide to optimize reaction conditions [12]. Taylor et al. [13] and Bures et al. [14] have performed kinetic modeling with data collected from continuous flow systems with automated platforms. Yao et al. constructed a kinetic model on thermal dissociation and oligomerization

Insight into oral amphiphilic cyclodextrin nanoparticles for colorectal cancer: comprehensive mathematical model of drug release kinetic studies and antitumoral efficacy in 3D spheroid colon tumors

• Sedat Ünal,
• Gamze Varan,
• Juan M. Benito,
• Yeşim Aktaş and
• Erem Bilensoy

Beilstein J. Org. Chem. 2023, 19, 139–157, doi:10.3762/bjoc.19.14

• mathematically by release kinetic modeling for the first time. The overall findings indicated that the strategy of orally targeting anticancer drugs such as CPT with positively charged poly-β-CD-C6 nanoparticles to colon tumors for local and/or systemic efficacy is a promising approach. Keywords: colorectal

• -parenteral route. In this context, release kinetic modeling studies and 3D cell culture studies of colon carcinoma cells of mice and human origin were carried out for the first time for CPT-loaded positively charged β-CD nanoparticles with different formulations. A positive surface charge was achieved

• achieve this, a thorough and in-depth release kinetic study was conducted, and the parameters were compared for the GIT conditions. Table 1 displays the findings of the release kinetic modeling studies and graphical reports are presented in Figure 2, Figure 3, and Figure 4. Figures 2–4 show that the

Self-optimisation and model-based design of experiments for developing a C–H activation flow process

• Alexander Echtermeyer,
• Yehia Amar,
• Jacek Zakrzewski and
• Alexei Lapkin

Beilstein J. Org. Chem. 2017, 13, 150–163, doi:10.3762/bjoc.13.18

• demonstrate an MBDoE approach on the basis of the model structure and the initial model parameters from DFT calculations and using automated flow experiments. We then use the obtained process model to develop a surrogate model for optimisation, and compare the different methodologies: classical kinetic

• modeling approach, MBDoE with automated flow experiments and black-box optimisation in achieving the different objectives of the methods. Results and Discussion Experimental system for model development and optimisation in flow Although a number of experimental systems for self-optimisation were reported

A new charge-tagged proline-based organocatalyst for mechanistic studies using electrospray mass spectrometry

• J. Alexander Willms,
• Rita Beel,
• Martin L. Schmidt,
• Christian Mundt and
• Marianne Engeser

Beilstein J. Org. Chem. 2014, 10, 2027–2037, doi:10.3762/bjoc.10.211

• picture of the reaction behaviour and show that the use of catalyst 1 is suitable for the examination of L-proline-catalyzed reactions via ESIMS. However, we refrain from a quantitative kinetic modeling of the data to extract rate constants [8] because we encountered certain limitations of the method