[HTML][HTML] Impact of modeling and simulation on pharmaceutical process development

J Kim, K Okamura, MR Gaddem, Y Hayashi… - Current Opinion in …, 2025 - Elsevier
This paper explores recent advancements and future directions in the application of
modeling and simulation for pharmaceutical process development. As the rising cost of …

Hybrid Modeling of an Active Pharmaceutical Ingredient Flow Synthesis in a Ring-Opening Reaction of an Epoxide with a Grignard Reagent

J Kim, Y Hayashi, S Badr, K Okamoto… - Industrial & …, 2023 - ACS Publications
This work presents hybrid modeling of an active pharmaceutical ingredient flow synthesis in
a ring-opening reaction of an epoxide with a Grignard reagent. Conducting this reaction in a …

Mechanistic insights into amination via nucleophilic aromatic substitution

J Kim, Y Hayashi, S Badr, K Okamoto… - Reaction Chemistry & …, 2023 - pubs.rsc.org
Extensive kinetic investigations were performed to identify novel reaction pathways and
assess their feasibility to resolve contradictions in the reported understanding of an …

A solvent-selection strategy for the hydrogenation reaction inside a tubular-flow reactor through a statistical approach

B Wahyudianto, T Yamaki, N Hara… - Reaction Chemistry & …, 2025 - pubs.rsc.org
Solvent selection is crucial for optimizing reaction outcomes of various reactions. Herein, we
conducted nitrobenzene hydrogenation in a tubular-flow reactor coated with a Pd/TiO2 …

Kinetic Study and Model-Based Design Space Determination for a Drug Substance Flow Synthesis Using an Amination Reaction via Nucleophilic Aromatic …

J Kim, Y Hayashi, S Badr, K Okamoto… - … Process Research & …, 2024 - ACS Publications
A kinetic study and model-based design space determination for drug substance flow
synthesis using an amination reaction are presented. A flow experiment was conducted to …