Accelerating reaction modeling using dynamic flow experiments, part 1: design space exploration

Peter Sagmeister, Christine Schiller, Peter Weiss, Klara Silber, Sebastian Knoll, Martin Horn, Christopher A. Hone, Jason D. Williams and C. Oliver Kappe

React. Chem. Eng., 2023, 8, 2818
DOI: 10.1039/D3RE00243H

Simultaneous reaction- and analytical model building using dynamic flow experiments to accelerate process development

Peter Sagmeister, Lukas Melnizky, Jason D. Williams and C. Oliver Kappe

Chem. Sci., 2024, 15, 12523
DOI: 10.1039/D4SC01703J

Dynamic experiments in flow accelerate reaction network definition in a complex hydrogenation using catalytic static mixers

Stefano Martinuzzi, Markus Tranninger, Peter Sagmeister, Martin Horn, Jason D. Williams and C. Oliver Kappe

React. Chem. Eng., 2024, 9, 132
DOI: 10.1039/D3RE00451A

Dynamic flow experiments for Bayesian optimization of a single process objective

Federico Florit, Kakasaheb Y. Nandiwale, Cameron T. Armstrong, Katharina Grohowalski, Angel R. Diaz, Jason Mustakis, Steven M. Guinness and Klavs F. Jensen

React. Chem. Eng., 2025, 10, 656
DOI: 10.1039/D4RE00543K

Combination of near-infrared spectroscopy and a transient flow method for efficient kinetic analysis of the Claisen rearrangement

Yoshihiro Takebayashi, Kiwamu Sue and Sho Kataoka

React. Chem. Eng., 2024, 9, 2975
DOI: 10.1039/D4RE00301B

Roles of mechanistic, data-driven, and hybrid modeling approaches for pharmaceutical process design and operation

Mohamed Rami Gaddem, Junu Kim, Kensaku Matsunami, Yusuke Hayashi, Sara Badr and Hirokazu Sugiyama

Current Opinion in Chemical Engineering, 2024, 44, 101019
DOI: 10.1016/j.coche.2024.101019

The role of flow chemistry in self-driving labs

Nikolai Mukhin, Pragyan Jha and Milad Abolhasani

Matter, 2025, 8, 102205
DOI: 10.1016/j.matt.2025.102205

Model-based disturbance-conscious design space exploration for drug substance flow synthesis using the Grignard reaction

Junu Kim, Yusuke Hayashi, Sara Badr, Kazuya Okamoto, Toshikazu Hakogi, Hayao Nakanishi and Hirokazu Sugiyama

Chemical Engineering Science, 2026, 319, 122281
DOI: 10.1016/j.ces.2025.122281

Quality by digital design for accelerated sustainable nanomedicine development

Yousef Ijjeh, Nowar Alsarayreh, Alaa Rifai, Hiba Abdelnabi, Sara Al-Mahamid, Dana A. Alqudah, Hamdi Nsairat, Zainab Lafi, Mohamad Ak Mousa, Yusuf Al-Hiari and Walhan Alshaer

European Journal of Pharmaceutical Sciences, 2025, 213, 107239
DOI: 10.1016/j.ejps.2025.107239

Dynamic flow experiments for data-rich optimization

Jason D. Williams, Peter Sagmeister and C. Oliver Kappe

Current Opinion in Green and Sustainable Chemistry, 2024, 47, 100921
DOI: 10.1016/j.cogsc.2024.100921

Impact of modeling and simulation on pharmaceutical process development

Junu Kim, Kozue Okamura, Mohamed Rami Gaddem, Yusuke Hayashi, Sara Badr and Hirokazu Sugiyama

Current Opinion in Chemical Engineering, 2025, 47, 101093
DOI: 10.1016/j.coche.2025.101093

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

Junu Kim, Yusuke Hayashi, Sara Badr, Kazuya Okamoto, Toshikazu Hakogi, Haruo Furukawa, Satoshi Yoshikawa, Hayao Nakanishi and Hirokazu Sugiyama

Org. Process Res. Dev., 2024, 28, 1793
DOI: 10.1021/acs.oprd.3c00380