Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Process analytical technologies and self-optimization algorithms in automated pharmaceutical continuous manufacturing

P Liu, H Jin, Y Chen, D Wang, H Yan, M Wu… - Chinese Chemical …, 2024 - Elsevier
The pharmaceutical industry is now paying increased attention to continuous manufacturing.
While the revolution to continuous and automated manufacturing is deepening in most of the …

Continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimization with active learning

JH Dunlap, JG Ethier, AA Putnam-Neeb, S Iyer… - Chemical …, 2023 - pubs.rsc.org
We report a human-in-the-loop implementation of the multi-objective experimental design
via a Bayesian optimization platform (EDBO+) towards the optimization of butylpyridinium …

A machine learning-enabled process optimization of ultra-fast flow chemistry with multiple reaction metrics

D Karan, G Chen, N Jose, J Bai, P McDaid… - Reaction Chemistry & …, 2024 - pubs.rsc.org
Discovering the optimum process parameters of ultra-fast reactions, such as lithium–
halogen exchange reactions, is typically achieved by time and resource inefficient methods …

Robotic platform for accelerating the high-throughput study of silver nanocrystals in sensitive/selective Hg2+ detection

L Xing, Z Chen, W Chen, PK Chu, XF Yu… - Chemical Engineering …, 2023 - Elsevier
Colorimetric determination of trace mercury ions (Hg 2+) with high reproducibility and
sensitivity is urgently required for water safety and environmental monitoring. Herein, an …

Autonomous closed-loop photochemical reaction optimization for the synthesis of various angiotensin II receptor blocker molecules

D Aand, A Rana, A Mottafegh, DP Kim… - Reaction Chemistry & …, 2024 - pubs.rsc.org
Optimization is gaining huge attention in industries like pharmaceuticals, fine chemicals, and
petrochemicals to maximize reaction yield, minimize waste, and improve process efficiency …

[HTML][HTML] Chaotic-flow-driven mixing in T-and V-shaped micromixers

S Asano, S Kudo, J Hayashi - Chemical Engineering Journal, 2024 - Elsevier
T-and V-shaped (or arrow-shaped) micromixers enable the control of rapid chemical
reactions by permitting accelerated mixing. Their mixing performance has been extensively …

Self-optimizing Bayesian for continuous flow synthesis process

R Liu, Z Wang, W Yang, J Cao, S Tao - Digital Discovery, 2024 - pubs.rsc.org
The integration of artificial intelligence (AI) and chemistry has propelled the advancement of
continuous flow synthesis, facilitating program-controlled automatic process optimization …

Efficient multi-objective Bayesian optimization of gas–liquid photochemical reactions using an automated flow platform

S Desimpel, J Dijkmans, KPL Kuijpers… - Chemical Engineering …, 2024 - Elsevier
We developed an automated platform capable of performing photochemical gas–liquid
reactions. The platform was augmented with a state-of-the-art Bayesian optimization …

DigiChemTree enables programmable light-induced carbene generation for on demand chemical synthesis

A Rana, R Chauhan, A Mottafegh, DP Kim… - Communications …, 2024 - nature.com
The reproducibility of chemical reactions, when obtaining protocols from literature or
databases, is highly challenging for academicians, industry professionals and even now for …