Autonomous mobile robots for exploratory synthetic chemistry

Nature, Journal Year: 2024, Volume and Issue: 635(8040), P. 890 - 897

Published: Nov. 6, 2024

Abstract Autonomous laboratories can accelerate discoveries in chemical synthesis, but this requires automated measurements coupled with reliable decision-making 1,2 . Most autonomous involve bespoke equipment 3–6 , and reaction outcomes are often assessed using a single, hard-wired characterization technique 7 Any algorithms 8 must then operate narrow range of data 9,10 By contrast, manual experiments tend to draw on wider instruments characterize products, decisions rarely taken based one measurement alone. Here we show that synthesis laboratory be integrated into an by mobile robots 11–13 make human-like way. Our modular workflow combines robots, platform, liquid chromatography–mass spectrometer benchtop nuclear magnetic resonance spectrometer. This allows share existing human researchers without monopolizing it or requiring extensive redesign. A heuristic decision-maker processes the orthogonal data, selecting successful reactions take forward automatically checking reproducibility any screening hits. We exemplify approach three areas structural diversification chemistry, supramolecular host–guest chemistry photochemical synthesis. strategy is particularly suited exploratory yield multiple potential as for assemblies, where also extend method function assay evaluating binding properties.

Language: Английский

---

Human-algorithm collaborative Bayesian optimization for engineering systems

Computers & Chemical Engineering, Journal Year: 2024, Volume and Issue: 189, P. 108810 - 108810

Published: July 23, 2024

Language: Английский

---

Beyond symmetric self-assembly and effective molarity: unlocking functional enzyme mimics with robust organic cages

Beilstein Journal of Organic Chemistry, Journal Year: 2025, Volume and Issue: 21, P. 421 - 443

Published: Feb. 24, 2025

The bespoke environments in enzyme active sites can selectively accelerate chemical reactions by as much 1019. Macromolecular and supramolecular chemists have been inspired to understand mimic these accelerations selectivities for applications catalysis sustainable synthesis. Over the past 60+ years, mimicry strategies evolved with changing interests, understanding, synthetic advances but, ubiquitously, research has focused on use of a molecular "cavity". activities different cavities vary subset features available particular cavity type. Unsurprisingly, without access mimics able encompass more/all functional sites, examples cavity-catalyzed processes demonstrating enzyme-like rate remain rare. This perspective will briefly highlight some key traditional catalysis, type, order contextualize recent development robust organic cage catalysts, which exploit stability, functionality, reduced symmetry enable promising catalytic modes.

Language: Английский

---

Digital Metallo‐Supramolecular Chemistry

ChemistryEurope, Journal Year: 2025, Volume and Issue: unknown

Published: March 5, 2025

Abstract Metal‐organic cages (MOCs) are supramolecular assemblies designed through complex chemical and spatial reasoning. While creativity modelling have advanced greatly the engineering of new functional MOCs, their synthesis characterisation remained labour‐intensive. Recently, Cooper group developed a self‐driving laboratory system that automates building units host‐guest derivatives, benchtop instrumentation, robotics, heuristic decision‐making. The overall provides critical step towards merging digital chemistry.

Language: Английский

---

Fluorinated vs. non-fluorinated tetrahedral Tri4Tri4 porous organic cages for H2, CO2, and CH4 adsorption

Chemical Communications, Journal Year: 2024, Volume and Issue: 60(99), P. 14762 - 14765

Published: Jan. 1, 2024

The fluorinated Et4F4 and non-fluorinated Et4H4 were characterized using single-crystal X-ray diffraction sorption studies, revealing correlations in stability, porosity, selectivity due to structural electronic differences.

Language: Английский

---

(Self) assembled news: recent highlights from the supramolecular chemistry literature (quarter 2, 2024)

Supramolecular chemistry, Journal Year: 2023, Volume and Issue: 34(9-10), P. 313 - 315

Published: Oct. 2, 2023

Language: Английский

---