Production and evaluation of high-throughput reaction data from an automated chemical synthesis platform DOI
L. Zhong, Yiming Xu, Xinghai Li

et al.

Science China Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: May 26, 2025

Language: Английский

Synthetic Aspects and Characterization Needs in MOF Chemistry – from Discovery to Applications DOI Creative Commons
Bastian Achenbach, Aysu Yurduşen, Norbert Stock

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 7, 2025

Even if MOFs are recently developed for large-scale applications, the road to applications of is long and rocky. This requires overcome challenges associated with phase discovery, synthesis optimization, basic advanced characterization, computational studies. Lab-scale results need be transferred processes, which often not trivial, life-cycle analyses techno-economic performed realistically assess their potential industrial relevance. Based on experience in field stable, functional combining synthesis, modeling, this mini-review gives recommendations especially non-specialists, example, from chemical engineers medical doctors, accelerate facilitate knowledge transfer will ultimately lead application MOFs. The include reporting characterization data as well standardization detailed information required mining machine learning techniques, increasingly used discovery new materials analysis. Once a suitable MOF identified its key properties determined, translational studies shall finally carried out collaboration end-users validate performance under real conditions allow understanding processes involved.

Language: Английский

Citations

1

Artificial Intelligence Meets Laboratory Automation in Discovery and Synthesis of Metal–Organic Frameworks: A Review DOI
Yiming Zhao,

Yongjia Zhao,

Jian Wang

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2025, Volume and Issue: 64(9), P. 4637 - 4668

Published: Feb. 24, 2025

This review discusses the transformative impact of convergence artificial intelligence (AI) and laboratory automation on discovery synthesis metal–organic frameworks (MOFs). MOFs, known for their tunable structures extensive applications in fields such as energy storage, drug delivery, environmental remediation, pose significant challenges due to complex processes high structural diversity. Laboratory has streamlined repetitive tasks, enabled high-throughput screening reaction conditions, accelerated optimization protocols. The integration AI, particularly Transformers large language models (LLMs), further revolutionized MOF research by analyzing massive data sets, predicting material properties, guiding experimental design. emergence self-driving laboratories (SDLs), where AI-driven decision-making is coupled with automated experimentation, represents next frontier research. While remain fully realizing potential this synergistic approach, AI heralds a new era efficiency innovation engineering materials.

Language: Английский

Citations

1

Digital Metallo‐Supramolecular Chemistry DOI Creative Commons
Aleksandar Kondinski

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

Citations

1

Grow AI virtual cells: three data pillars and closed-loop learning DOI Creative Commons
Liujia Qian, Zhen Dong, Tiannan Guo

et al.

Cell Research, Journal Year: 2025, Volume and Issue: unknown

Published: March 25, 2025

Language: Английский

Citations

1

Lab-on-Robot: Unmanned Mass Spectrometry Robot for Direct Sample Analysis in Hazardous and Radioactive Environments DOI
Ximeng Liu, Xuan Liu, Boping Li

et al.

Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 9, 2025

Onsite, safe, and reliable mass spectrometry (MS) analysis of hazardous radioactive samples plays a crucial role in timely chemical emergency management response real environments. The current study reports the development smart MS robot by integrating miniature MS, quadruped robot, switchable robotic arm sampler, direct ionization for remote-controlled complex inaccessible High automation excellent analytical performance have been achieved real-time volatile toxic substances air onsite detection explosive particles aerosols. Successful compounds has performed from raw wastewater. ore also demonstrated. Low limits at ng/g or ng/mL (signal-to-noise ratio, S/N = 3) good relative standard deviation (RSD < 12.0%, n 6) were obtained analyzing different gaseous, aerosol, liquid, solid samples. remote results further validated. reported encourages future lab-on-robot, which functions with operation to replace traditional laboratory procedures dangerous environmental

Language: Английский

Citations

1

A guided review of machine learning in the design and application for pore nanoarchitectonics of carbon materials DOI
Chuang Wang, Xingxing Cheng, Kai Luo

et al.

Materials Science and Engineering R Reports, Journal Year: 2025, Volume and Issue: 165, P. 101010 - 101010

Published: May 3, 2025

Language: Английский

Citations

1

(Self) assembled news: recent highlights from the supramolecular chemistry literature (Quarter 4, 2024) DOI
Cally J. E. Haynes, Nicholas G. White

Supramolecular chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 3

Published: Jan. 6, 2025

Language: Английский

Citations

0

Reliable and robust robotic handling of microplates via computer vision and touch feedback DOI Creative Commons
Vincenzo Scamarcio, Jasper Tan, Francesco Stellacci

et al.

Frontiers in Robotics and AI, Journal Year: 2025, Volume and Issue: 11

Published: Jan. 7, 2025

Laboratory automation requires reliable and precise handling of microplates, but existing robotic systems often struggle to achieve this, particularly when navigating around the dynamic variable nature laboratory environments. This work introduces a novel method integrating simultaneous localization mapping (SLAM), computer vision, tactile feedback for autonomous placement microplates. Implemented on bi-manual mobile robot, achieves fine-positioning accuracies ± 1.2 mm 0.4°. The approach was validated through experiments using both mockup real instruments, demonstrating at least 95% success rate across varied conditions robust performance in multi-stage protocol. Compared methods, our framework effectively generalizes different instruments without compromising efficiency. These findings highlight potential enhanced manipulation automation, paving way more reproducible experimental workflows.

Language: Английский

Citations

0

Beyond symmetric self-assembly and effective molarity: unlocking functional enzyme mimics with robust organic cages DOI Creative Commons
Keith G. Andrews

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

Citations

0

Automated Retrosynthesis Planning of Macromolecules Using Large Language Models and Knowledge Graphs DOI Open Access
Qing Ma, Yuhao Zhou, Jianfeng Li

et al.

Macromolecular Rapid Communications, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 27, 2025

Abstract Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly polymer science, due to the intricate and often nonunique nomenclature of macromolecules. To address this challenge, an agent system that integrates large language models (LLMs) knowledge graphs proposed. By leveraging LLMs' powerful capabilities for extracting recognizing chemical substance names, storing extracted data structured graph, fully automates retrieval relevant literature, extraction reaction data, database querying, construction retrosynthetic pathway trees, further expansion through additional literature recommendation optimal pathways. considering interdependencies among reactants, novel Multi‐branched Reaction Pathway Search Algorithm (MBRPS) proposed help identify all valid multi‐branched pathways, which arise when single product decomposes into multiple intermediates. In contrast, previous studies are limited cases where at most one intermediate. This work represents first attempt develop automated retrosynthesis planning tailored specially macromolecules powered by LLMs. Applied polyimide synthesis, new approach constructs tree with hundreds recommends optimized routes, including both known

Language: Английский

Citations

0