Smart coacervate catalysis: robotic optimization of Knoevenagel reaction networks.

IF 10.7 2区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Materials Horizons Pub Date : 2025-09-17 DOI:10.1039/d5mh00559k

Anna S Nebalueva, Danila V Ermolin, Alexandra P Dergacheva, Alexander S Novikov, Alexander A Nikolaev, Bogdan S Vahrushev, Artemii M Zenkin, Igor S Pantyukhin, Alexandr A Semenov, Aleksei V Meshkov, Anton A Muravev, Daria V Andreeva, Ekaterina V Skorb

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引用次数: 0

Abstract

The emergence of collaborative robotics and additive manufacturing of equipment consumables has had a significant impact on the development of chemical synthesis, biomedicine, the food industry, and agriculture. However, high cost hampers the application of collaborative robots in organic and physical chemistry. Here we suggest a low-cost 3D-printed robotic platform made from gripper and dispenser manipulators coupled with computer vision tools that provide full automation of the Knoevenagel reaction of barbituric acid with aromatic aldehydes, ranging from mixing of reagents to kinetic spectrophotometric monitoring. Screening of conditions of the Knoevenagel reaction between barbituric acid and aromatic aldehydes (reagent ratio, concentration and type of polyelectrolytes and interpolyelectrolyte complexes, as well as type of aromatic aldehyde) powered by the developed open-source Python-based software boosts the discovery of optimal conditions for enhanced reaction kinetics. Our robotic system performs dataset collection and discovers smart polyelectrolyte coacervate catalysis.

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智能凝聚催化：Knoevenagel反应网络的机器人优化。

协作机器人和设备耗材增材制造的出现对化学合成、生物医药、食品工业和农业的发展产生了重大影响。然而，高成本阻碍了协作机器人在有机化学和物理化学领域的应用。在这里，我们提出了一种低成本的3d打印机器人平台，该平台由夹具和分配器操纵器以及计算机视觉工具组成，可以提供巴比妥酸与芳香醛的Knoevenagel反应的完全自动化，从试剂混合到动力学分光光度监测。通过开发的基于python的开源软件，筛选巴比妥酸与芳香族醛之间的Knoevenagel反应条件（试剂比例，聚电解质和聚电解质间复合物的浓度和类型，以及芳香族醛的类型），有助于发现增强反应动力学的最佳条件。我们的机器人系统进行数据收集，并发现智能聚电解质凝聚催化。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Materials Horizons CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

18.90

自引率

2.30%

发文量

306

审稿时长

1.3 months

期刊介绍： Materials Horizons is a leading journal in materials science that focuses on publishing exceptionally high-quality and innovative research. The journal prioritizes original research that introduces new concepts or ways of thinking, rather than solely reporting technological advancements. However, groundbreaking articles featuring record-breaking material performance may also be published. To be considered for publication, the work must be of significant interest to our community-spanning readership. Starting from 2021, all articles published in Materials Horizons will be indexed in MEDLINE©. The journal publishes various types of articles, including Communications, Reviews, Opinion pieces, Focus articles, and Comments. It serves as a core journal for researchers from academia, government, and industry across all areas of materials research. Materials Horizons is a Transformative Journal and compliant with Plan S. It has an impact factor of 13.3 and is indexed in MEDLINE.