{"id":199286,"date":"2024-11-11T16:22:45","date_gmt":"2024-11-11T22:22:45","guid":{"rendered":"https:\/\/lifeboat.com\/blog\/2024\/11\/autonomous-mobile-robots-for-exploratory-synthetic-chemistry"},"modified":"2024-11-11T16:22:45","modified_gmt":"2024-11-11T22:22:45","slug":"autonomous-mobile-robots-for-exploratory-synthetic-chemistry","status":"publish","type":"post","link":"https:\/\/lifeboat.com\/blog\/2024\/11\/autonomous-mobile-robots-for-exploratory-synthetic-chemistry","title":{"rendered":"Autonomous mobile robots for exploratory synthetic chemistry"},"content":{"rendered":"<p style=\"padding-right: 20px\"><a class=\"aligncenter blog-photo\" href=\"https:\/\/lifeboat.com\/blog.images\/autonomous-mobile-robots-for-exploratory-synthetic-chemistry.jpg\"><\/a><\/p>\n<p>Autonomous laboratories can accelerate discoveries in chemical synthesis, but this requires automated measurements coupled with reliable decision-making.<\/p>\n<hr>\n<p>Much progress has been made towards diversifying automated synthesis platforms<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 4\" title=\"Steiner, S. et al. Organic synthesis in a modular robotic system driven by a chemical programming language. Science 363, eaav2211 (2019).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR4\" id=\"ref-link-section-d22513392e495\">4<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 5\" title=\"Coley, C. W. et al. A robotic platform for flow synthesis of organic compounds informed by AI planning. Science 365, eaax1566 (2019).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR5\" id=\"ref-link-section-d22513392e498\">5<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 19\" title=\"Blair, D. J. et al. Automated iterative Csp3&ndash;C bond formation. Nature 604, 92&ndash;97 (2022).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR19\" id=\"ref-link-section-d22513392e501\">19<\/a><\/sup> and increasing their autonomous capabilities<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 9\" title=\"Szymanski, N. J. et al. An autonomous laboratory for the accelerated synthesis of novel materials. Nature 624, 86&ndash;91 (2023).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR9\" id=\"ref-link-section-d22513392e505\">9<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 14\" title=\"Koscher, B. A. et al. Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back. Science 382, eadi1407 (2023).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR14\" id=\"ref-link-section-d22513392e508\">14<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 15\" title=\"Bayley, O., Savino, E., Slattery, A. & No\u00ebl, T. Autonomous chemistry: navigating self-driving labs in chemical and material sciences. Matter 7, 2382&ndash;2398 (2024).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR15\" id=\"ref-link-section-d22513392e511\">15<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" title=\"Angello, N. H. et al. Closed-loop optimization of general reaction conditions for heteroaryl Suzuki&ndash;Miyaura coupling. Science 378399&ndash;405 (2022).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR20\" id=\"ref-link-section-d22513392e514\">20<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" title=\"MacLeod, B. P. et al. Self-driving laboratory for accelerated discovery of thin-film materials. Sci. Adv. 6, eaaz8867 (2020).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR21\" id=\"ref-link-section-d22513392e514_1\">21<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 22\" title=\"Jiang, Y. et al. An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterials. Sci. Adv. 8, eabo2626 (2022).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR22\" id=\"ref-link-section-d22513392e517\">22<\/a><\/sup>. So far, most platforms use bespoke engineering and physically integrated analytical equipment<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 6\" title=\"Chatterjee, S., Guidi, M., Seeberger, P. H. & Gilmore, K. Automated radial synthesis of organic molecules. Nature 579379&ndash;384 (2020).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR6\" id=\"ref-link-section-d22513392e521\">6<\/a><\/sup>. The associated cost, complexity and proximal monopolization of analytical equipment means that single, fixed characterization techniques are often favoured in automated workflows, rather than drawing on the wider array of analytical techniques available in most synthetic laboratories. This forces any decision-making algorithms to operate with limited analytical information, unlike more multifaceted manual approaches. Hence, closed-loop autonomous chemical synthesis often bears little resemblance to human experimentation, either in the laboratory infrastructure required or in the decision-making steps.<\/p>\n<p>We showed previously<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 11\" title=\"Burger, B. et al. A mobile robotic chemist. Nature 583237&ndash;241 (2020).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR11\" id=\"ref-link-section-d22513392e528\">11<\/a><\/sup> that free-roaming mobile robots could be integrated into existing laboratories to perform experiments by emulating the physical operations of human scientists. However, that first workflow was limited to one specific type of chemistry\u2014photochemical hydrogen evolution\u2014and the only measurement available was gas chromatography, which gives a simple scalar output. Subsequent studies involving mobile robots also focused on the optimization of catalyst performance<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 12\" title=\"Zhu, Q. et al. An all-round AI-Chemist with a scientific mind. Natl Sci. Rev. 9, nwac190 (2022).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR12\" id=\"ref-link-section-d22513392e532\">12<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 13\" title=\"Zhu, Q. et al. Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist. Nat. Synth. 3319&ndash;328 (2023).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR13\" id=\"ref-link-section-d22513392e535\">13<\/a><\/sup>. These benchtop catalysis workflows<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" title=\"Burger, B. et al. A mobile robotic chemist. Nature 583237&ndash;241 (2020).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR11\" id=\"ref-link-section-d22513392e539\">11<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" title=\"Zhu, Q. et al. An all-round AI-Chemist with a scientific mind. Natl Sci. Rev. 9, nwac190 (2022).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR12\" id=\"ref-link-section-d22513392e539_1\">12<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 13\" title=\"Zhu, Q. et al. Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist. Nat. Synth. 3319&ndash;328 (2023).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR13\" id=\"ref-link-section-d22513392e542\">13<\/a><\/sup> cannot carry out more general synthetic chemistry, for example, involving organic solvents, nor can they measure and interpret more complex characterization data, such as NMR spectra. The algorithmic decision-making was limited to maximizing catalyst performance<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 11\" title=\"Burger, B. et al. A mobile robotic chemist. Nature 583237&ndash;241 (2020).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR11\" id=\"ref-link-section-d22513392e546\">11<\/a><\/sup>, which is analogous to autonomous synthesis platforms that maximize yield for a reaction using NMR<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 23\" title=\"Slattery, A. et al. Automated self-optimization, intensification, and scale-up of photocatalysis in flow. Science 383, eadj1817 (2024).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR23\" id=\"ref-link-section-d22513392e550\">23<\/a><\/sup> or chromatographic<sup><a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 10\" title=\"Ha, T. et al. AI-driven robotic chemist for autonomous synthesis of organic molecules. Sci. Adv. 9, eadj0461 (2023).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR10\" id=\"ref-link-section-d22513392e555\">10<\/a>,<a data-track=\"click\" data-track-action=\"reference anchor\" data-track-label=\"link\" data-test=\"citation-ref\" aria-label=\"Reference 24\" title=\"Christensen, M. et al. Data-science driven autonomous process optimization. Commun. Chem. 4,112 (2021).\" href=\"https:\/\/www.nature.com\/articles\/s41586-024-08173-7#ref-CR24\" id=\"ref-link-section-d22513392e558\">24<\/a><\/sup> peak areas.<\/p>\n<p>Here we present a modular autonomous platform for general exploratory synthetic chemistry. It uses mobile robots to operate a Chemspeed ISynth synthesis platform, an ultrahigh-performance liquid chromatography\u2013mass spectrometer (UPLC-MS) and a benchtop NMR spectrometer. This modular laboratory workflow is inherently expandable to include other equipment, as shown here by the addition of a standard commercial photoreactor.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Autonomous laboratories can accelerate discoveries in chemical synthesis, but this requires automated measurements coupled with reliable decision-making. Much progress has been made towards diversifying automated synthesis platforms4,5,19 and increasing their autonomous capabilities9,14,15,20,21,22. So far, most platforms use bespoke engineering and physically integrated analytical equipment6. The associated cost, complexity and proximal monopolization of analytical equipment means [\u2026]<\/p>\n","protected":false},"author":534,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[19,41,6],"tags":[],"class_list":["post-199286","post","type-post","status-publish","format-standard","hentry","category-chemistry","category-information-science","category-robotics-ai"],"_links":{"self":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/199286","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/users\/534"}],"replies":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/comments?post=199286"}],"version-history":[{"count":0,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/199286\/revisions"}],"wp:attachment":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/media?parent=199286"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/categories?post=199286"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/tags?post=199286"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}