Reconfigurable system for automated optimization of diverse chemical reactions

Bédard, Anne‐Catherine; Adamo, Andrea; Aroh, Kosi C.; Russell, M. Grace; Bedermann, Aaron A.; Torosian, Jeremy; Yue, Brian; Jensen, Klavs F.; Jamison, Timothy F.

doi:10.1126/science.aat0650

Cited by 396 publications

(356 citation statements)

References 41 publications

(48 reference statements)

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“…[15][16][17][18][19][20] A suspended hollow microchannel structure with a 3D controllable configuration can be fabricated in a way of either laser-assisted selective wet etching [21][22][23] or liquid-assisted laser ablation. [42,43] Especially, simultaneous fabrication of 3D embedded hollow microchannels with high aspect ratios and centimeter-scale glass objects with external arbitrary shapes on/in a single substrate still Large-scale microfluidic microsystems with complex 3D configurations are highly in demand by both fundamental research and industrial application, holding the potentials for fostering a wide range of innovative applications such as organ-on-a-chip as well as continuous-flow manufacturing. [27] Meanwhile, 3D printing of glass materials emerging in recent years brings some new opportunities for scalable fabrication of freeform glass structures by either additive manufacturing strategies [28][29][30][31][32][33] or laser subtractive processing methods.…”

mentioning

confidence: 99%

Freeform Microfluidic Networks Encapsulated in Laser‐Printed 3D Macroscale Glass Objects

Lin

Song

et al. 2020

Adv Materials Technologies

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and fine chemical industries. [1][2][3][4][5][6] As a core element of microfluidic technology, high-performance fabrication of hollow microchannels with freeform geometries is crucial for further developing innovative microfluidic technology. In particular, extension of the microfluidic networks from widely used 2D to 3D configurations has now been considered as a promising scheme to enhance the performance of manipulation of fluids such as high-efficiency mixing, separation, and detection. [7][8][9][10][11] Fused silica is one of the widely used substrates for the microfluidic technology in laboratory research and industrial applications due to its high melting point, high chemical stability, low thermal expansion coefficient, wide transmission spectral range, and good biocompatibility. However, fabrication of freeform 3D hollow microchannels in fused silica is still difficult for current 2D fabrication techniques in terms of complex and tedious fabrication procedures, additional costs for aligning, stacking, and bonding steps. [12][13][14] Currently, one of the most representative 3D microfabrication techniques of fused silica is ultrashort pulse laser microfabrication. [15][16][17][18][19][20] A suspended hollow microchannel structure with a 3D controllable configuration can be fabricated in a way of either laser-assisted selective wet etching [21][22][23] or liquid-assisted laser ablation. [24][25][26] In addition, suspended hollow structures with 3D shapes and a high precision in fused silica can be fabricated by combining room-temperature casting and sacrificial template replication. [27] Meanwhile, 3D printing of glass materials emerging in recent years brings some new opportunities for scalable fabrication of freeform glass structures by either additive manufacturing strategies [28][29][30][31][32][33] or laser subtractive processing methods. [34][35][36] However, controllable formation of freeform hollow microchannel with arbitrary length encapsulated in 3D printed glass structures has not yet been demonstrated, which is highly desirable for high-infidelity manufacturing of artificial organs, on-chip construction of biomimetic microenvironments, [37][38][39][40][41] as well as enrichment of the functions of continuous-flow microreactors (e.g., seamless integration of customized functional module for temperature control and on-line spectrometer monitoring). [42,43] Especially, simultaneous fabrication of 3D embedded hollow microchannels with high aspect ratios and centimeter-scale glass objects with external arbitrary shapes on/in a single substrate still Large-scale microfluidic microsystems with complex 3D configurations are highly in demand by both fundamental research and industrial application, holding the potentials for fostering a wide range of innovative applications such as organ-on-a-chip as well as continuous-flow manufacturing. However, freeform fabrication of such systems remains challenging for current fabrication techniques in terms of fabrication resolution, flexibility, and achievable foo...

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confidence: 99%

Freeform Microfluidic Networks Encapsulated in Laser‐Printed 3D Macroscale Glass Objects

Lin

Song

et al. 2020

Adv Materials Technologies

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“…For example, Bé dard and colleagues showed an automated-flow system for the optimization of many different types of chemical reactions, including Buchwald-Hartwig amination, Suzuki-Miyaura cross couplings, nucleophilic aromatic substitution (S N Ar), Horner-Wadsworth-Emmons olefination, and photoredox catalysis. The platform could be easily reconfigured to the desired task in a plugand-play fashion, by attaching different modules (e.g., a photo light-emitting diode or cooled reactor) to the platform core [16].…”

Section: Robotics For Automation and Optimization In Chemistrymentioning

confidence: 99%

Universal Chemical Synthesis and Discovery with ‘The Chemputer’

Gromski

Granda

Cronin

2020

Trends in Chemistry

115

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There is a growing drive in the chemistry community to exploit rapidly growing robotic technologies along with artificial intelligence-based approaches. Applying this to chemistry requires a holistic approach to chemical synthesis design and execution. Here, we outline a universal approach to this problem beginning with an abstract representation of the practice of chemical synthesis that then informs the programming and automation required for its practical realization. Using this foundation to construct closed-loop robotic chemical search engines, we can generate new discoveries that may be verified, optimized, and repeated entirely automatically. These robots can perform chemical reactions and analyses much faster than can be done manually. As such, this leads to a road map whereby molecules can be discovered, optimized, and made on demand from a digital code. Automation in Chemical SynthesisMethodologies for the automation of chemical synthesis, optimization, and discovery have not generally been designed for the realities of laboratory-based research, tending instead to focus on engineering solutions to practical problems. We argue that the potential of rapidly developing technologies (e.g., machine learning and robotics) are more fully realized by operating seamlessly with the way that synthetic chemists currently work ( Figure 1) [1]. This is because the organic chemist often works by thinking backwards as much as they do forwards when planning a synthetic procedure. To reproduce this fundamental mode of operation, a new universal approach to the automated exploration of chemical space is needed that combines an abstraction of chemical synthesis with robotic hardware and closed-loop programming [2,3]. However, this leads chemists to constantly test the reactions with different synthetic parameters and conditions. The alternative to this problem, as shown in this opinion article, is the development of an approach to universal chemistry using a programming language with automation in combination with machine learning and artificial intelligence (AI).Chemists already benefit from algorithms in the field of chemometrics and, therefore, automation is one step forward that might help chemists to navigate and search chemical space more quickly, efficiently, and importantly, without bias. Chemometrics is a field that employs a broad range of algorithms to solve chemistry-related problems and has been well established over the past 50 years [4]. Figure 2 presents a standard chemometrics workflow for processing data. The process begins with data that may be of various formats that depend upon the experiment type and/or posed question. The next step is data preprocessing, which covers a variety of procedures depending on the type of data analyzed (e.g., peak detection, input of missing data, and/or normalization). This process is followed by statistical modeling, which is divided into supervised and unsupervised approaches. Probably one of the most well-known unsupervised approaches is principal component analysis (s...

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“…1. a) Zuführung der Photokatalysatorsuspension zur Gas-Flüssig-Mischung; 4) b) Kohlenstoffnitrid (gelb) als fester Photokatalysator in den seriellen Mikro-Batch-Reaktoren; 4) 22) Das Massachusetts Institute of Technology stellte ein neues Gerätekonzept vor, in dem sich durch Plug-and-play-Einsatz verschiedener Reaktortypen -etwa geheizt, gekühlt, packed-bed, photochemischfluidische Trennmodule, Prozesssensorik, -analytik und -steuerung viele zum Teil zweistufige Reaktionen (gegebenenfalls ferngesteuert) durchführen und automatisch optimieren lassen (Abbildung 4). 23) Die autonome Selbstoptimierung eines sogar vierstufigen Reaktionsprozesses zeigten erstmals Felpin und Mitarbeiter, und zwar an der kontinuierlichen Naturstoffsynthese von Carpanon. 24 2019, 62 (1-4).…”

Section: Prozessanalyseunclassified