SMART-POM SIGNED
Artificial-Intelligence Driven Discovery and Synthesis of Polyoxometalate Clusters
Total Cost €
0EC-Contrib. €
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Project "SMART-POM" data sheet
The following table provides information about the project.
| Coordinator |
UNIVERSITY OF GLASGOW
Organization address contact info |
| Coordinator Country | United Kingdom [UK] |
| Project website | http://www.chem.gla.ac.uk/cronin/ |
| Total cost | 2˙464˙532 € |
| EC max contribution | 2˙464˙532 € (100%) |
| Programme |
1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC)) |
| Code Call | ERC-2014-ADG |
| Funding Scheme | ERC-ADG |
| Starting year | 2015 |
| Duration (year-month-day) | from 2015-11-01 to 2020-10-31 |
Partnership
Take a look of project's partnership.
| # | ||||
|---|---|---|---|---|
| 1 | UNIVERSITY OF GLASGOW | UK (GLASGOW) | coordinator | 2˙464˙532.00 |
Map
Project objective
We outline a 5 year programme that introduces a new platform for the preparation, understanding, and exploitation of precisely defined nano-molecules / materials based upon the assembly of molecular metal oxide precursors (polyoxometalates) under non-equilibrium conditions with well-defined physical properties using automated intelligent feedback. We will elucidate the mechanism of assembly of these gigantic molecules and devise a set of rules similar to the magic numbers found in gold nanoclusters, using these to break the 10 nm size barrier for a single molecule. Targeted properties include photochemical and electrochemical sensors, bistable molecules, doped traditional oxides with polyoxometalates, and new catalysts including water oxidation via a Universal Building Block (UBB) approach that links properties of the building blocks with emergent properties of the resulting clusters and materials for the first time. The new approach includes the conversion of batch to flow synthesis not only for automation, but to understand fundamental mechanistic aspects, and to use artificial intelligence algorithms to help move through the myriad of possible combinations (without needing to synthesise every possible molecule). The SMART-POM approach is therefore not merely automation of one-pot chemistry, but an entirely new paradigm building on our recent developments and will allow us to move through a vast combinatorial space effectively only locating areas of novelty via feedback control. This feedback will be used to discover, design, and develop complex, adaptive and functional metal oxide-based materials based upon sensory feedback from the physical properties measurements. Thus SMART-POM will open up a whole new synthetic space, give mechanistic understanding, and allow the discovery of molecules with potential real-world applications. Finally, we will aim to extend the SMART-POM paradigm to other areas of chemistry which will benefit from the search for novelty.
Publications
| year | authors and title | journal | last update |
|---|---|---|---|
| 2018 |
Jan K. Szymański, Yousef M. Abul-Haija, Leroy Cronin Exploring Strategies To Bias Sequence in Natural and Synthetic Oligomers and Polymers published pages: 649-658, ISSN: 0001-4842, DOI: 10.1021/acs.accounts.7b00495 |
Accounts of Chemical Research 51/3 | 2019-07-05 |
| 2017 |
Vladislav Kulikov, Naomi A. B. Johnson, Andrew J. Surman, Marie Hutin, Sharon M. Kelly, Mohammed Hezwani, De-Liang Long, Gerd Meyer, Leroy Cronin Spontaneous Assembly of an Organic-Inorganic Nucleic Acid Z-DNA Double-Helix Structure published pages: 1141-1145, ISSN: 1433-7851, DOI: 10.1002/anie.201606658 |
Angewandte Chemie International Edition 56/4 | 2019-07-05 |
| 2016 |
Lorna G. Christie, Andrew J. Surman, Rachel A. Scullion, Feng Xu, De-Liang Long, Leroy Cronin Overcoming the Crystallization Bottleneck: A Family of Gigantic Inorganic {Pd x } L ( x= 84, 72) Palladium Macrocycles Discovered using Solution Techniques published pages: 12741-12745, ISSN: 1433-7851, DOI: 10.1002/anie.201606005 |
Angewandte Chemie International Edition 55/41 | 2019-07-05 |
| 2018 |
Qi Zheng, Laia Vilà -Nadal, Zhongling Lang, Jia-Jia Chen, De-Liang Long, Jennifer S. Mathieson, Josep M. Poblet, Leroy Cronin Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters published pages: 2595-2601, ISSN: 0002-7863, DOI: 10.1021/jacs.7b11982 |
Journal of the American Chemical Society 140/7 | 2019-07-05 |
| 2016 |
Philip J Kitson, Stefan Glatzel, Leroy Cronin The digital code driven autonomous synthesis of ibuprofen automated in a 3D-printer-based robot published pages: 2776-2783, ISSN: 1860-5397, DOI: 10.3762/bjoc.12.276 |
Beilstein Journal of Organic Chemistry 12 | 2019-07-05 |
| 2016 |
Andrew J. Surman, Philip J. Robbins, Jakub Ujma, Qi Zheng, Perdita. E. Barran, Leroy Cronin Sizing and Discovery of Nanosized Polyoxometalate Clusters by Mass Spectrometry published pages: 3824-3830, ISSN: 0002-7863, DOI: 10.1021/jacs.6b00070 |
Journal of the American Chemical Society 138/11 | 2019-07-05 |
| 2016 |
Weimin Xuan, Andrew J. Surman, Qi Zheng, De-Liang Long, Leroy Cronin Self-Templating and In Situ Assembly of a Cubic Cluster-of-Clusters Architecture Based on a {Mo 24 Fe 12 } Inorganic Macrocycle published pages: 12703-12707, ISSN: 1433-7851, DOI: 10.1002/anie.201603298 |
Angewandte Chemie International Edition 55/41 | 2019-07-05 |
| 2017 |
Andreu Ruiz de la Oliva, Victor Sans, Haralampos N. Miras, De-Liang Long, Leroy Cronin Coding the Assembly of Polyoxotungstates with a Programmable Reaction System published pages: 5089-5095, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.7b00206 |
Inorganic Chemistry 56/9 | 2019-07-05 |
| 2017 |
Mari Yoshida, Sabrina Galiñanes Reyes, Soichiro Tsuda, Takaaki Horinouchi, Chikara Furusawa, Leroy Cronin Time-programmable drug dosing allows the manipulation, suppression and reversal of antibiotic drug resistance in vitro published pages: 15589, ISSN: 2041-1723, DOI: 10.1038/ncomms15589 |
Nature Communications 8 | 2019-07-05 |
| 2017 |
Caihong Zhan, Christoph Busche, De-Liang Long, Pedro I. Molina, Ross S. Winter, Leroy Cronin Encapsulation of a {Cu 16 } cluster containing four [Cu 4 O 4 ] cubanes within an isopolyoxometalate {W 44 } cluster published pages: 7076-7079, ISSN: 1359-7345, DOI: 10.1039/C7CC03544F |
Chemical Communications 53/52 | 2019-07-05 |
| 2017 |
Weimin Xuan, Robert Pow, De-Liang Long, Leroy Cronin Exploring the Molecular Growth of Two Gigantic Half-Closed Polyoxometalate Clusters {Mo 180 } and {Mo 130 Ce 6 } published pages: 9727-9731, ISSN: 1433-7851, DOI: 10.1002/anie.201702957 |
Angewandte Chemie International Edition 56/33 | 2019-07-05 |
| 2016 |
Masaru Fujibayashi, Yu-Fei Song, Leroy Cronin, Ryo Tsunashima Exploring the solvent mediated assembly and redox activity of a POM–organic hybrid [Na(SO 3 ) 2 (PhPO 3 ) 4 MoV4MoVI14O 49 ] 5− published pages: 8488-8492, ISSN: 1144-0546, DOI: 10.1039/C6NJ01774F |
New Journal of Chemistry 40/10 | 2019-07-05 |
| 2016 |
Mercè Martin-Sabi, Ross Stuart Winter, Claire Lydon, Jamie M. Cameron, De-Liang Long, Leroy Cronin Rearrangement of {α-P 2 W 15 } to {PW 6 } moieties during the assembly of transition-metal-linked polyoxometalate clusters published pages: 919-921, ISSN: 1359-7345, DOI: 10.1039/C5CC08486E |
Chemical Communications 52/5 | 2019-07-05 |
| 2017 |
Geoffrey J. T. Cooper, Andrew J. Surman, Jim McIver, Stephanie M. Colón-Santos, Piotr S. Gromski, Saskia Buchwald, Irene Suárez Marina, Leroy Cronin Miller-Urey Spark-Discharge Experiments in the Deuterium World published pages: 8079-8082, ISSN: 1433-7851, DOI: 10.1002/anie.201610837 |
Angewandte Chemie International Edition 56/28 | 2019-07-05 |
| 2018 |
Philip J. Kitson, Guillaume Marie, Jean-Patrick Francoia, Sergey S. Zalesskiy, Ralph C. Sigerson, Jennifer S. Mathieson, Leroy Cronin Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals published pages: 314-319, ISSN: 0036-8075, DOI: 10.1126/science.aao3466 |
Science 359/6373 | 2019-07-05 |
| 2018 |
Mercè Martin-Sabi, JoaquÃn Soriano-López, Ross S. Winter, Jia-Jia Chen, Laia Vilà -Nadal, De-Liang Long, José Ramón Galán-Mascarós, Leroy Cronin Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction published pages: 208-213, ISSN: 2520-1158, DOI: 10.1038/s41929-018-0037-1 |
Nature Catalysis 1/3 | 2019-07-05 |
| 2018 |
Jian Chuan Ye, Jia Jia Chen, Ru Ming Yuan, Ding Rong Deng, Ming Sen Zheng, Leroy Cronin, Quan Feng Dong Strategies to Explore and Develop Reversible Redox Reactions of Li–S in Electrode Architectures Using Silver-Polyoxometalate Clusters published pages: 3134-3138, ISSN: 0002-7863, DOI: 10.1021/jacs.8b00411 |
Journal of the American Chemical Society 140/8 | 2019-07-05 |
| 2016 |
Yohei Takashima, Haralampos N. Miras, Stefan Glatzel, Leroy Cronin Shrink wrapping redox-active crystals of polyoxometalate open frameworks with organic polymers via crystal induced polymerisation published pages: 7794-7797, ISSN: 1359-7345, DOI: 10.1039/C6CC03031A |
Chemical Communications 52/50 | 2019-07-05 |
| 2016 |
Victor Sans, Leroy Cronin Towards dial-a-molecule by integrating continuous flow, analytics and self-optimisation published pages: 2032-2043, ISSN: 0306-0012, DOI: 10.1039/C5CS00793C |
Chemical Society Reviews 45/8 | 2019-07-05 |
| 2018 |
Harikleia Sartzi, De-Liang Long, Stephen Sproules, Leroy Cronin, Haralampos N. Miras Directed Self-Assembly, Symmetry Breaking, and Electronic Modulation of Metal Oxide Clusters by Pyramidal Heteroanions published pages: 4399-4411, ISSN: 0947-6539, DOI: 10.1002/chem.201705711 |
Chemistry - A European Journal 24/17 | 2019-07-05 |
| 2018 |
Niall Kirkaldy, Greig Chisholm, Jia-Jia Chen, Leroy Cronin A practical, organic-mediated, hybrid electrolyser that decouples hydrogen production at high current densities published pages: 1621-1626, ISSN: 2041-6520, DOI: 10.1039/C7SC05388F |
Chemical Science 9/6 | 2019-07-05 |
| 2018 |
Laurie J. Points, James Ward Taylor, Jonathan Grizou, Kevin Donkers, Leroy Cronin Artificial intelligence exploration of unstable protocells leads to predictable properties and discovery of collective behavior published pages: 885-890, ISSN: 0027-8424, DOI: 10.1073/pnas.1711089115 |
Proceedings of the National Academy of Sciences 115/5 | 2019-07-05 |
| 2016 |
Hongying Zang, Andrew Surman, Deliang Long, Leroy Cronin, Haralampos N. Miras Exploiting the equilibrium dynamics in the self-assembly of inorganic macrocycles based upon polyoxothiometalate building blocks published pages: 9109-9112, ISSN: 1359-7345, DOI: 10.1039/C6CC01041E |
Chemical Communications 52/58 | 2019-07-05 |
| 2016 |
Jamie M. Cameron, Laia Vilà -Nadal, Ross S. Winter, Fumichika Iijima, Juan Carlos Murillo, Antonio RodrÃguez-Fortea, Hiroki Oshio, Josep M. Poblet, Leroy Cronin Investigating the Transformations of Polyoxoanions Using Mass Spectrometry and Molecular Dynamics published pages: 8765-8773, ISSN: 0002-7863, DOI: 10.1021/jacs.6b02245 |
Journal of the American Chemical Society 138/28 | 2019-07-05 |
| 2017 |
Vincenza Dragone, Victor Sans, Alon B. Henson, Jaroslaw M. Granda, Leroy Cronin An autonomous organic reaction search engine for chemical reactivity published pages: 15733, ISSN: 2041-1723, DOI: 10.1038/ncomms15733 |
Nature Communications 8 | 2019-07-05 |
| 2017 |
Thomas Boyd, Scott G. Mitchell, David Gabb, De-Liang Long, Yu-Fei Song, Leroy Cronin POMzites: A Family of Zeolitic Polyoxometalate Frameworks from a Minimal Building Block Library published pages: 5930-5938, ISSN: 0002-7863, DOI: 10.1021/jacs.7b01807 |
Journal of the American Chemical Society 139/16 | 2019-07-05 |
| 2017 |
Hong-Ying Zang, Jamie W. Purcell, De-Liang Long, Haralampos N. Miras, Leroy Cronin Exploring structural complexity in the discovery and self-assembly of a family of nanoscale chalcoxides from {Se 8 Mo 36 } to {Se 26 Mo 68 } published pages: 8585-8587, ISSN: 1359-7345, DOI: 10.1039/C7CC04398H |
Chemical Communications 53/61 | 2019-07-05 |
| 2017 |
Vasilios Duros, Jonathan Grizou, Weimin Xuan, Zied Hosni, De-Liang Long, Haralampos N. Miras, Leroy Cronin Human versus Robots in the Discovery and Crystallization of Gigantic Polyoxometalates published pages: 10815-10820, ISSN: 1433-7851, DOI: 10.1002/anie.201705721 |
Angewandte Chemie International Edition 56/36 | 2019-07-05 |
| 2017 |
Jamie W. Purcell, Haralampos N. Miras, De-Liang Long, Panagiota Markopoulou, Leroy Cronin Tellurite-Squarate Driven Assembly of a New Family of Nanoscale Clusters Based on (Mo 2 O 2 S 2 ) 2+ published pages: 9683-9689, ISSN: 0947-6539, DOI: 10.1002/chem.201701920 |
Chemistry - A European Journal 23/40 | 2019-07-05 |
| 2018 |
Jia-Jia Chen, Jian-Chuan Ye, Xia-Guang Zhang, Mark D. Symes, Shao-Cong Fan, De-Liang Long, Ming-Sen Zheng, De-Yin Wu, Leroy Cronin, Quan-Feng Dong Design and Performance of Rechargeable Sodium Ion Batteries, and Symmetrical Li-Ion Batteries with Supercapacitor-Like Power Density Based upon Polyoxovanadates published pages: 1701021, ISSN: 1614-6832, DOI: 10.1002/aenm.201701021 |
Advanced Energy Materials 8/6 | 2019-07-05 |
| 2016 |
Hong-Ying Zang, Jia-Jia Chen, De-Liang Long, Leroy Cronin, Haralampos N. Miras Assembly of inorganic [Mo 2 S 2 O 2 ] 2+ panels connected by selenite anions to nanoscale chalcogenide–polyoxometalate clusters published pages: 3798-3804, ISSN: 2041-6520, DOI: 10.1039/C5SC04944J |
Chemical Science 7/6 | 2019-07-05 |
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