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SMART-POM SIGNED

Artificial-Intelligence Driven Discovery and Synthesis of Polyoxometalate Clusters

Total Cost €

EC-Contrib. €

Partnership

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Outcomes and
results

SMART-POM project word cloud

Explore the words cloud of the SMART-POM project. It provides you a very rough idea of what is the project "SMART-POM" about.

mechanistic devise gigantic smart sensory conversion locating barrier ubb novelty discover entirely benefit nano magic single assembly ing break pot first search move molecule universal flow chemistry world combinations found photochemical merely preparation sensors adaptive combinatorial nm block intelligence gold time precursors size equilibrium links molecules fundamental water vast platform synthesise molecular understand polyoxometalates synthetic building oxides space automated bistable physical artificial materials doped feedback oxide give outline nanoclusters pom mechanism precisely clusters intelligent algorithms metal discovery extend electrochemical introduces catalysts synthesis needing blocks emergent oxidation rules batch functional paradigm automation elucidate myriad

Project "SMART-POM" data sheet

The following table provides information about the project.

Coordinator	UNIVERSITY OF GLASGOW Organization address address: UNIVERSITY AVENUE city: GLASGOW postcode: G12 8QQ website: www.gla.ac.uk contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
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.

#	participants	country	role	EC contrib. [€]
1	UNIVERSITY OF GLASGOW UNIVERSITY OF GLASGOW Organization address address: UNIVERSITY AVENUE city: GLASGOW postcode: G12 8QQ website: www.gla.ac.uk contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	UK (GLASGOW)	coordinator	2˙464˙532.00

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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

List of publications.
year	authors and title	journal	last update
2018	Jan K. SzymaÅ„ski, 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 VilÃ -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 Inâ€…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 GaliÃ±anes 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 POMâ€“organic hybrid [Na(SO 3 ) 2 (PhPO 3 ) 4 MoV4MoVI14O 49 ] 5âˆ’ published pages: 8488-8492, ISSN: 1144-0546, DOI: 10.1039/C6NJ01774F	New Journal of Chemistry 40/10	2019-07-05
2016	MercÃ¨ Martin-Sabi, Ross Stuart Winter, Claire Lydon, Jamie M. Cameron, De-Liang Long, Leroy Cronin Rearrangement of {Î±-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. ColÃ³n-Santos, Piotr S. Gromski, Saskia Buchwald, Irene SuÃ¡rezâ€…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	MercÃ¨ Martin-Sabi, JoaquÃn Soriano-LÃ³pez, Ross S. Winter, Jia-Jia Chen, Laia VilÃ -Nadal, De-Liang Long, JosÃ© RamÃ³n GalÃ¡n-MascarÃ³s, 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 Liâ€“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 VilÃ -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 chalcogenideâ€“polyoxometalate clusters published pages: 3798-3804, ISSN: 2041-6520, DOI: 10.1039/C5SC04944J	Chemical Science 7/6	2019-07-05

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