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Artificial-Intelligence Driven Discovery and Synthesis of Polyoxometalate Clusters

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Publications

Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters

Author(s): Qi Zheng, Laia Vilà-Nadal, Zhongling Lang, Jia-Jia Chen, De-Liang Long, Jennifer S. Mathieson, Josep M. Poblet, Leroy Cronin
Published in: Journal of the American Chemical Society, 140/7, 2018, Page(s) 2595-2601, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.7b11982

Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals

Author(s): Philip J. Kitson, Guillaume Marie, Jean-Patrick Francoia, Sergey S. Zalesskiy, Ralph C. Sigerson, Jennifer S. Mathieson, Leroy Cronin
Published in: Science, 359/6373, 2018, Page(s) 314-319, ISSN 0036-8075
Publisher: American Association for the Advancement of Science
DOI: 10.1126/science.aao3466

Strategies to Explore and Develop Reversible Redox Reactions of Li–S in Electrode Architectures Using Silver-Polyoxometalate Clusters

Author(s): Jian Chuan Ye, Jia Jia Chen, Ru Ming Yuan, Ding Rong Deng, Ming Sen Zheng, Leroy Cronin, Quan Feng Dong
Published in: Journal of the American Chemical Society, 140/8, 2018, Page(s) 3134-3138, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.8b00411

Using earth abundant materials for the catalytic evolution of hydrogen from electron-coupled proton buffers

Author(s): Lewis MacDonald, Jessica C. McGlynn, Nicola Irvine, Ihfaf Alshibane, Leanne G. Bloor, Benjamin Rausch, Justin S. J. Hargreaves, Leroy Cronin
Published in: Sustainable Energy & Fuels, 1/8, 2017, Page(s) 1782-1787, ISSN 2398-4902
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7SE00334J

Human versus Robots in the Discovery and Crystallization of Gigantic Polyoxometalates

Author(s): Vasilios Duros, Jonathan Grizou, Weimin Xuan, Zied Hosni, De-Liang Long, Haralampos N. Miras, Leroy Cronin
Published in: Angewandte Chemie International Edition, 56/36, 2017, Page(s) 10815-10820, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201705721

Design and Performance of Rechargeable Sodium Ion Batteries, and Symmetrical Li-Ion Batteries with Supercapacitor-Like Power Density Based upon Polyoxovanadates

Author(s): 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
Published in: Advanced Energy Materials, 8/6, 2018, Page(s) 1701021, ISSN 1614-6832
Publisher: Wiley-VCH Verlag
DOI: 10.1002/aenm.201701021

Selective hydrogenation of nitroarenes using an electrogenerated polyoxometalate redox mediator

Author(s): Lewis MacDonald, Benjamin Rausch, Mark D. Symes, Leroy Cronin
Published in: Chemical Communications, 54/9, 2018, Page(s) 1093-1096, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7CC09036F

Tellurite-Squarate Driven Assembly of a New Family of Nanoscale Clusters Based on (Mo 2 O 2 S 2 ) 2+

Author(s): Jamie W. Purcell, Haralampos N. Miras, De-Liang Long, Panagiota Markopoulou, Leroy Cronin
Published in: Chemistry - A European Journal, 23/40, 2017, Page(s) 9683-9689, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201701920

A recursive microfluidic platform to explore the emergence of chemical evolution

Author(s): David Doran, Marc Rodriguez-Garcia, Rebecca Turk-MacLeod, Geoffrey J T Cooper, Leroy Cronin
Published in: Beilstein Journal of Organic Chemistry, 13, 2017, Page(s) 1702-1709, ISSN 1860-5397
Publisher: Beilstein-Institut
DOI: 10.3762/bjoc.13.164

Artificial intelligence exploration of unstable protocells leads to predictable properties and discovery of collective behavior

Author(s): Laurie J. Points, James Ward Taylor, Jonathan Grizou, Kevin Donkers, Leroy Cronin
Published in: Proceedings of the National Academy of Sciences, 115/5, 2018, Page(s) 885-890, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1711089115

A practical, organic-mediated, hybrid electrolyser that decouples hydrogen production at high current densities

Author(s): Niall Kirkaldy, Greig Chisholm, Jia-Jia Chen, Leroy Cronin
Published in: Chemical Science, 9/6, 2018, Page(s) 1621-1626, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7SC05388F

Autonomous model protocell division driven by molecular replication

Author(s): J. W. Taylor, S. A. Eghtesadi, L. J. Points, T. Liu, L. Cronin
Published in: Nature Communications, 8/1, 2017, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-017-00177-4

Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction

Author(s): Mercè Martin-Sabi, Joaquín Soriano-López, Ross S. Winter, Jia-Jia Chen, Laia Vilà-Nadal, De-Liang Long, José Ramón Galán-Mascarós, Leroy Cronin
Published in: Nature Catalysis, 1/3, 2018, Page(s) 208-213, ISSN 2520-1158
Publisher: Macmillan Publishers Limited
DOI: 10.1038/s41929-018-0037-1

Directed Self-Assembly, Symmetry Breaking, and Electronic Modulation of Metal Oxide Clusters by Pyramidal Heteroanions

Author(s): Harikleia Sartzi, De-Liang Long, Stephen Sproules, Leroy Cronin, Haralampos N. Miras
Published in: Chemistry - A European Journal, 24/17, 2018, Page(s) 4399-4411, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201705711

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 }

Author(s): Hong-Ying Zang, Jamie W. Purcell, De-Liang Long, Haralampos N. Miras, Leroy Cronin
Published in: Chemical Communications, 53/61, 2017, Page(s) 8585-8587, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7CC04398H

Design and synthesis of polyoxometalate-framework materials from cluster precursors

Author(s): Laia Vilà-Nadal, Leroy Cronin
Published in: Nature Reviews Materials, 2/10, 2017, Page(s) 17054, ISSN 2058-8437
Publisher: Macmillan Publishers Limited
DOI: 10.1038/natrevmats.2017.54

Exploring Strategies To Bias Sequence in Natural and Synthetic Oligomers and Polymers

Author(s): Jan K. Szymański, Yousef M. Abul-Haija, Leroy Cronin
Published in: Accounts of Chemical Research, 51/3, 2018, Page(s) 649-658, ISSN 0001-4842
Publisher: American Chemical Society
DOI: 10.1021/acs.accounts.7b00495

A probabilistic framework for identifying biosignatures using Pathway Complexity

Author(s): Stuart M. Marshall, Alastair R. G. Murray, Leroy Cronin
Published in: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 375/2109, 2017, Page(s) 20160342, ISSN 1364-503X
Publisher: Royal Society of London
DOI: 10.1098/rsta.2016.0342

Time-programmable drug dosing allows the manipulation, suppression and reversal of antibiotic drug resistance in vitro

Author(s): Mari Yoshida, Sabrina Galiñanes Reyes, Soichiro Tsuda, Takaaki Horinouchi, Chikara Furusawa, Leroy Cronin
Published in: Nature Communications, 8, 2017, Page(s) 15589, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/ncomms15589

Exploring the Molecular Growth of Two Gigantic Half-Closed Polyoxometalate Clusters {Mo 180 } and {Mo 130 Ce 6 }

Author(s): Weimin Xuan, Robert Pow, De-Liang Long, Leroy Cronin
Published in: Angewandte Chemie International Edition, 56/33, 2017, Page(s) 9727-9731, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201702957

An autonomous organic reaction search engine for chemical reactivity

Author(s): Vincenza Dragone, Victor Sans, Alon B. Henson, Jaroslaw M. Granda, Leroy Cronin
Published in: Nature Communications, 8, 2017, Page(s) 15733, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/ncomms15733

Encapsulation of a {Cu 16 } cluster containing four [Cu 4 O 4 ] cubanes within an isopolyoxometalate {W 44 } cluster

Author(s): Caihong Zhan, Christoph Busche, De-Liang Long, Pedro I. Molina, Ross S. Winter, Leroy Cronin
Published in: Chemical Communications, 53/52, 2017, Page(s) 7076-7079, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/C7CC03544F

Coding the Assembly of Polyoxotungstates with a Programmable Reaction System

Author(s): Andreu Ruiz de la Oliva, Victor Sans, Haralampos N. Miras, De-Liang Long, Leroy Cronin
Published in: Inorganic Chemistry, 56/9, 2017, Page(s) 5089-5095, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.7b00206

Miller-Urey Spark-Discharge Experiments in the Deuterium World

Author(s): Geoffrey J. T. Cooper, Andrew J. Surman, Jim McIver, Stephanie M. Colón-Santos, Piotr S. Gromski, Saskia Buchwald, Irene Suárez Marina, Leroy Cronin
Published in: Angewandte Chemie International Edition, 56/28, 2017, Page(s) 8079-8082, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201610837

POMzites: A Family of Zeolitic Polyoxometalate Frameworks from a Minimal Building Block Library

Author(s): Thomas Boyd, Scott G. Mitchell, David Gabb, De-Liang Long, Yu-Fei Song, Leroy Cronin
Published in: Journal of the American Chemical Society, 139/16, 2017, Page(s) 5930-5938, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.7b01807

The digital code driven autonomous synthesis of ibuprofen automated in a 3D-printer-based robot

Author(s): Philip J Kitson, Stefan Glatzel, Leroy Cronin
Published in: Beilstein Journal of Organic Chemistry, 12, 2016, Page(s) 2776-2783, ISSN 1860-5397
Publisher: Beilstein-Institut
DOI: 10.3762/bjoc.12.276

Exploring the solvent mediated assembly and redox activity of a POM–organic hybrid [Na(SO 3 ) 2 (PhPO 3 ) 4 MoV4MoVI14O 49 ] 5−

Author(s): Masaru Fujibayashi, Yu-Fei Song, Leroy Cronin, Ryo Tsunashima
Published in: New Journal of Chemistry, 40/10, 2016, Page(s) 8488-8492, ISSN 1144-0546
Publisher: Royal Society of Chemistry
DOI: 10.1039/C6NJ01774F

Spontaneous Assembly of an Organic-Inorganic Nucleic Acid Z-DNA Double-Helix Structure

Author(s): Vladislav Kulikov, Naomi A. B. Johnson, Andrew J. Surman, Marie Hutin, Sharon M. Kelly, Mohammed Hezwani, De-Liang Long, Gerd Meyer, Leroy Cronin
Published in: Angewandte Chemie International Edition, 56/4, 2017, Page(s) 1141-1145, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201606658

Self-Templating and In Situ Assembly of a Cubic Cluster-of-Clusters Architecture Based on a {Mo 24 Fe 12 } Inorganic Macrocycle

Author(s): Weimin Xuan, Andrew J. Surman, Qi Zheng, De-Liang Long, Leroy Cronin
Published in: Angewandte Chemie International Edition, 55/41, 2016, Page(s) 12703-12707, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201603298

Sizing and Discovery of Nanosized Polyoxometalate Clusters by Mass Spectrometry

Author(s): Andrew J. Surman, Philip J. Robbins, Jakub Ujma, Qi Zheng, Perdita. E. Barran, Leroy Cronin
Published in: Journal of the American Chemical Society, 138/11, 2016, Page(s) 3824-3830, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.6b00070

Investigating the Transformations of Polyoxoanions Using Mass Spectrometry and Molecular Dynamics

Author(s): Jamie M. Cameron, Laia Vilà-Nadal, Ross S. Winter, Fumichika Iijima, Juan Carlos Murillo, Antonio Rodríguez-Fortea, Hiroki Oshio, Josep M. Poblet, Leroy Cronin
Published in: Journal of the American Chemical Society, 138/28, 2016, Page(s) 8765-8773, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.6b02245

Exploiting the equilibrium dynamics in the self-assembly of inorganic macrocycles based upon polyoxothiometalate building blocks

Author(s): Hongying Zang, Andrew Surman, Deliang Long, Leroy Cronin, Haralampos N. Miras
Published in: Chemical Communications, 52/58, 2016, Page(s) 9109-9112, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/C6CC01041E

Shrink wrapping redox-active crystals of polyoxometalate open frameworks with organic polymers via crystal induced polymerisation

Author(s): Yohei Takashima, Haralampos N. Miras, Stefan Glatzel, Leroy Cronin
Published in: Chemical Communications, 52/50, 2016, Page(s) 7794-7797, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/C6CC03031A

Assembly of inorganic [Mo 2 S 2 O 2 ] 2+ panels connected by selenite anions to nanoscale chalcogenide–polyoxometalate clusters

Author(s): Hong-Ying Zang, Jia-Jia Chen, De-Liang Long, Leroy Cronin, Haralampos N. Miras
Published in: Chemical Science, 7/6, 2016, Page(s) 3798-3804, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/C5SC04944J

Rearrangement of {α-P 2 W 15 } to {PW 6 } moieties during the assembly of transition-metal-linked polyoxometalate clusters

Author(s): Mercè Martin-Sabi, Ross Stuart Winter, Claire Lydon, Jamie M. Cameron, De-Liang Long, Leroy Cronin
Published in: Chemical Communications, 52/5, 2016, Page(s) 919-921, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/C5CC08486E

Overcoming the Crystallization Bottleneck: A Family of Gigantic Inorganic {Pd x } L ( x= 84, 72) Palladium Macrocycles Discovered using Solution Techniques

Author(s): Lorna G. Christie, Andrew J. Surman, Rachel A. Scullion, Feng Xu, De-Liang Long, Leroy Cronin
Published in: Angewandte Chemie International Edition, 55/41, 2016, Page(s) 12741-12745, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201606005

Towards dial-a-molecule by integrating continuous flow, analytics and self-optimisation

Author(s): Victor Sans, Leroy Cronin
Published in: Chemical Society Reviews, 45/8, 2016, Page(s) 2032-2043, ISSN 0306-0012
Publisher: Royal Society of Chemistry
DOI: 10.1039/C5CS00793C