the goodman group
university of cambridge  

   Department Publications

Collagen labelling with an azide-proline chemical reporter in live cells

Beatrice Amgarten, Rakesh Rajan, Nuria Martinez-Saez, Bruno L Oliveira, Ines S Albuquerque, Roger Brooks, David G Reid, M J Duer, Goncalo J L Bernardes
Chemical Communications DOI: 10.1039/C4CC07974D

Superposition-Enhanced Estimation of Optimal Temperature Spacings for Parallel Tempering Simulations

Andrew J Ballard and David J Wales
Journal of Chemical Theory and Computation DOI: 10.1021/ct500797a

A contribution to the rational design of Ru(CO)3Cl2L complexes for in vivo delivery of CO

Carlos C Romao, Joao D Seixas, Marino F A Santos, Abhik Mukhopadhyay, Ana C Coelho, Patricia Reis, Luis F Veiros, Ana Marques, Nuno Penacho, Ana Goncalves, Maria Joao Romao, Goncalo J L Bernardes, Teresa Santos-silva
Dalton Transactions DOI: 10.1039/C4DT02966F

A Counteranion Triggered Arylation Strategy Using Diaryliodonium Fluorides

Matthew J Gaunt, Lily Chan, Andy McNally, Abraham Mendoza, Qioa Yan Toh
Chemical Science DOI: 10.1039/C4SC02856B

A Relationship between the Transient Structure in the Monomeric State and the Aggregation Propensities of α-Synuclein and β-Synuclein

Jane R Allison, Robert C Rivers, John C Christodoulou, Michele Vendruscolo, and Christopher M Dobson
Biochemistry DOI: 10.1021/bi5009326

Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure

Alston J Misquitta, Anthony J Stone, and Farhang Fazeli
Journal of Chemical Theory and Computation DOI: 10.1021/ct5008444

Suppression of the FOXM1 transcriptional programme via novel small molecule inhibition

Michael V Gormally, Thomas S Dexheimer, Giovanni Marsico, Deborah A Sanders, Christopher Lowe, Dijana Matak-Vinković, Sam Michael, Ajit Jadhav, Ganesha Rai, David J Maloney, Anton Simeonov, Shankar Balasubramanian
Nature Communications DOI: 10.1038/ncomms6165

Ostwald’s rule of stages governs structural transitions and morphology of dipeptide supramolecular polymers

Aviad Levin, Thomas O Mason, Lihi Adler-Abramovich, Alexander K Buell, George Meisl, Celine Galvagnion, Yaron Bram, Samuel A Stratford, Christopher M Dobson, Tuomas P J Knowles, Ehud Gazit
Nature Communications DOI: 10.1038/ncomms6219

Formation of a Heterometallic AlIII/SmIII Complex Involving a Novel [EtAl(2-py)2O]2– Ligand (2-py = 2-Pyridyl)

Raúl García-Rodríguez, Hayley R Simmonds, and Dominic S Wright
Organometallics DOI: 10.1021/om5009132

Proton reduction by molecular catalysts in water under demanding atmospheres

David Wakerley, Manuela A Gross, Erwin Reisner
Chemical Communications DOI: 10.1039/C4CC06159D

Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li–S Battery System

Kimberly A See, Michal Leskes, John M Griffin, Sylvia Britto, Peter D Matthews, Alexandra Emly, Anton Van der Ven, Dominic S Wright, Andrew J Morris, Clare P Grey, and Ram Seshadri
Journal of the American Chemical Society DOI: 10.1021/ja508982p

Defining Molecular Initiating Events in the Adverse Outcome Pathway Framework for Risk Assessment

Timothy E H Allen, Jonathan M Goodman, Steve Gutsell, and Paul J Russell
Chemical Research in Toxicology DOI: 10.1021/tx500345j

The roughness of the protein energy landscape results in anomalous diffusion of the polypeptide backbone

Martin Volk, Lilia Milanesi, J Waltho, Christopher A Hunter, G S Beddard
PCCP DOI: 10.1039/C4CP03058C

Flow Chemistry as a Discovery Tool to Access sp2-sp3 Cross-Coupling Reactions via Diazo Compounds

Duc N Tran, Claudio Battilocchio, Shing-Bong Lou, Joel Hawkins, Steven V Ley
Chemical Science DOI: 10.1039/C4SC03072A

n-type chalcogenides by ion implantation

Mark A Hughes, Yanina Fedorenko, Behrad Gholipour, Jin Yao, Tae-Hoon Lee, Russell M Gwilliam, Kevin P Homewood, Steven Hinder, Daniel W Hewak, Stephen R Elliott, Richard J Curry
Nature Communications DOI: 10.1038/ncomms6346

A Systems Approach towards an Intelligent and Self-Controlling Platform for Integrated Continuous Reaction Sequences

Richard J Ingham, Dr Claudio Battilocchio, Daniel E Fitzpatrick, Dr Eric Sliwinski, Dr Joel M Hawkins and Prof Steven V Ley
Angewandte Chemie International Edition DOI: 10.1002/anie.201409356

Direct Observation of Intermediates in a Thermodynamically Controlled Solid-State Dynamic Covalent Reaction

Ana M Belenguer, Giulio I Lampronti, David J Wales, and Jeremy K M Sanders
Journal of the American Chemical Society DOI: 10.1021/ja500707z

Sonocrystallization Yields Monoclinic Paracetamol with Significantly Improved Compaction Behavior

Dr Dejan-Krešimir Bučar, Dr James A Elliott, Dr Mark D Eddleston, Dr Jeremy K Cockcroft and Prof William Jones
Angewandte Chemie International Edition DOI: 10.1002/anie.201408894

Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics

Jun Cheng, Xiandong Liu, Joost VandeVondele, Marialore Sulpizi, and Michiel Sprik
Accounts of Chemical Research DOI: 10.1021/ar500268y

Identifying the Structure of the Intermediate, Li2/3CoPO4, Formed during Electrochemical Cycling of LiCoPO4

Fiona C Strobridge, Raphaële J Clément, Michal Leskes, Derek S Middlemiss, Olaf J Borkiewicz, Kamila M Wiaderek, Karena W Chapman, Peter J Chupas, and Clare P Grey
Chemistry of Materials DOI: 10.1021/cm502680w

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department of chemistry University of Cambridge