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Department of Chemistry

 
Structural Alerts and Random Forest Models in a Consensus Approach for Receptor Binding Molecular Initiating Events
AJ Wedlake, M Folia, S Piechota, TEH Allen, JM Goodman, S Gutsell, PJ Russell
– Chemical Research in Toxicology
(2020)
acs.chemrestox.9b00325
Total synthesis and biological evaluation of simplified aplyronine analogues as synthetically tractable anticancer agents
TR Pettigrew, RJ Porter, SJ Walsh, MP Housden, NYS Lam, JS Carroll, JS Parker, DR Spring, I Paterson
– Chemical Communications
(2020)
Catalytic C(sp(3))-H bond activation in tertiary alkylamines
J Rodrigalvarez, M Nappi, H Azuma, NJ Flodén, ME Burns, MJ Gaunt
– Nat Chem
(2020)
12,
76
Development of a Novel Cell-Permeable Protein–Protein Interaction Inhibitor for the Polo-box Domain of Polo-like Kinase 1
DJ Huggins, BS Hardwick, P Sharma, A Emery, L Laraia, F Zhang, AJ Narvaez, M Roberts-Thomson, AT Crooks, RG Boyle, R Boyce, DW Walker, N Mateu, GJ McKenzie, DR Spring, AR Venkitaraman
– ACS Omega
(2020)
acsomega.9b03626
Rapid syntheses of (−)-FR901483 and (+)-TAN1251C enabled by complexity-generating photocatalytic olefin hydroaminoalkylation
D Reich, A Trowbridge, MJ Gaunt
– Angewandte Chemie International Edition
(2019)
Quantitative Predictions for Molecular Initiating Events Using Three-Dimensional Quantitative Structure-Activity Relationships
TEH Allen, JM Goodman, S Gutsell, PJ Russell
– Chemical Research in Toxicology
(2019)
acs.chemrestox.9b00136
A Practical Method for Continuous Production of sp3‐Rich Compounds from (Hetero)Aryl Halides and Redox‐Active Esters
E Watanabe, Y Chen, O May, SV Ley
– Chemistry – A European Journal
(2019)
26,
186
Predictive Multivariate Linear Regression Analysis Guides Successful Catalytic Enantioselective Minisci Reactions of Diazines
JP Reid, RSJ Proctor, MS Sigman, RJ Phipps
– J Am Chem Soc
(2019)
141,
19178
Two-component assembly of recognition-encoded oligomers that form stable H-bonded duplexes.
L Gabrielli, D Núñez-Villanueva, CA Hunter
– Chemical Science
11,
561
A Unified Total Synthesis of the Actinoallolides, a Family of Potent Anti-Trypanosomal Macrolides.
MJ Anketell, TM Sharrock, I Paterson
– Angewandte Chemie - International Edition
(2019)
Molecular replication using covalent base-pairs with traceless linkers.
D Núñez-Villanueva, CA Hunter
– Organic & Biomolecular Chemistry
(2019)
17,
9660
A Synthetic Vesicle-to-Vesicle Communication System
Y Ding, NH Williams, CA Hunter
– Journal of the American Chemical Society
(2019)
141,
17847
A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation
P Sharma, R Mahen, M Rossmann, JE Stokes, B Hardwick, DJ Huggins, A Emery, DL Kunciw, M Hyvönen, DR Spring, GJ McKenzie, AR Venkitaraman
– Scientific Reports
(2019)
9,
15930
Continuous Pd-Catalyzed Carbonylative Cyclization Using Iron Pentacarbonyl as a CO Source.
P Lopatka, M Markovič, P Koóš, SV Ley, T Gracza
– The Journal of Organic Chemistry
(2019)
84,
14394
Gaining insight into toxicity predicting machine learning algorithms
TEH Allen, E Gelzinyte, AJ Wedlake, JM Goodman, S Gutsell, PJ Russell
– TOXICOLOGY LETTERS
(2019)
314,
S280
An Activatable Cancer-Targeted Hydrogen Peroxide Probe for Photoacoustic and Fluorescence Imaging
J Weber, L Bollepalli, AM Belenguer, MD Antonio, N De Mitri, J Joseph, S Balasubramanian, CA Hunter, SE Bohndiek
– Cancer research
(2019)
79,
5407
Stereocontrolled Synthesis as an Enabling Tool for the Configurational Assignment of Marine Polyketide Natural Products
NYS Lam, I Paterson
– European Journal of Organic Chemistry
(2019)
Para-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.
MT Mihai, BD Williams, RJ Phipps
– Journal of the American Chemical Society
(2019)
141,
15477
Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction
P Schwaller, T Laino, T Gaudin, P Bolgar, CA Hunter, C Bekas, AA Lee
– ACS Central Science
(2019)
5,
1572
Recent Advances in Minisci-Type Reactions
RSJ Proctor, RJ Phipps
– Angewandte Chemie (International ed. in English)
(2019)
58,
13666