Outputs (1545)

A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues (2024)
Journal Article
Roper, N. J., Campbell, A. D., Waddell, P. G., Brown, A. K., Ermanis, K., & Armstrong, R. J. (2024). A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues. Chemical Science, 15(40), 16743-16751. https://doi.org/10.1039/d4sc04700a

A four-component Ugi reaction is described for the stereoselective synthesis of novel C-N atropisomeric peptide analogues. Using this approach, a combination of simple, readily available starting materials (ortho-substituted anilines, aldehydes, carb... Read More about A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.

Selective dehydrogenation of tetrahydroisoquinolines in the presence of sulfoxides (2024)
Journal Article
Spagna, F., & Moody, C. J. (2024). Selective dehydrogenation of tetrahydroisoquinolines in the presence of sulfoxides. Arkivoc, 2024(1), Article 202412253. https://doi.org/10.24820/ark.5550190.p012.253

1,2,3,4-Tetrahydroisoquinolines undergo selective dehydrogenation in the presence of compounds with a highly polar X=O bond, particularly sulfoxides, under aerobic conditions to give the corresponding 3,4-dihydroisoquinolines. The reaction can be car... Read More about Selective dehydrogenation of tetrahydroisoquinolines in the presence of sulfoxides.

Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors (2024)
Journal Article
Chaudhuri, S., M. Rogers, D., J. Hayes, C., Inzani, K., & D. Hirst, J. (2024). Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors. Journal of Chemical Information and Modeling, 64(19), 7687-7697. https://doi.org/10.1021/acs.jcim.4c01379

Myotonic dystrophy type I (DM1) is the most common form of adult muscular dystrophy and is a severe condition with no treatment currently available. Recently, small-molecule ligands have been developed as targeted covalent inhibitors that have some s... Read More about Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors.

Discovering Classical Spin Liquids by Topological Search of High Symmetry Nets (2024)
Journal Article
Paddison, J. A., & Cliffe, M. J. (2024). Discovering Classical Spin Liquids by Topological Search of High Symmetry Nets. ACS Central Science, 10(10), 1821-1828. https://doi.org/10.1021/acscentsci.4c01020

Spin liquids are a paradigmatic example of a nontrivial state of matter. The search for new spin liquids is a key interdisciplinary challenge. Geometrical frustration─where the geometry of the net that the spins occupy precludes the generation of a s... Read More about Discovering Classical Spin Liquids by Topological Search of High Symmetry Nets.

Theoretical Study on the Biosynthesis of the Mandapamates: Mechanistic Insights Using Density Functional Theory (2024)
Journal Article
Wang, D., Pattenden, G., Fow, K. L., Stocks, M. J., Hirst, J. D., & Tang, B. (2024). Theoretical Study on the Biosynthesis of the Mandapamates: Mechanistic Insights Using Density Functional Theory. Journal of Organic Chemistry, 89(18), 12946-12956. https://doi.org/10.1021/acs.joc.4c00859

Density functional theory (B3LYP-D3(BJ) and ωB97XD) calculations have been used to assess the stereochemical outcomes of the proposed transannular [4 + 2] cycloaddition pathway for the biosynthesis of mandapamate and isomandapamate from macrocyclic i... Read More about Theoretical Study on the Biosynthesis of the Mandapamates: Mechanistic Insights Using Density Functional Theory.

PDI-Functionalized Glass Beads: Efficient, Metal-Free Heterogeneous Photocatalysts Suitable for Flow Photochemistry (2024)
Journal Article
Ali, H., Ahmed, I., Robertson, K., & Lanterna, A. E. (2024). PDI-Functionalized Glass Beads: Efficient, Metal-Free Heterogeneous Photocatalysts Suitable for Flow Photochemistry. Organic Process Research and Development, 28(9), 3698-3706. https://doi.org/10.1021/acs.oprd.4c00256

Perylene diimides (PDI) have an extraordinary ability to activate both energy and electron transfer processes upon light excitation; however, their extremely low solubility has hindered their wide use as photocatalysts. Here, we show that the combina... Read More about PDI-Functionalized Glass Beads: Efficient, Metal-Free Heterogeneous Photocatalysts Suitable for Flow Photochemistry.

Structural Transformations of Metal-Organic Cages through Tetrazine-Alkene Reactivity (2024)
Journal Article
Black, M. R., Bhattacharyya, S., Argent, S. P., & Pilgrim, B. S. (2024). Structural Transformations of Metal-Organic Cages through Tetrazine-Alkene Reactivity. Journal of the American Chemical Society, 146(41), 28233-28241. https://doi.org/10.1021/jacs.4c08591

The assembly of metal-organic cages is governed by metal ion coordination preferences and the geometries of the typically rigid and planar precursor ligands. PdnL2n cages are among the most structurally diverse, with subtle differences in the metal-l... Read More about Structural Transformations of Metal-Organic Cages through Tetrazine-Alkene Reactivity.

d-Xylose oxetane copolymers as bioderived and tuneable polyesters for amorphous solid dispersions (2024)
Journal Article
F. Clark, E., Howard, A., D. Morales Feliu, S., F. McCabe, J., C. Burley, J., Taresco, V., & Buchard, A. (2024). d-Xylose oxetane copolymers as bioderived and tuneable polyesters for amorphous solid dispersions. RSC Applied Polymers, 2(6), 1104-1112. https://doi.org/10.1039/D4LP00203B

The ring-opening copolymerisation of cyclic anhydrides with an oxetane derived from natural monosaccharide D-xylose has been used to synthesise fully biobased water soluble polyesters, which are able to stabilise the amorphous phases of nifedipine an... Read More about d-Xylose oxetane copolymers as bioderived and tuneable polyesters for amorphous solid dispersions.

The human HELQ helicase and XRN2 exoribonuclease cooperate in R-loop resolution (2024)
Journal Article
Pan, J., Betts, H., Cubbon, A., Bolt, E., Soultanas, P., & He, L. (in press). The human HELQ helicase and XRN2 exoribonuclease cooperate in R-loop resolution. Open Biology,

The human HELQ helicase is a superfamily 2, 3’-5’ helicase homologous to POLQ and RNA helicases of the Ski2-like subfamily. It is involved in diverse aspects of DNA repair and is an emerging prognosis biomarker and novel drug-target for cancer therap... Read More about The human HELQ helicase and XRN2 exoribonuclease cooperate in R-loop resolution.

Structure and thermal stability of phosphorus-iodonium ylids (2024)
Preprint / Working Paper
Greener, A., P. Argent, S., Clarke, C., & L. O'Duill, M. Structure and thermal stability of phosphorus-iodonium ylids

Hypervalent iodine(III) reagents have become indispensable tools in organic synthesis, but gaps remain in the functionalities they can transfer. In this study, a fundamental understanding of the thermal stability of phosphorus-iodonium ylids is obtai... Read More about Structure and thermal stability of phosphorus-iodonium ylids.