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2024

Journal Article

Diastereo‐ and Enantioselective Construction of Stereochemical Arrays Exploiting Non‐Classical Hydrogen Bonding in Enolborates

Li, Matthew Tin-lok, Scheeff, Stephan, Chen, Jiahua, Johnston, Ryne C., Rizzo, Antonio, Krenske, Elizabeth H. and Chiu, Pauline (2024). Diastereo‐ and Enantioselective Construction of Stereochemical Arrays Exploiting Non‐Classical Hydrogen Bonding in Enolborates. Chemistry – A European Journal, 30 (46) e202401485, e202401485. doi: 10.1002/chem.202401485

Diastereo‐ and Enantioselective Construction of Stereochemical Arrays Exploiting Non‐Classical Hydrogen Bonding in Enolborates

2024

Journal Article

Data-efficient, chemistry-aware machine learning predictions of Diels-Alder reaction outcomes

Keto, Angus, Guo, Taicheng, Underdue, Morgan, Stuyver, Thijs, Coley, Connor W, Zhang, Xiangliang, Krenske, Elizabeth H. and Wiest, Olaf (2024). Data-efficient, chemistry-aware machine learning predictions of Diels-Alder reaction outcomes. Journal of the American Chemical Society, 146 (23), 16052-16061. doi: 10.1021/jacs.4c03131

Data-efficient, chemistry-aware machine learning predictions of Diels-Alder reaction outcomes

2023

Journal Article

Mechanistic aspects of thiol additions to Michael acceptors: insights from computations

Roseli, Ras Baizureen, Keto, Angus B. and Krenske, Elizabeth H. (2023). Mechanistic aspects of thiol additions to Michael acceptors: insights from computations. WIREs Computational Molecular Science, 13 (2) e1636, 1-16. doi: 10.1002/wcms.1636

Mechanistic aspects of thiol additions to Michael acceptors: insights from computations

2022

Journal Article

Chemoselective and diastereoselective intramolecular (3+2) cycloadditions of epoxy and aziridinyl enolsilanes

Chen, Yueyao, Ling, Jesse, Keto, Angus B., He, Yun, Low, Kam‐Hung, Krenske, Elizabeth H. and Chiu, Pauline (2022). Chemoselective and diastereoselective intramolecular (3+2) cycloadditions of epoxy and aziridinyl enolsilanes. Angewandte Chemie International Edition, 61 (21) e202116099, 1-7. doi: 10.1002/anie.202116099

Chemoselective and diastereoselective intramolecular (3+2) cycloadditions of epoxy and aziridinyl enolsilanes

2024

Journal Article

­­Steric activation in the Nazarov cyclization of fully substituted divinyl ketones

Flynn, Bernard Luke, Chen, Shuqi, Keto, Angus B., El-Hawli, Ahmad, Gahan, Lawrence R., White, Jonathan M. and Krenske, Elizabeth H. (2024). ­­Steric activation in the Nazarov cyclization of fully substituted divinyl ketones. Chemistry: A European Journal, 30 (72). doi: 10.1002/chem.202402779

­­Steric activation in the Nazarov cyclization of fully substituted divinyl ketones

2024

Journal Article

Structure‐based clustering and mutagenesis of bacterial tannases reveals the importance and diversity of active site‐capping domains

Coleman, Tom, Viknander, Sandra, Kirk, Alicia M., Sandberg, David, Caron, Elise, Zelezniak, Aleksej, Krenske, Elizabeth and Larsbrink, Johan (2024). Structure‐based clustering and mutagenesis of bacterial tannases reveals the importance and diversity of active site‐capping domains. Protein Science, 33 (12) e5202. doi: 10.1002/pro.5202

Structure‐based clustering and mutagenesis of bacterial tannases reveals the importance and diversity of active site‐capping domains

2024

Journal Article

A New Organic Laser Material Design Toward Ultra‐Low Amplified Spontaneous Red Emission and Ultra‐Bright Electroluminescence

Wallwork, Nicholle R., Shukla, Atul, Roseli, Ras Baizureen, Allison, Ilene, McGregor, Sarah K. M., Coles, Max, Gale, Innes, Rahane, Vijay P., Entoma, Volter, Moore, Evan G., Krenske, Elizabeth H., Namdas, Ebinazar B. and Lo, Shih‐Chun (2024). A New Organic Laser Material Design Toward Ultra‐Low Amplified Spontaneous Red Emission and Ultra‐Bright Electroluminescence. Small, 20 (52) 2406817, e2406817. doi: 10.1002/smll.202406817

A New Organic Laser Material Design Toward Ultra‐Low Amplified Spontaneous Red Emission and Ultra‐Bright Electroluminescence

2024

Journal Article

Conformational sampling in computational studies of natural products: why is it important?

Zhou, Yuchen, Limbu, Ingso, Garson, Mary J. and Krenske, Elizabeth H. (2024). Conformational sampling in computational studies of natural products: why is it important?. Journal of Natural Products, 87 (10), 2543-2549. doi: 10.1021/acs.jnatprod.4c00852

Conformational sampling in computational studies of natural products: why is it important?

2024

Journal Article

Origins of temperature‐dependent anomeric selectivity in glycosylations with an L‐idose thioglycoside

See, Nicholas W., Roseli, Ras Baizureen, Wimmer, Norbert, Le, Tri T., Krenske, Elizabeth H. and Ferro, Vito (2024). Origins of temperature‐dependent anomeric selectivity in glycosylations with an L‐idose thioglycoside. Chemistry – A European Journal, 30 (52) e202400331, e202400331. doi: 10.1002/chem.202400331

Origins of temperature‐dependent anomeric selectivity in glycosylations with an L‐idose thioglycoside

2024

Journal Article

Dearomative intramolecular (4+3) cycloadditions of thiophenes

Zheng, Yufen, Chen, Yueyao, He, Yuxuan, Rizzo, Antonio, Zhou, Yuchen, Low, Kam-Hung, Krenske, Elizabeth H. and Chiu, Pauline (2024). Dearomative intramolecular (4+3) cycloadditions of thiophenes. Angewandte Chemie (International Edition), 63 (33) e202407059, e202407059. doi: 10.1002/anie.202407059

Dearomative intramolecular (4+3) cycloadditions of thiophenes

2024

Journal Article

Highly Stable Red Emissive Organic Semiconductor Materials with Low Amplified Spontaneous Emission Thresholds

Rahane, Vijay P., Roseli, Ras Baizureen, Ireland, Alexander R., Gale, Innes, Shukla, Atul, Moore, Evan G., Krenske, Elizabeth H., Namdas, Ebinazar B., Jain, Nidhi and Lo, Shih‐Chun (2024). Highly Stable Red Emissive Organic Semiconductor Materials with Low Amplified Spontaneous Emission Thresholds. Advanced Optical Materials, 12 (25) 2400892. doi: 10.1002/adom.202400892

Highly Stable Red Emissive Organic Semiconductor Materials with Low Amplified Spontaneous Emission Thresholds

2024

Journal Article

Reassignment of the structure of a tryptophan‐containing cyclic tripeptide produced by the biarylitide crosslinking cytochrome P450blt

Coe, Laura J., Zhao, Yongwei, Padva, Leo, Keto, Angus, Schittenhelm, Ralf, Tailhades, Julien, Pierens, Greg, Krenske, Elizabeth H., Crüsemann, Max, De Voss, James and Cryle, Max J. (2024). Reassignment of the structure of a tryptophan‐containing cyclic tripeptide produced by the biarylitide crosslinking cytochrome P450blt. Chemistry: A European Journal, 30 (38) e202400988. doi: 10.1002/chem.202400988

Reassignment of the structure of a tryptophan‐containing cyclic tripeptide produced by the biarylitide crosslinking cytochrome P450blt

2024

Journal Article

Cytochrome P450Blt enables versatile peptide cyclisation to generate histidine and tyrosine containing crosslinked tripeptide building blocks (vol 61, e202204957, 2022)

Coe, L. J., Zhao, Y., Padva, L., Keto, A., Schittenhelm, R., Tailhades, J., Pierens, G., Krenske, E. H., Crusemann, M., De Voss, J. and Cryle, M. J. (2024). Cytochrome P450Blt enables versatile peptide cyclisation to generate histidine and tyrosine containing crosslinked tripeptide building blocks (vol 61, e202204957, 2022). Angewandte Chemie-International Edition, 63 (26) e202408719. doi: 10.1002/anie.202408719

Cytochrome P450Blt enables versatile peptide cyclisation to generate histidine and tyrosine containing crosslinked tripeptide building blocks (vol 61, e202204957, 2022)

2024

Journal Article

Low amplified spontaneous emission threshold from solution processable excited‐state intramolecular proton transfer chromophores

Rahane, Vijay P., Shukla, Atul, Roseli, Ras Baizureen, Ireland, Alexander R., Gale, Innes, Krenske, Elizabeth H., Moore, Evan G., Namdas, Ebinazar B., Jain, Nidhi and Lo, Shih‐Chun (2024). Low amplified spontaneous emission threshold from solution processable excited‐state intramolecular proton transfer chromophores. Advanced Optical Materials, 12 (24). doi: 10.1002/adom.202400840

Low amplified spontaneous emission threshold from solution processable excited‐state intramolecular proton transfer chromophores

2024

Journal Article

Binding of the plant-derived toxin simplexin to bovine protein kinase C: insights from molecular dynamics

Zhou, Yuchen, Roseli, Ras Baizureen, Hungerford, Natasha L., Fletcher, Mary T., Ouwerkerk, Diane, Gilbert, Rosalind A. and Krenske, Elizabeth H. (2024). Binding of the plant-derived toxin simplexin to bovine protein kinase C: insights from molecular dynamics. Organic and Biomolecular Chemistry, 22 (14), 2863-2876. doi: 10.1039/d4ob00065j

Binding of the plant-derived toxin simplexin to bovine protein kinase C: insights from molecular dynamics

2024

Journal Article

Revisiting Staudinger and Ruzicka’s altered pyrethrolone: the cyclopentadienone dimers derived from pyrethrin I, cinerin I and jasmolin I

Hutt, Oliver E., Freemont, Jamie A., Kyi, Stella, Littler, Stuart W., McGeary, Ross P., Duggan, Peter J., Tsanaktsidis, John, Cole, Helen F., Kerr, Maurice G., Krenske, Elizabeth H. and Ryan, John H. (2024). Revisiting Staudinger and Ruzicka’s altered pyrethrolone: the cyclopentadienone dimers derived from pyrethrin I, cinerin I and jasmolin I. Australian Journal of Chemistry, 77 (3) CH23197. doi: 10.1071/ch23197

Revisiting Staudinger and Ruzicka’s altered pyrethrolone: the cyclopentadienone dimers derived from pyrethrin I, cinerin I and jasmolin I

2024

Journal Article

Structural insights into a side chain cross-linking Biarylitide P450 from RiPP biosynthesis

Hansen, Mathias H., Keto, Angus, Treisman, Maxine, Sasi, Vishnu Mini, Coe, Laura, Zhao, Yongwei, Padva, Leo, Hess, Caroline, Leichthammer, Victor, Machell, Daniel L., Schittenhelm, Ralf B., Jackson, Colin J., Tailhades, Julien, Crüsemann, Max, De Voss, James J., Krenske, Elizabeth H. and Cryle, Max J. (2024). Structural insights into a side chain cross-linking Biarylitide P450 from RiPP biosynthesis. ACS Catalysis, 14 (2), 812-826. doi: 10.1021/acscatal.3c05417

Structural insights into a side chain cross-linking Biarylitide P450 from RiPP biosynthesis

2024

Journal Article

Co(<scp>iii</scp>) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak

Ismael, Fouad, Fleming, Cassandra L., Christopher, Timothy D., Söhnel, Tilo, Zhou, Yuchen, Krenske, Elizabeth H., Gahan, Lawrence R. and Blackman, Allan G. (2024). Co(iii) complexes of the pentadentate NHC ligand PY4Im: carbene-induced trans influences and the non-disappearing 13C NMR peak. Dalton Transactions, 53 (30), 12688-12697. doi: 10.1039/d4dt01579g

Co(<scp>iii</scp>) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak

2024

Journal Article

Hyperstable alkenes: are they remarkably unreactive?

Summersgill, Matthew D., Gahan, Lawrence R., Chow, Sharon, Pierens, Gregory K., Bernhardt, Paul V., Krenske, Elizabeth H. and Williams, Craig M. (2024). Hyperstable alkenes: are they remarkably unreactive?. Chemical Science, 15 (46), 19299-19306. doi: 10.1039/d4sc06697a

Hyperstable alkenes: are they remarkably unreactive?

2024

Journal Article

Loss of fluorine during crosslinking by the biarylitide P450<sub>Blt</sub> proceeds due to restricted peptide orientation

Zhao, Yongwei, Gullick, Jemma, Hansen, Mathias H., Coe, Laura, Treisman, Maxine, Schittenhelm, Ralf B., McKay, Alasdair, Murray, Lauren A. M., Tailhades, Julien, De Voss, James J., Krenske, Elizabeth H. and Cryle, Max J. (2024). Loss of fluorine during crosslinking by the biarylitide P450Blt proceeds due to restricted peptide orientation. Chemical Communications, 60 (94), 13951-13954. doi: 10.1039/d4cc04092a

Loss of fluorine during crosslinking by the biarylitide P450<sub>Blt</sub> proceeds due to restricted peptide orientation