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2024 Journal Article Molecular dynamics simulations support a preference of cyclotide kalata B1 for phosphatidylethanolamine phospholipidsRoseli, Ras Baizureen, Huang, Yen-Hua, Henriques, Sónia Troeira, Kaas, Quentin and Craik, David J. (2024). Molecular dynamics simulations support a preference of cyclotide kalata B1 for phosphatidylethanolamine phospholipids. Biochimica et Biophysica Acta (BBA) - Biomembranes, 1866 (3) 184268, 1-13. doi: 10.1016/j.bbamem.2023.184268 |
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2023 Journal Article Mechanistic aspects of thiol additions to Michael acceptors: insights from computationsRoseli, 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 |
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2021 Journal Article Endo selectivity in the (4 + 3) cycloaddition of oxidopyridinium ionsSungnoi, Wanna, Keto, Angus B., Roseli, Ras Baizureen, Liu, Jinchu, Wang, Heather, Fu, Chencheng, Regalado, Erik L., Krenske, Elizabeth H. and Harmata, Michael (2021). Endo selectivity in the (4 + 3) cycloaddition of oxidopyridinium ions. Organic Letters, 23 (21) acs.orglett.1c03028, 8302-8306. doi: 10.1021/acs.orglett.1c03028 |
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2020 Journal Article How does cross-conjugation influence thiol additions to enones? A computational study of thiol trapping by the naturally occurring divinyl ketones zerumbone and α-santoninTing, Jonathan Y. C., Roseli, Ras Baizureen and Krenske, Elizabeth H. (2020). How does cross-conjugation influence thiol additions to enones? A computational study of thiol trapping by the naturally occurring divinyl ketones zerumbone and α-santonin. Organic and Biomolecular Chemistry, 18 (7), 1426-1435. doi: 10.1039/c9ob02709b |
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2019 Journal Article Liberation of charge carriers by optical pumping excitons in poly(3-hexylthiophene) aggregatesTapping, Patrick C., Roseli, Ras Baizureen and Kee, Tak W. (2019). Liberation of charge carriers by optical pumping excitons in poly(3-hexylthiophene) aggregates. The Journal of Physical Chemistry C, 123 (6) acs.jpcc.9b00318, 3441-3448. doi: 10.1021/acs.jpcc.9b00318 |
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2017 Journal Article Origin of the Excited-State Absorption Spectrum of PolythiopheneRoseli, Ras Baizureen, Tapping, Patrick C. and Kee, Tak W. (2017). Origin of the Excited-State Absorption Spectrum of Polythiophene. The Journal of Physical Chemistry Letters, 8 (13), 2806-2811. doi: 10.1021/acs.jpclett.7b01053 |
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2024 Journal Article A New Organic Laser Material Design Toward Ultra‐Low Amplified Spontaneous Red Emission and Ultra‐Bright ElectroluminescenceWallwork, 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 |
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2024 Journal Article Origins of temperature‐dependent anomeric selectivity in glycosylations with an L‐idose thioglycosideSee, 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 |
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2024 Journal Article Highly stable red emissive organic semiconductor materials with low amplified spontaneous emission thresholdsRahane, 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 |
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2024 Journal Article Low amplified spontaneous emission threshold from solution processable excited‐state intramolecular proton transfer chromophoresRahane, 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 |
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2024 Journal Article Binding of the plant-derived toxin simplexin to bovine protein kinase C: insights from molecular dynamicsZhou, 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 |
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2023 Journal Article Light blue rigid excited-state intramolecular proton transfer organic semiconductor laser chromophoresAllison, Ilene, Mamada, Mashashi, Shukla, Atul, McGregor, Sarah K. M., Roseli, Ras Baizureen, Gale, Innes, Rahane, Vijay P., Moore, Evan G., Krenske, Elizabeth H., Jain, Nidhi, Adachi, Chihaya, Namdas, Ebinazar B. and Lo, Shih-Chun (2023). Light blue rigid excited-state intramolecular proton transfer organic semiconductor laser chromophores. Journal of Materials Chemistry C, 11 (45), 15861-15872. doi: 10.1039/d3tc02707d |
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2022 Other Outputs Application of molecular modelling techniques to guide the design of new molecules in material science and drug discoveryRoseli, Ras Baizureen Binti (2022). Application of molecular modelling techniques to guide the design of new molecules in material science and drug discovery. PhD Thesis, School of Chemistry and Molecular Biosciences, The University of Queensland. doi: 10.14264/807743e |
