Recent Publications
We're pleased to highlight recent publications made by members of our CDT community.
2024
Fellgett Revisited: On the Nature of Noise in Two-Dimensional Mass Spectrometry
Littlejohn, C.; Li, M.; Lam, P.Y.; Barrow, M.P. and O'Connoer, P.B.; J. Am. Soc. Mass Spectrom. 2024, 35, 12, 2984–2992. https://doi.org/10.1021/jasms.4c00294
Unveiling the intricacy of gapmer oligonucleotides through advanced tandem mass spectrometry approaches and scan accumulation for 2DMS
Rahman, M.; Marzullo, B.P.; Lam, P.Y.; Barrow, M.P.; Holman, S.W.; Ray, A.D. and O'Connor, P.B.; Analyst, 2024, 149, 4687 - 4701. https://doi.org/10.1039/D4AN00484A
Polymorph Identification for Flexible Molecules: Linear Regression Analysis of Experimental and Calculated Solution- and Solid-State NMR Data
Rahman, M.; Dannatt, H.R.W.; Blundell, C.L.; Hughes, L.P.; Blade, H.; Carson, J.; Tatman, B.P.; Johnston, S.T. & Brown, S.P.; J. Phys. Chem. A 2024, 128, 10, 1793–1816. https://doi.org/10.1021/acs.jpca.3c07732
MaDDOSY (Mass Determination Diffusion Ordered Spectroscopy) using an 80 MHz Bench Top NMR for the Rapid Determination of Polymer and Macromolecular Molecular Weight
Tooley, O.; Pointer, W.; Radmall, R.; Hall, M.; Beyer, V.; Stakem, K.; Swift, T.; Town, J.; Junkers.; Wilson, P.; Lester, D. & Haddleton, D.; Macromolecular Rapid Communications, 45 (8), 2024. https://doi.org/10.1002/marc.202300692
Parameterized absorptive electron scattering factors
Thomas, M.; Cleverley, A. & Beanland, R.; IUCrJ, 80, (2024). https://doi.org/10.1107/S2053273323010963
Advancing PROTAC Characterization: Structural Insights through Adducts and Multimodal Tandem-MS Strategies
Rahman, M.; Marzullo, B.; Holman, S.W.; Barrow, M.; Ray, A.D. & O'Connor, P.B., J. Am. Soc. Mass Spectrom. 2024, 35, 2, 285–299. https://doi.org/10.1021/jasms.3c00342
2023
Passivating polycrystalline copper with an ultra-thin samarium layer
Abrahamczyk, S.; Walker, M.; Han, Y.; Huband, S.; Walker, D. & Hatton, R.; Adv. Eng. Mater.. Accepted Author Manuscript. https://doi.org/10.1002/adem.202301052
Understanding the Impact of Symmetrical Substitution on the Photodynamics of Sinapate Esters Using Gas-Phase Ultrafast Spectroscopy
Dalton, J.; Toldo, J.M.; Allais, F.; Barbatti, M. & Stavros, V.G.; J. Phys. Chem. Lett.14, 39, (2023). https://doi.org/10.1021/acs.jpclett.3c02134
Assessment of the technological viability of photoelectrochemical devices for oxygen and fuel production on Moon and Mars
Ross, B.; Haussener, S. & Brinkert, K.; Nat Commun 14, 3141 (2023). https://doi.org/10.1038/s41467-023-38676-2
Post-polymerisation modification of poly(3-hydroxybutyrate) (PHB) using thiol–ene and phosphine addition
Al-Shok, L.; Town, J.S.; Coursari, D.; Wilson, P. & Haddleton, D.M.; Polym. Chem., 2023, Advance Article; https://doi.org/10.1039/D3PY00272A
Nuclear spin diffusion under fast magic-angle spinning in solid-state NMR
Tatman, B.P.; Franks, W.T.; Brown, S.P. & Lewandowski, J.R.; J. Chem. Phys. 158, 184201 (2023); https://doi.org/10.1063/5.0142201Link opens in a new window
Comparison of methods for 14N-1H recoupling in 14N-1H HMQC MAS NMR
Tatman, B.P.; Modha, H. & Brown, S.P.; Journal of Magnetic Resonance, 352 (2023); https://doi.org/10.1016/j.jmr.2023.107459
Examining the substituent effect on mycosporine-inspired ultraviolet filters
Whittock A.L.; Cowden, A.M.; Wills, M. and Stavros V.G.; Phys. Chem. Chem. Phys., 2023,25, 7401-7406 (2023); https://doi.org/10.1039/D2CP05934G
High Performance Transparent Silver Grid Electrodes for Organic Photovoltaics Fabricated by Selective Metal Condensation
Bellchambers, P.; Henderson, C,; Abrahamczyk, S.; Choi, S.; Lee, J-K.; & Hatton, R.; Adv. Mater.. Accepted Author Manuscript 2300166. (2023); https://doi.org/10.1002/adma.202300166
In Silico Demonstration of Two-Dimensional Mass Spectrometry Using Spatially Dependent Fragmentation
Littlejohn, C.; Li, M.; O'Connor, P.B.; J. Am. Soc. Mass Spectrom (2023) 34, 3, 409–416; doi: https://doi.org/10.1021/jasms.2c00241
Modelling fine-sliced three dimensional electron diffraction data with dynamical Bloch-wave simulations
Cleverley, A., Beanland, R.
IUCrJ, 2023 Jan 1;10(Pt 1):118-130 (2023); doi: 10.1107/S2052252522011290
2022
Using polycyclic aromatic hydrocarbons for graphene growth on Cu(111) under ultra-high vacuum
Klein, B.P.; Stoodley, M.A.; Edmondson, M.; Rochford L.A.; Walker, M.; Sattler, L.; Weber, S.M.; Hilt, G.; Williams, L.B.S.; Lee, T-L.; Saywell, A.; Maurer, R.J. & Duncan, D.A.; Appl. Phys. Lett. 121, 191603 (2022); https://doi.org/10.1063/5.0122914Link opens in a new window
Exploring the Potential of Multinuclear Solid-State 1H, 13C, and 35Cl Magnetic Resonance To Characterize Static and Dynamic Disorder in Pharmaceutical Hydrochlorides
Szell, P.M.J.; Rehman, Z.; Tatman, B.P.; Hughes, L.P.; Blade, H. & Brown, S.P.; ChemPhysChem, 24(3), (2022); https://doi.org/10.1002/cphc.202200558
Synthesis of a nanoscale Cu(ii)31-oxo-carboxylate cluster, and effect of Cu–oxo cluster size on visible-light absorption
Barnes T.J.; Payne, J.; Pike, S.D.
Chemical Communications, Volume 59, p. 59-62 (2023); doi: https://doi.org/10.1039/D2CC05478G
In situ X‐ray Scattering of the Crystallisation of Basic Magnesium Chlorides using a Laboratory Instrument
Pickering, K.S.; Huband, S.; Shafran, K.L.; Walton, R.I.
Chemistry Methods, Volume 1, p1-10, (2022); doi.org/10.1002/cmtd.202200033
Investigating the Ultrafast Dynamics and Long-Term Photostability of an Isomer Pair, Usujirene and Palythene, from the Mycosporine-like Amino Acid Family
Whittock, A.L.; Woolley, J.M.; Auckloo, N.; Corre, C.; Stavros, V.G.
Molecules 2022, 27(7), 2272; https://doi.org/10.3390/molecules27072272
A Perspective on Femtosecond Pump-Probe Spectroscopy in the Development of Future Sunscreens
Whittock, A.L.; Abiola, T.T.; Stavros, V.G.
Journal of Physical Chemistry, 2022, 126, 15, 2299–2308. DOI: 10.1021/acs.jpca.2c01000
2021
Exploring the Blueprint of Photoprotection in Mycosporine-like Amino Acids
Whittock, Abigail L., Auckloo, Nazia, Cowden, Adam M., Turner, Matthew A. P., Woolley, Jack Matthew, Wills, Martin, Corre, Christophe and Stavros, Vasilios G. J. Phys. Chem. Lett., 2021, 12, 14, 3641–3646. DOI: https://doi.org/10.1021/acs.jpclett.1c00728
Dipolar Order Parameters in Large Systems with Fast Spinning
Franks, W. Trent, Tatman, Ben P., Trenouth, Jonah and Lewandowski, Józef R.
Frontiers in Molecular Biosciences, 8 . 791026. DOI:10.3389/fmolb.2021.791026
2020
Magic-angle spinning NMR spectroscopy provides insight into the impact of small molecule uptake by G-quartet hydrogels
Reddy, G. N. Manjunatha, Peters, Gretchen Marie, Tatman, Ben, Rajan, Teena S., Kock, Si Min, Zhang, Jing, Frenguelli, Bruno G., Davis, Jeffery T., Marsh, Andrew and Brown, Steven P.
Mater. Adv., 2020,1, 2236-2247. DOI: 10.1039/D0MA00475H
Abiola, T.T.; Whittock, A.L.; Stavros, V.G.
Molecules 2020, 25, 3945. DOI: 10.3390/molecules25173945
Whittock, A.L.; Stavros, V.G.: Turner, M.A.P.; Coxon, D.J.L.; Wooley, J.M.: Horbury, M.D.
Front. Chem. 2020, 8, 574038. DOI: 10.3389/fchem.2020.574038