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Recent Publications

We're pleased to highlight recent publications made by members of our CDT community.


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.

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.

Parameterized absorptive electron scattering factors

Thomas, M.; Cleverley, A. & Beanland, R.; IUCrJ, 80, (2024).

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.


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.

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).

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).

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;

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); 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);

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);

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);

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:

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


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); 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);

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:

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);

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;

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


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:

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


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

Unravelling the Photoprotective Mechanisms of Nature-Inspired Ultraviolet Filters Using Ultrafast Spectroscopy.
Abiola, T.T.; Whittock, A.L.; Stavros, V.G.
Molecules 2020, 25, 3945. DOI: 10.3390/molecules25173945
Reinvestigating the Photoprotection Properties of a Mycosporine Amino Acid Motif.
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