研究领域

Physical/Materials

The design of functional molecular materials has advanced tremendously through cocrystallisation: the assembly of multiple chemical species in the same crystal lattice. Underlying cocrystals formation are rules that guide molecular recognition and self-assembly. We are deciphering this "intermolecular language" by combining experimental work with data mining and molecular modelling. Our particular interest is constructing functional materials through weak supramolecular interactions, such as hydrogen and halogen bonds. Surface dynamics of molecular solids Properties of crystalline solids are usually measured as a bulk property, and the results interpreted in terms of crystal structure. However, such a description does not adequately describe the surface of molecular crystals, at which the distribution of forces on a molecule is non-symmetrical, resulting in high mobility and reactivity. The atomic force microscope (AFM) is a unique tool for studying such surface-related dynamics.

近期论文

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Sonocrystallization Yields Monoclinic Paracetamol with Significantly Improved Compaction Behavior DK Bučar, JA Elliott, MD Eddleston, JK Cockcroft, W Jones – Angew Chem Int Ed Engl (2015) 54, 249 (DOI: 10.1002/anie.201408894) Introductory lecture: Mechanochemistry, a versatile synthesis strategy for new materials W Jones, MD Eddleston – Faraday Discussions (2014) 170, 9 (DOI: 10.1039/c4fd00162a) Cocrystal dissociation in the presence of water: A general approach for identifying stable cocrystal forms MD Eddleston, N Madusanka, W Jones – Journal of pharmaceutical sciences (2014) 103, 2865 (DOI: 10.1002/jps.24003) Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid. N Madusanka, MD Eddleston, M Arhangelskis, W Jones – Acta Crystallogr B Struct Sci Cryst Eng Mater (2014) 70, 72 (DOI: 10.1107/S2052520613033167) An investigation of the causes of cocrystal dissociation at high humidity MD Eddleston, R Thakuria, BJ Aldous, W Jones – Journal of pharmaceutical sciences (2014) 103, 2859 (DOI: 10.1002/jps.23865) Solid-state photoreactivity of 9-substituted acridizinium bromide salts SA Stratford, M Arhangelskis, D-K Bucar, W Jones – CrystEngComm (2014) 16, 10830 (DOI: 10.1039/c4ce01622j) Use of in situ atomic force microscopy to follow phase changes at crystal surfaces in real time. R Thakuria, MD Eddleston, EH Chow, GO Lloyd, BJ Aldous, JF Krzyzaniak, AD Bond, W Jones – Angew Chem Int Ed Engl (2013) 52, 10541 (DOI: 10.1002/anie.201302532) Ultrasound-assisted construction of halogen-bonded nanosized cocrystals that exhibit thermosensitive luminescence D Yan, DK Bučar, A Delori, B Patel, GO Lloyd, W Jones, X Duan – Chemistry (2013) 19, 8213 (DOI: 10.1002/chem.201203810) Determination of the crystal structure of a new polymorph of theophylline MD Eddleston, KE Hejczyk, EG Bithell, GM Day, W Jones – Chemistry (2013) 19, 7883 (DOI: 10.1002/chem.201204369) Polymorph identification and crystal structure determination by a combined crystal structure prediction and transmission electron microscopy approach MD Eddleston, KE Hejczyk, EG Bithell, GM Day, W Jones – Chemistry (2013) 19, 7874 (DOI: 10.1002/chem.201204368) Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals D-K Bučar, S Filip, M Arhangelskis, GO Lloyd, W Jones – CrystEngComm (2013) 15, 6289 (DOI: 10.1039/c3ce41013g) Cocrystallization by Freeze-Drying: Preparation of Novel Multicomponent Crystal Forms MD Eddleston, B Patel, GM Day, W Jones – Crystal Growth & Design (2013) 13, 4599 (DOI: 10.1021/cg401179s) Cocrystals of 5-fluorouracil A Delori, MD Eddleston, W Jones – CrystEngComm (2013) 15, 73 (DOI: 10.1039/c2ce26147b) Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion J Galcera, T Friscic, E Molins, W Jones – CrystEngComm (2013) 15, 1332 (DOI: 10.1039/c2ce26791h) Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules A Delori, PTA Galek, E Pidcock, M Patni, W Jones – CrystEngComm (2013) 15, 2916 (DOI: 10.1039/c3ce26765b) Organic microbelt array based on hydrogen-bond architecture showing polarized fluorescence and two-photon emission D Yan, W Jones, G Fan, M Wei, DG Evans – Journal of Materials Chemistry C (2013) 1, 4138 (DOI: 10.1039/c3tc30523f) Real-Time In Situ Powder X-ray Diffraction Monitoring of Mechanochemical Synthesis of Pharmaceutical Cocrystals I Halasz, A Puškarić, SA Kimber, PJ Beldon, AM Belenguer, F Adams, V Honkimäki, RE Dinnebier, B Patel, W Jones, V Strukil, T Friščić – Angew Chem Int Ed Engl (2013) 52, 11538 (DOI: 10.1002/anie.201305928) Screening for polymorphs of cocrystals: A case study MD Eddleston, S Sivachelvam, W Jones – CrystEngComm (2013) 15, 175 (DOI: 10.1039/c2ce26496j) The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal D-K Bučar, GM Day, I Halasz, GGZ Zhang, JRG Sander, DG Reid, LR Macgillivray, MJ Duer, W Jones – Chemical Science (2013) 4, 4417 (DOI: 10.1039/c3sc51419f) The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole D Yan, B Patel, A Delori, W Jones, X Duan – Crystal Growth & Design (2013) 13, 333 (DOI: 10.1021/cg3014927)