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Quantification of energy of activation to supramolecular nanofibre formation reveals enthalpic and entropic effects and morphological consequence (2019)
Journal Article
Samperi, M., Perez-Garcia, L., & Amabilino, D. B. (2019). Quantification of energy of activation to supramolecular nanofibre formation reveals enthalpic and entropic effects and morphological consequence. Chemical Science, https://doi.org/10.1039/c9sc03280k

We show a self-assembly process leading to fibres from a system that starts far from equilibrium because of fast solvent – anti-solvent mixing and analyse the activation energies associated with the aggregation. It is in some ways reminiscent of dive... Read More

Synthesis of folic acid functionalized gold nanoclusters for targeting folate receptor-positive cells (2019)
Journal Article
Liu, Z., Turyanska, L., Zamberlan, F., Pacifico, S., Bradshaw, T. D., Moro, F., …Thomas, N. R. (2019). Synthesis of folic acid functionalized gold nanoclusters for targeting folate receptor-positive cells. Nanotechnology, https://doi.org/10.1088/1361-6528/ab437c

We report on the synthesis of water-soluble gold nanoclusters capped with polyethylene glycol (PEG)-based ligands and further functionalized with folic acid for specific cellular uptake. The dihydrolipoic acid-PEG-based ligands terminated with -OMe,... Read More

A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons (2019)
Journal Article
Melle-Franco, M., Martínez-Abadía, M., Stoppiello, C. T., Strutynski, K., Lerma-Berlanga, B., Martí-Gastaldo, C., …Mateo-Alonso, A. (2019). A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons. Journal of the American Chemical Society, https://doi.org/10.1021/jacs.9b07383

A high degree of crystallinity is an essential aspect in two-dimensional covalent organic frameworks, as many properties depend strongly on the structural arrangement of the different layers and their constituents. We introduce herein a new design st... Read More

Vibration-modified torsional potentials and vibration-torsion (“vibtor”) levels in the m-fluorotoluene cation (2019)
Journal Article
Kemp, D. J., Fryer, E. F., Davies, A. R., & Wright, T. G. (2019). Vibration-modified torsional potentials and vibration-torsion (“vibtor”) levels in the m-fluorotoluene cation. Journal of Chemical Physics, 151(8), https://doi.org/10.1063/1.5116520

Zero-kinetic-energy (ZEKE) spectra are presented for m-fluorotoluene, employing different low-lying (≤350 cm−1) intermediate torsional and vibration-torsional (“vibtor”) levels of the S1 state. The adiabatic ionization energy (AIE) is found to be 71... Read More

Rhodium-catalyzed arylative cyclization of alkynyl malonates by 1,4-rhodium(I) migration (2019)
Journal Article
O'Brien, L., Karad, S. N., Lewis, W., & Lam, H. W. (2019). Rhodium-catalyzed arylative cyclization of alkynyl malonates by 1,4-rhodium(I) migration. Chemical Communications, doi:10.1039/c9cc05205d

The synthesis of functionalized 1-tetralones by the rhodium(I)-catalyzed reaction of alkynyl malonates with arylboronic acids is described. These arylative cyclizations proceed via an alkenyl-to-aryl 1,4-Rh(I) migration as a key step. Preliminary res... Read More

Host–Guest Hybrid Redox Materials Self‐Assembled from Polyoxometalates and Single‐Walled Carbon Nanotubes (2019)
Journal Article
Jordan, J. W., Lowe, G. A., McSweeney, R. L., Stoppiello, C. T., Lodge, R. W., Skowron, S. T., …Khlobystov, A. N. (2019). Host–Guest Hybrid Redox Materials Self‐Assembled from Polyoxometalates and Single‐Walled Carbon Nanotubes. Advanced Materials, https://doi.org/10.1002/adma.201904182

The development of next‐generation molecular‐electronic, electrocatalytic, and energy‐storage systems depends on the availability of robust materials in which molecular charge‐storage sites and conductive hosts are in intimate contact. It is shown he... Read More

Preferred Formation of Minority Concomitant Polymorphs in 2D Self‐Assembly under Lateral Nanoconfinement (2019)
Journal Article
Seibel, J., Amabilino, D. B., & De Feyter, S. (2019). Preferred Formation of Minority Concomitant Polymorphs in 2D Self‐Assembly under Lateral Nanoconfinement. Angewandte Chemie, 131(37), 13098-13102. https://doi.org/10.1002/ange.201908552

Control over polymorph formation in the crystallization of organic molecules remains a huge scientific challenge. Now, preferential formation is presented of one polymorph, formed by chiral molecules, in controlled two‐dimensional (2D) nanoconfinemen... Read More

Electronic Circular Dichroism Spectroscopy of Proteins (2019)
Journal Article
Rogers, D. M., Jasim, S. B., Dyer, N. T., Auvray, F., Réfrégiers, M., & Hirst, J. D. (2019). Electronic Circular Dichroism Spectroscopy of Proteins. Chem, doi:10.1016/j.chempr.2019.07.008

Circular dichroism (CD) is an important spectroscopic technique that enables the characterization of protein secondary and tertiary structure. Proteins can undergo changes in their structure when they participate in processes, for example, ligand bin... Read More

The effects of metakaolinization and fused-metakaolinization on zeolites from quartz rich natural clays (2019)
Journal Article
Otieno, S. O., Kengara, F. O., Kemmegne-Mbouguen, J. C., Langmi, H. W., Kowenje, C. B., & Mokaya, R. (2019). The effects of metakaolinization and fused-metakaolinization on zeolites from quartz rich natural clays. Microporous and Mesoporous Materials, 290, doi:10.1016/j.micromeso.2019.109668

A variety of zeolites have been synthesized by performing either metakaolinization or fused-metakaolinization of natural clays prior to the hydrothermal synthesis step. To understand the differences arising from performing fused metakaolinization rat... Read More

Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule (2019)
Journal Article
Temperton, R. H., Skowron, S. T., Handrup, K., Gibson, A. J., Nicolaou, A., Jaouen, N., …O’Shea, J. N. (2019). Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule. Journal of Chemical Physics, 151(7), 1-9. https://doi.org/10.1063/1.5114692

N 1s Resonant Inelastic X-ray Scattering (RIXS) was used to probe the molecular electronic structure of the ruthenium photosensitizer complex cis-bis(isothiocyanato) bis(2,2′-bipyridyl-4,4′-dicarboxylato) ruthenium(II), known as “N3.” In order to int... Read More

Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR) (2019)
Journal Article
Kemp, D. J., Tuttle, W. D., Gardner, A. M., Whalley, L. E., & Wright, T. G. (2019). Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR). Journal of Chemical Physics, 151(6), doi:10.1063/1.5115329

Evidence is found showing that coupling with vibration-torsion (“vibtor”) levels of both in-plane and out-of-plane vibrations is instrumental in causing dissipative intramolecular vibrational redistribution (IVR). Both zero-electron-kinetic-energy (Z... Read More

A Comprehensive Quantitative Assay for Amine Transaminases (2019)
Journal Article
Carins, R., Gomm, A., Peel, C., Sharkey, M., & O'Reilly, E. (2019). A Comprehensive Quantitative Assay for Amine Transaminases. ChemCatChem, https://doi.org/10.1002/cctc.201901430

The development of effective high-throughput screening assays has contributed greatly to the wealth of designer enzymes available, by enabling rapid identification of desired variants from large mutant libraries. Here, we report a general and operati... Read More

Role of Self‐Assembly Conditions and Amphiphilic Balance on Nanoparticle Formation of PEG‐PDLLA Copolymers in Aqueous Environments (2019)
Journal Article
Phan, H., Minut, R. I., McCrorie, P., Vasey, C., Larder, R. R., Krumins, E., …Pearce, A. K. (2019). Role of Self‐Assembly Conditions and Amphiphilic Balance on Nanoparticle Formation of PEG‐PDLLA Copolymers in Aqueous Environments. Journal of Polymer Science Part A: Polymer Chemistry, 57(17), 1801-1810. doi:10.1002/pola.29451

The production of well-defined and reproducible poly-meric nanoparticles (NPs), in terms of size and stability in biological environments, is undoubtedly a fundamental challenge in the formulation of novel and more effective nanomedicines. The adopti... Read More

Starch/Poly (Glycerol-Adipate) Nanocomposite Film as Novel Biocompatible Materials (2019)
Journal Article
Sagnelli, , Cavanagh, , Xu, , Swainson, , Blennow, , Duncan, , …Howdle, . (2019). Starch/Poly (Glycerol-Adipate) Nanocomposite Film as Novel Biocompatible Materials. Coatings, 9(8), doi:10.3390/coatings9080482

Starch is one of the most abundant polysaccharides on the earth and it is the most important source of energy intake for humans. Thermoplastic starch (TPS) is also widely used for new bio-based materials. The blending of starch with other molecules m... Read More

Low-coordinate first-row transition metal complexes in catalysis and small molecule activation (2019)
Journal Article
Taylor, L. J., & Kays, D. L. (2019). Low-coordinate first-row transition metal complexes in catalysis and small molecule activation. Dalton Transactions, 48(33), 12365-12381. doi:10.1039/C9DT02402F

Enforcing unusually low coordination numbers on transition metals with sterically demanding ligands has long been an area of interest for chemists. Historically, the synthesis of these challenging molecules has helped to elucidate fundamental princip... Read More

Multifunctional bio-instructive 3D architectures to modulate cellular behaviour (2019)
Journal Article
Vaithilingam, J., Sanjuán-Alberte, P., Campora, S., Rance, G. A., Jiang, L., Tuck, C. J., …Rawson, F. J. (2019). Multifunctional bio-instructive 3D architectures to modulate cellular behaviour. Advanced Functional Materials, doi:10.1002/adfm.201902016

Biological structures control cell behaviour via physical, chemical, electrical and mechanical cues. Approaches that allow us to build devices that mimic these cues in a combinatorial way are lacking due to there being no suitable instructive materia... Read More

Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy (2019)
Journal Article
Bartlett, S. A., Besley, N. A., Dent, A. J., Diaz-Moreno, S., Evans, J., Hamilton, M. L., …George, M. W. (2019). Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy. Journal of the American Chemical Society, 141(29), 11471-11480. https://doi.org/10.1021/jacs.8b13848

Complexes with weakly coordinating ligands are often formed in chemical reactions and can play key roles in determining the reactivity, particularly in catalytic reactions. Using time-resolved X-ray absorption fine structure (XAFS) spectroscopy in co... Read More

A scaled CIS(D) based method for the calculation of valence and core electron ionization energies (2019)
Journal Article
Hanson-Heine, M. W. D., George, M. W., & Besley, N. A. (2019). A scaled CIS(D) based method for the calculation of valence and core electron ionization energies. Journal of Chemical Physics, 151(3), doi:10.1063/1.5100098

The calculation of electron ionisation energies is a key component for the simulation of photoelectron spectroscopy. CIS(D) is a perturbative doubles correction for the single excitation configuration interaction (CIS) method which provides a new appr... Read More