Outputs (110)

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), Article 064308. https://doi.org/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 about Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR).

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, 11(19), 4738-4743. 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 about A Comprehensive Quantitative Assay for Amine Transaminases.

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. https://doi.org/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 about Role of Self‐Assembly Conditions and Amphiphilic Balance on Nanoparticle Formation of PEG‐PDLLA Copolymers in Aqueous Environments.

Ground and Excited States of Bis‐4‐Methoxybenzyl‐Substituted Diketopyrrolopyrroles: Spectroscopic and Electrochemical Studies (2019)
Journal Article
Murphy, A. S., Killalea, C. E., Humphreys, J., Hume, P. A., Cliffe, M. J., Murray, G. J., …Amabilino, D. B. (2019). Ground and Excited States of Bis‐4‐Methoxybenzyl‐Substituted Diketopyrrolopyrroles: Spectroscopic and Electrochemical Studies. ChemPlusChem, 84(9), 1413-1422. https://doi.org/10.1002/cplu.201900286

A series of symmetrically bis‐4‐methoxybenzyl (4MB) N‐substituted 1,4‐diketopyrrolo[3,4‐c]pyrrole (DPP) derivatives have been synthesized. The 4MB unit makes the DPP core soluble, and shows subtle modification of up to 0.2 eV in ground and excited st... Read More about Ground and Excited States of Bis‐4‐Methoxybenzyl‐Substituted Diketopyrrolopyrroles: Spectroscopic and Electrochemical Studies.

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), Article 482. https://doi.org/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 about Starch/Poly (Glycerol-Adipate) Nanocomposite Film as Novel Biocompatible Materials.

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. https://doi.org/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 about Low-coordinate first-row transition metal complexes in catalysis and small molecule activation.

Multifunctional Bioinstructive 3D Architectures to Modulate Cellular Behavior (2019)
Journal Article
Vaithilingam, J., Sanjuan‐Alberte, P., Campora, S., Rance, G. A., Jiang, L., Thorpe, J., …Rawson, F. J. (2019). Multifunctional Bioinstructive 3D Architectures to Modulate Cellular Behavior. Advanced Functional Materials, 29(38), Article 1902016. https://doi.org/10.1002/adfm.201902016

Biological structures control cell behavior 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 about Multifunctional Bioinstructive 3D Architectures to Modulate Cellular Behavior.

Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures (2019)
Journal Article
Bolognesi, M., Brucale, M., Lorenzoni, A., Prescimone, F., Moschetto, S., Korolkov, V. V., …Toffanin, S. (2019). Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures. Nanoscale, 11(37), 17252-17261. https://doi.org/10.1039/c9nr01155b

© The Royal Society of Chemistry. Mechanically exfoliated two-dimensional (2D) black phosphorus (bP) is epitaxially terminated by monolayers and multilayers of tetracosane, a linear alkane, to form a weakly interacting van der Waals heterostructure.... Read More about Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures.

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 about Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy.

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), Article 034104. https://doi.org/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 about A scaled CIS(D) based method for the calculation of valence and core electron ionization energies.