Skip to main content

Research Repository

Advanced Search

All Outputs (19)

Imidazolylidene Cu(II) complexes: synthesis using imidazolium carboxylate precursors and structure rearrangement pathways (2019)
Journal Article
Ségaud, N., McMaster, J., van Koten, G., & Albrecht, M. (2019). Imidazolylidene Cu(II) complexes: synthesis using imidazolium carboxylate precursors and structure rearrangement pathways. Inorganic Chemistry, 58(23), 16047-16058. https://doi.org/10.1021/acs.inorgchem.9b02568

Copper(II) complexes of type (NHC)CuX2 (X = OAc, Cl, Br, BF4, NO3) bearing monodentate N-heterocyclic carbenes (NHCs) were prepared by in situ decarboxylation of imidazolium carboxylates as a new synthetic methodology for Cu(II)-NHC complexes. In con... Read More about Imidazolylidene Cu(II) complexes: synthesis using imidazolium carboxylate precursors and structure rearrangement pathways.

Continuous preparation of flavour‐active acetate esters by direct biocatalytic esterification (2019)
Journal Article
Perdomo, I. C., Contente, M. L., Pinto, A., Romano, D., Fernandes, P., & Molinari, F. (2020). Continuous preparation of flavour‐active acetate esters by direct biocatalytic esterification. Flavour and Fragrance Journal, 35(2), 190-196. https://doi.org/10.1002/ffj.3552

Mycelium-bound lipase(s) from Aspergillus oryzae catalysed direct esterification of isoamyl alcohol and cinnamyl alcohol with acetic acid in organic solvent, showing high stability towards substrates and products. Water produced during the esterifica... Read More about Continuous preparation of flavour‐active acetate esters by direct biocatalytic esterification.

Photochemical Dehalogenation of Aryl Halides: Importance of Halogen Bonding (2019)
Journal Article
Elhage, A., Costa, P., Nasim, A., Lanterna, A. E., & Scaiano, J. C. (2019). Photochemical Dehalogenation of Aryl Halides: Importance of Halogen Bonding. Journal of Physical Chemistry A, 123(47), 10224-10229. https://doi.org/10.1021/acs.jpca.9b06716

Upon UVA irradiation, aryl halides can undergo dehalogenation in the presence of bases and methanol as a hydrogen donor. This catalyst-free photochemical dehalogenation is furnished through a facile radical chain reaction under mild conditions. The c... Read More about Photochemical Dehalogenation of Aryl Halides: Importance of Halogen Bonding.

Let’s stick together for continuous flow biocatalysis (2019)
Journal Article
Contente, M. L., & Molinari, F. (2019). Let’s stick together for continuous flow biocatalysis. Nature Catalysis, 2(11), 951-952. https://doi.org/10.1038/s41929-019-0363-y

Fusion systems have been designed linking enzymes to cofactors and immobilization modules through appropriate synthetic spacers. These modular biocatalysts (assembling catalysis, cofactor provision/regeneration, and assisted immobilization) are suite... Read More about Let’s stick together for continuous flow biocatalysis.

AIRBED: a simpli?ed density functional theory model for physisorption on surfaces (2019)
Journal Article
Mason, S. E., Beton, P. H., & Besley, N. A. (2019). AIRBED: a simpli?ed density functional theory model for physisorption on surfaces. Journal of Chemical Theory and Computation, 15(10), 5628-5634. https://doi.org/10.1021/acs.jctc.9b00576

Dispersion interactions are commonly included in density functional theory (DFT) calculations through the addition of an empirical correction. In this study, a modi?cation is made to the damping function in DFT-D2 calculations, to describe repulsion... Read More about AIRBED: a simpli?ed density functional theory model for physisorption on surfaces.

Developing a sustainable route to environmentally relevant metal-organic frameworks: ultra-rapid synthesis of MFM-300(Al) using microwave heating (2019)
Journal Article
Thomas-Hillman, I., Stevens, L. A., Lange, M., Möllmer, J., Lewis, W., Dodds, C., …Laybourn, A. (2019). Developing a sustainable route to environmentally relevant metal-organic frameworks: ultra-rapid synthesis of MFM-300(Al) using microwave heating. Green Chemistry, 21(18), 5039-5045. https://doi.org/10.1039/c9gc02375e

NO2, SO2 and CO2 are major air pollutants causing significant environmental and health problems. Metal-organic frameworks (MOFs), in particular [Al2(OH)2(C16O8H6)](H2O)6 (trivial names: NOTT-300/MFM-300(Al)), have shown great promise for capturing th... Read More about Developing a sustainable route to environmentally relevant metal-organic frameworks: ultra-rapid synthesis of MFM-300(Al) using microwave heating.

Epoxy–amine oligomers from terpenes with applications in synergistic antifungal treatments (2019)
Journal Article
O’Brien, D. M., Vallieres, C., Alexander, C., Howdle, S. M., Stockman, R. A., & Avery, S. V. (2019). Epoxy–amine oligomers from terpenes with applications in synergistic antifungal treatments. Journal of Materials Chemistry B, 7(34), 5222-5229. https://doi.org/10.1039/c9tb00878k

A bis-epoxide monomer was synthesised in two steps from (R)-carvone, a terpenoid renewable feedstock derived from spearmint oil, and used to prepare ?-aminoalcohol oligomers in polyaddition reactions with bis-amines without requiring solvent or catal... Read More about Epoxy–amine oligomers from terpenes with applications in synergistic antifungal treatments.

A green road map for heterogeneous photocatalysis (2019)
Journal Article
Scaiano, J. C., & Lanterna, A. E. (2020). A green road map for heterogeneous photocatalysis. Pure and Applied Chemistry, 92(1), 63-73. https://doi.org/10.1515/pac-2019-0207

In the new millennium the well-established paradigms of organic photochemistry have come alive as the basis for a wide range of synthetic methodologies that take advantage of the enhanced redox properties of excited states. While many strategies have... Read More about A green road map for heterogeneous photocatalysis.

Radical Addition to Strained σ-Bonds Enables the Stereocontrolled Synthesis of Cyclobutyl Boronic Esters (2019)
Journal Article
Silvi, M., & Aggarwal, V. K. (2019). Radical Addition to Strained σ-Bonds Enables the Stereocontrolled Synthesis of Cyclobutyl Boronic Esters. Journal of the American Chemical Society, 141(24), 9511-9515. https://doi.org/10.1021/jacs.9b03653

While radical additions to π-bonds are well established, additions to σ-bonds are far less explored. We have found that electron deficient radicals derived from alkyl iodides under visible light irradiation add to the central strained bond of bicyclo... Read More about Radical Addition to Strained σ-Bonds Enables the Stereocontrolled Synthesis of Cyclobutyl Boronic Esters.

PepFoot: a software package for semiautomated processing of protein footprinting data (2019)
Journal Article
Bellamy-Carter, J., & Oldham, N. J. (2019). PepFoot: a software package for semiautomated processing of protein footprinting data. Journal of Proteome Research, 18(7), 2925-2930. https://doi.org/10.1021/acs.jproteome.9b00238

Covalent footprinting of proteins using reactive intermediates such as radicals and carbenes is emerging as a valuable tool for mapping surface accessibility, and hence binding sites of proteins. The approach generates a significant amount of mass sp... Read More about PepFoot: a software package for semiautomated processing of protein footprinting data.

Controlling the preferential motion of chiral molecular walkers on a surface (2019)
Journal Article
Abbasi-Pérez, D., Sang, H., Pérez-García, L., Floris, A., Amabilino, D. B., Raval, R., …Kantorovich, L. (2019). Controlling the preferential motion of chiral molecular walkers on a surface. Chemical Science, 10(23), 5864-5874. https://doi.org/10.1039/c9sc01135h

Molecular walkers standing on two or more “feet” on an anisotropic periodic potential of a crystal surface may perform a one-dimensional Brownian motion at the surface-vacuum interface along a particular direction in which their mobility is the large... Read More about Controlling the preferential motion of chiral molecular walkers on a surface.

3D printed scaffolds with controlled micro-/nano- porous surface topography direct chondrogenic and osteogenic differentiation of mesenchymal stem cells (2019)
Journal Article
Prasopthum, A., Cooper, M., Shakesheff, K. M., & Yang, J. (2019). 3D printed scaffolds with controlled micro-/nano- porous surface topography direct chondrogenic and osteogenic differentiation of mesenchymal stem cells. ACS Applied Materials and Interfaces, 11(21), 18896-18906. https://doi.org/10.1021/acsami.9b01472

The effect of topography in 3D printed polymer scaffolds on stem cell differentiation is a significantly under-explored area. Compared to 2D biomaterials on which various well-defined topographies have been incorporated and been shown to direct an ar... Read More about 3D printed scaffolds with controlled micro-/nano- porous surface topography direct chondrogenic and osteogenic differentiation of mesenchymal stem cells.

The nature of proton shuttling in protic ionic liquid fuel cells (2019)
Journal Article
Smith, D. E., & Walsh, D. A. (2019). The nature of proton shuttling in protic ionic liquid fuel cells. Advanced Energy Materials, 9(24), Article 1900744. https://doi.org/10.1002/aenm.201900744

It has been proposed previously that protic ionic liquids (PILs) such as diethylmethylammonium triflate could be used as the electrolytes in nonhumidified, intermediate temperature H2 fuel cells, potentially offering the prospect of high conductivity... Read More about The nature of proton shuttling in protic ionic liquid fuel cells.

Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib (2019)
Journal Article
Morgan, J., Saleem, M., Ng, R., Armstrong, C., Wong, S. S., Caulton, S. G., …Emsley, J. (2019). Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib. Blood Advances, 3(9), 1450-1459. https://doi.org/10.1182/bloodadvances.2018027011

Cell-surface receptor interactions between leukocyte integrin macrophage-1 antigen (Mac-1, also known as CR3, aMb2, CD11b/CD18) and platelet glycoprotein Iba (GPIba) are critical to vascular inflammation. To define the key residues at the binding inter... Read More about Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib.

Listeria innocua Dps as a nanoplatform for bioluminescence based photodynamic therapy utilizing Gaussia princeps luciferase and zinc protoporphyrin IX (2019)
Journal Article
Al-Ani, A. W., Zhang, L., Ferreira, L., Turyanska, L., Bradshaw, T. D., & Thomas, N. R. (2019). Listeria innocua Dps as a nanoplatform for bioluminescence based photodynamic therapy utilizing Gaussia princeps luciferase and zinc protoporphyrin IX. Nanomedicine: Nanotechnology, Biology and Medicine, 20, Article 102005. https://doi.org/10.1016/j.nano.2019.04.008

Listeria innocua DNA binding protein from starved cells (LiDps) belongs to the ferritin family and provides a promising self-assembling spherical 12-mer protein scaffold for the generation of functional nanomaterials. We report the creation of a Gaus... Read More about Listeria innocua Dps as a nanoplatform for bioluminescence based photodynamic therapy utilizing Gaussia princeps luciferase and zinc protoporphyrin IX.

Probing elusive cations: infrared spectroscopy of protonated acetic acid (2019)
Journal Article
Davies, J. A., Besley, N. A., Yang, S., & Ellis, A. M. (2019). Probing elusive cations: infrared spectroscopy of protonated acetic acid. Journal of Physical Chemistry Letters, 10(9), 2108-2112. https://doi.org/10.1021/acs.jpclett.9b00767

Protonated carboxylic acids, (RCOOH)H+, are the initial intermediates in acid-catalyzed (Fischer) esterification reactions. However the identity of the isomeric form is under debate. Surprisingly, no optical spectra have been reported for any isomer... Read More about Probing elusive cations: infrared spectroscopy of protonated acetic acid.

Turning the periodic table upside down (2019)
Journal Article
Poliakoff, M., Makin, A. D. J., Tang, S. L. Y., & Poliakoff, E. (2019). Turning the periodic table upside down. Nature Chemistry, 11(5), 391-393. https://doi.org/10.1038/s41557-019-0253-6

The periodic table is immensely powerful for rationalizing many different properties of the chemical elements, but would turning it on its head make some important aspects easier to understand and give everyone a new perspective on chemistry?

Overcoming Water Insolubility in Flow: Enantioselective Hydrolysis of Naproxen Ester (2019)
Journal Article
Roura Padrosa, D., De Vitis, V., Contente, M., Molinari, F., & Paradisi, F. (2019). Overcoming Water Insolubility in Flow: Enantioselective Hydrolysis of Naproxen Ester. Catalysts, 9(3), Article 232. https://doi.org/10.3390/catal9030232

© 2019 by the authors. Licensee MDPI, Basel, Switzerland. Hydrolytic enantioselective cleavage of different racemic non-steroidal anti-inflammatory drugs (NSAIDs) ester derivatives has been studied. An engineered esterase form Bacillus subtilis (BS2m... Read More about Overcoming Water Insolubility in Flow: Enantioselective Hydrolysis of Naproxen Ester.