All Outputs (26)

Process Intensification of the Continuous Synthesis of Bio-Derived Monomers for Sustainable Coatings Using a Taylor Vortex Flow Reactor (2024)
Journal Article
Edwards, M. D., Pratley, M. T., Gordon, C. M., Teixeira, R. I., Ali, H., Mahmood, I., …George, M. W. (2024). Process Intensification of the Continuous Synthesis of Bio-Derived Monomers for Sustainable Coatings Using a Taylor Vortex Flow Reactor. Organic Process Research and Development, 28(5), 1917–1928. https://doi.org/10.1021/acs.oprd.3c00462

We describe the optimization and scale-up of two consecutive reaction steps in the synthesis of bio-derived alkoxybutenolide monomers that have been reported as potential replacements for acrylate-based coatings ( Sci. Adv. 2020, 6, eabe0026). These... Read More about Process Intensification of the Continuous Synthesis of Bio-Derived Monomers for Sustainable Coatings Using a Taylor Vortex Flow Reactor.

Photochemistry of transition metal carbonyls (2022)
Journal Article
Turner, J. J., George, M. W., Poliakoff, M., & Perutz, R. N. (2022). Photochemistry of transition metal carbonyls. Chemical Society Reviews, https://doi.org/10.1039/d1cs00826a

The purpose of this Tutorial Review is to outline the fundamental photochemistry of metal carbonyls, and to show how the advances in technology have increased our understanding of the detailed mechanisms, particularly how relatively simple experiment... Read More about Photochemistry of transition metal carbonyls.

High Yielding Continuous-Flow Synthesis of Norketamine (2022)
Journal Article
Hernando, M. V., Moore, J. C., Howie, R. A., Castledine, R. A., Bourne, S. L., Jenkins, G. N., …George, M. W. (2022). High Yielding Continuous-Flow Synthesis of Norketamine. Organic Process Research and Development, 26(4), 1145-1151. https://doi.org/10.1021/acs.oprd.1c00407

A new continuous-flow process is presented for synthesis of the pharmaceutical intermediate norketamine (5). Our approach has been to take the well-established and industrially applied batch synthetic route to this promising antidepressant precursor... Read More about High Yielding Continuous-Flow Synthesis of Norketamine.

Self-Optimization of Continuous Flow Electrochemical Synthesis Using Fourier Transform Infrared Spectroscopy and Gas Chromatography (2021)
Journal Article
Ke, J., Gao, C., Folgueiras-Amador, A. A., Jolley, K. E., de Frutos, O., Mateos, C., …George, M. W. (2022). Self-Optimization of Continuous Flow Electrochemical Synthesis Using Fourier Transform Infrared Spectroscopy and Gas Chromatography. Applied Spectroscopy, 76(1), 38-50. https://doi.org/10.1177/00037028211059848

A continuous-flow electrochemical synthesis platform has been developed to enable self-optimization of reaction conditions of organic electrochemical reactions using attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) and... Read More about Self-Optimization of Continuous Flow Electrochemical Synthesis Using Fourier Transform Infrared Spectroscopy and Gas Chromatography.

Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process (2021)
Journal Article
Wu, L., Abreu, B. L., Blake, A. J., Taylor, L. J., Lewis, W., Argent, S. P., …George, M. W. (2021). Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process. Organic Process Research and Development, 25(8), 1873-1881. https://doi.org/10.1021/acs.oprd.1c00111

Photochemical synthesis of highly reactive hydroperoxides and their conversion into useful products, such as 1,2,4-trioxanes, are of wide interest for synthetic organic chemistry and pharmaceutical manufacturing particularly because of their relevanc... Read More about Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process.

Two chemically distinct root lignin barriers control solute and water balance (2021)
Journal Article
Reyt, G., Ramakrishna, P., Salas-González, I., Fujita, S., Love, A., Tiemessen, D., …Salt, D. E. (2021). Two chemically distinct root lignin barriers control solute and water balance. Nature Communications, 12(1), Article 2320. https://doi.org/10.1038/s41467-021-22550-0

Lignin is a complex polymer deposited in the cell wall of specialised plant cells, where it provides essential cellular functions. Plants coordinate timing, location, abundance and composition of lignin deposition in response to endogenous and exogen... Read More about Two chemically distinct root lignin barriers control solute and water balance.

N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach (2020)
Journal Article
Enujekwu, F. M., Zhang, Y., Ezeh, C. I., Zhao, H., Xu, M., Besley, E., …Wu, T. (2021). N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach. Applied Surface Science, 542, Article 148556. https://doi.org/10.1016/j.apsusc.2020.148556

A density functional theory study was conducted to analyze CO2 adsorption on defective and non-defective MoS2 surfaces with or without nitrogen doping. The MoS2_1VS and MoS2_1VMo_3NS were found exhibiting outstanding adsorption activity and stability... Read More about N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach.

Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding (2020)
Journal Article
Argent, S. P., Da Silva, I., Greenaway, A., Savage, M., Humby, J., Davies, A. J., …Schröder, M. (2020). Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding. Inorganic Chemistry, 59(21), 15646-15658. https://doi.org/10.1021/acs.inorgchem.0c01935

Designing porous materials which can selectively adsorb CO2 or CH4 is an important environmental and industrial goal which requires an understanding of the host-guest interactions involved at the atomic scale. Metal-organic polyhedra (MOPs) showing p... Read More about Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding.

Understanding the factors controlling the photo-oxidation of natural DNA by enantiomerically pure intercalating ruthenium polypyridyl complexes through TA/TRIR studies with polydeoxynucleotides and mixed sequence oligodeoxynucleotides (2020)
Journal Article
Keane, P. M., O'Sullivan, K., Poynton, F. E., Poulsen, B. C., Sazanovich, I. V., Towrie, M., …Kelly, J. M. (2020). Understanding the factors controlling the photo-oxidation of natural DNA by enantiomerically pure intercalating ruthenium polypyridyl complexes through TA/TRIR studies with polydeoxynucleotides and mixed sequence oligodeoxynucleotides. Chemical Science, 32, 8600-8609. https://doi.org/10.1039/d0sc02413a

Ruthenium polypyridyl complexes which can sensitise the photo-oxidation of nucleic acids and other biological molecules show potential for photo-therapeutic applications. In this article a combination of transient visible absorption (TrA) and time-re... Read More about Understanding the factors controlling the photo-oxidation of natural DNA by enantiomerically pure intercalating ruthenium polypyridyl complexes through TA/TRIR studies with polydeoxynucleotides and mixed sequence oligodeoxynucleotides.

In Situ Sulfidation of Pd/C: A Straightforward Method for Chemoselective Conjugate Reduction by Continuous Hydrogenation (2019)
Journal Article
Moore, J. C., Howie, R. A., Bourne, S. L., Jenkins, G. N., Licence, P., Poliakoff, M., & George, M. W. (2019). In Situ Sulfidation of Pd/C: A Straightforward Method for Chemoselective Conjugate Reduction by Continuous Hydrogenation. ACS Sustainable Chemistry and Engineering, 7(19), 16814-16819. https://doi.org/10.1021/acssuschemeng.9b04347

A method has been developed for the in situ sulfidation of Pd/C under continuous flow. The approach provides a cheap, sustainable, and operationally convenient method for chemoselective conjugate reduction by continuous hydrogenation. High conversio... Read More about In Situ Sulfidation of Pd/C: A Straightforward Method for Chemoselective Conjugate Reduction by Continuous Hydrogenation.

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.

Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework (2018)
Journal Article
Han, X., Godfrey, H. G., Briggs, L., Davies, A. J., Cheng, Y., Daemen, L. L., Sheveleva, A. M., Tuna, F., McInnes, E. J., Sun, J., Drathen, C., George, M. W., Ramirez-Cuesta, A. J., Thomas, K. M., Schröder, M., & Yang, S. (2018). Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework. Nature Materials, 17, 691-696. https://doi.org/10.1038/s41563-018-0104-7

Nitrogen dioxide (NO2) is a major air pollutant causing significant environmental and health problems. We report reversible adsorption of NO2 in a robust metal–organic framework. Under ambient conditions, MFM-300(Al) exhibits a reversible NO2 isother... Read More about Reversible adsorption and confinement of nitrogen dioxide within a robust porous metal-organic framework.

UN sustainable development goals: How can sustainable/green chemistry contribute? By doing things differently (2018)
Journal Article
Poliakoff, M., Licence, P., & George, M. W. (2018). UN sustainable development goals: How can sustainable/green chemistry contribute? By doing things differently. Current Opinion in Green and Sustainable Chemistry, 13, 146-149. https://doi.org/10.1016/j.cogsc.2018.04.011

Until now, much Green and Sustainable Chemistry has been focused on how chemicals are made. Here we suggest that, if chemistry is to contribute effectively to achieving the SDGs, we need to change the way that things are done at both ends of the chem... Read More about UN sustainable development goals: How can sustainable/green chemistry contribute? By doing things differently.

Basis sets for the calculation of core-electron binding energies (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2018). Basis sets for the calculation of core-electron binding energies. Chemical Physics Letters, 699, https://doi.org/10.1016/j.cplett.2018.03.066

Core-electron binding energies (CEBEs) computed within a !self-consistent field approach require large basis sets to achieve convergence with respect to the basis set limit. It is shown that supplementing a basis set with basis functions from the cor... Read More about Basis sets for the calculation of core-electron binding energies.

Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes (2018)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (in press). Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes. Chemical Physics Letters, https://doi.org/10.1016/j.cplett.2018.02.028

The non-resonant X-ray emission spectroscopy of fullerenes and carbon nanotubes is studied with density functional theory in conjunction with short-range corrected functionals. For C60 and C70 the X-ray emission spectra are insensitive to modest stru... Read More about Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes.

Probing the carbon-hydrogen activation of alkanes following photolysis of Tp’Rh(CNR)(carbodiimide): a computational and time-resolved infrared spectroscopic study (2017)
Journal Article
Guan, J., Wriglesworth, A., Zhong Sun, X., Brothers, E. N., Zarić, S. D., Evans, M., …George, M. W. (2017). Probing the carbon-hydrogen activation of alkanes following photolysis of Tp’Rh(CNR)(carbodiimide): a computational and time-resolved infrared spectroscopic study. Journal of the American Chemical Society, https://doi.org/10.1021/jacs.7b12152

Carbon–hydrogen bond activation reactions of alkanes by Tp’Rh(CNR) (Tp’ = Tp = trispyrazolylborate or Tp* = tris(3,5-dimethylpyrazolyl)borate) were followed by timeresolved infrared spectroscopy (TRIR) in the υ(CNR) and υ(BH) spectral regions on Tp*R... Read More about Probing the carbon-hydrogen activation of alkanes following photolysis of Tp’Rh(CNR)(carbodiimide): a computational and time-resolved infrared spectroscopic study.

Photoaquation mechanism of hexacyanoferrate(II) ions: ultrafast 2D UV and transient visible and IR spectroscopies (2017)
Journal Article
spectroscopies. Journal of the American Chemical Society, 139(21), 7335-7347. https://doi.org/10.1021/jacs.7b02769

Ferrous iron(II) hexacyanide in aqueous solutions is known to undergo photoionization and photoaquation reactions depending on the excitation wavelength. To investigate this wavelength dependence, we implemented ultrafast two-dimensional UV transient... Read More about Photoaquation mechanism of hexacyanoferrate(II) ions: ultrafast 2D UV and transient visible and IR spectroscopies.

Investigating interfacial electron transfer in dye-sensitized NiO using vibrational spectroscopy (2017)
Journal Article
dye-sensitized NiO using vibrational spectroscopy. Physical Chemistry Chemical Physics, 19(11), 7877-7885. https://doi.org/10.1039/c6cp05712h

Understanding what influences the formation and lifetime of charge-separated states is key to developing photoelectrochemical devices. This paper describes the use of time-resolved infrared absorption spectroscopy (TRIR) to determine the structure an... Read More about Investigating interfacial electron transfer in dye-sensitized NiO using vibrational spectroscopy.

‘Ghost’ stories: sociocultural factors influencing tuberculosis treatment adherence in Ghana (2016)
Journal Article
Salifu, Y., Eliason, C., & Mensah, G. (2016). ‘Ghost’ stories: sociocultural factors influencing tuberculosis treatment adherence in Ghana. Primary Health Care, 26(10), 34-41. https://doi.org/10.7748/phc.2016.e1159

Background: Non-adherence to treatment is a major problem in tuberculosis (TB) control and leads to adverse outcomes and increased morbidity and mortality.
Aim: To explore the experiences of TB patients taking anti-TB drugs in Ghana to improve treat... Read More about ‘Ghost’ stories: sociocultural factors influencing tuberculosis treatment adherence in Ghana.

The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology (2016)
Journal Article
Ke, J., Suleiman, N., Sanchez-Vicente, Y., Murphy, T. S., Rodriguez, J., Ramos, A., …George, M. W. (2017). The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology. International Journal of Greenhouse Gas Control, 56, 55-66. https://doi.org/10.1016/j.ijggc.2016.11.003

The p-T phase diagrams of two ternary systems (CO2 + Ar + N2 and CO2 + Ar + H2) have been measured at temperatures between 268 and 303 K using a fibre-optic phase equilibrium analyser. CO2, which is the major component, has a mole fraction ranging fr... Read More about The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology.