All Outputs (156)

Simultaneous quantification of acetaminophen and tryptophan using a composite graphene foam/Zr-MOF film modified electrode (2020)
Journal Article
Kemmegne-Mbouguen, J. C., Tchoumi, F. P., Mouafo-Tchinda, E., Langmi, H. W., Bambalaza, S. E., Musyoka, N. M., …Mokaya, R. (2020). Simultaneous quantification of acetaminophen and tryptophan using a composite graphene foam/Zr-MOF film modified electrode. New Journal of Chemistry, 44(30), 13108-13117. https://doi.org/10.1039/d0nj02374d

© The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. A graphene foam/zirconium-based metal-organic framework composite (GF/UiO-66) was synthesised and then employed to modify glassy carbon electrodes (GCE). These mod... Read More about Simultaneous quantification of acetaminophen and tryptophan using a composite graphene foam/Zr-MOF film modified electrode.

Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene (2020)
Journal Article
Jiang, L., Rogers, D. M., Hirst, J. D., & Do, H. (2020). Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene. Journal of Chemical Theory and Computation, 16(8), 5150-5162. https://doi.org/10.1021/acs.jctc.0c00399

Utilizing a force-matching procedure, we parametrize new force fields systematically for large conjugated systems. We model both conjugated polymers and molecular crystals that contain diketopyrrolopyrrole, thiophene, and thieno[3,2-b]thiophene units... Read More about Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene.

Synthesis of two-phase polymer particles in supercritical carbon dioxide (2020)
Journal Article
Haddleton, A., Bennett, T. M., Chen, X., Atkinson, R. L., Taresco, V., & Howdle, S. M. (2020). Synthesis of two-phase polymer particles in supercritical carbon dioxide. Polymer Chemistry, 11(31), 5029-5039. https://doi.org/10.1039/d0py00729c

The synthesis of particles with discrete phases using traditional emulsion polymerisation is a well-established process. Phase-separated particles have a wide range of applications, such as in coatings, drug delivery, impact modification and as suppo... Read More about Synthesis of two-phase polymer particles in supercritical carbon dioxide.

Vibrational Analysis of Carbon Nanotube Based Nanomechanical Resonators (2020)
Journal Article
Besley, N. A. (2020). Vibrational Analysis of Carbon Nanotube Based Nanomechanical Resonators. Journal of Physical Chemistry C, 124(30), 16714-16721. https://doi.org/10.1021/acs.jpcc.0c04998

A vibrational analysis of three types of carbon nanotube-based nanomechanical resonator is presented. Harmonic vibrational frequencies and the associated normal modes are evaluated through diagonalization of the full mass-weighted Hessian matrix, whe... Read More about Vibrational Analysis of Carbon Nanotube Based Nanomechanical Resonators.

Unusually high α-proton acidity of prolyl residues in cyclic peptides (2020)
Journal Article
Maguire, O. R., Taylor, B., Higgins, E. M., Rees, M., Cobb, S. L., Simpkins, N. S., …O'Donoghue, A. C. (2020). Unusually high α-proton acidity of prolyl residues in cyclic peptides. Chemical Science, 11(29), 7722-7729. https://doi.org/10.1039/d0sc02508a

The acidity of the α-proton in peptides has an essential role in numerous biochemical reactions and underpins their stereochemical integrity, which is critical to their biological function. We report a detailed kinetic and computational study of the... Read More about Unusually high α-proton acidity of prolyl residues in cyclic peptides.

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction (2020)
Journal Article
Baiz, C. R., Błasiak, B., Bredenbeck, J., Cho, M., Choi, J. H., Corcelli, S. A., …Zanni, M. T. (2020). Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical Reviews, 120(15), 7152–7218. https://doi.org/10.1021/acs.chemrev.9b00813

© 2020 American Chemical Society. Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and studies of functional materials. Over the past decade, various coherent nonlinear vibrational spectroscopic techniques have b... Read More about Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction.

Accurate EELS background subtraction – an adaptable method in MATLAB (2020)
Journal Article
Fung, K. L., Fay, M. W., Collins, S. M., Kepaptsoglou, D. M., Skowron, S. T., Ramasse, Q. M., & Khlobystov, A. N. (2020). Accurate EELS background subtraction – an adaptable method in MATLAB. Ultramicroscopy, 217, Article 113052. https://doi.org/10.1016/j.ultramic.2020.113052

Electron energy-loss spectroscopy (EELS) is a technique that can give useful information on elemental composition and bonding environments. However in practice, the complexity of the background contributions, which can arise from multiple sources, ca... Read More about Accurate EELS background subtraction – an adaptable method in MATLAB.

Hemoglobin-derived Fe-Nx-S species supported by bamboo-shaped carbon nanotubes as efficient electrocatalysts for the oxygen evolution reaction (2020)
Journal Article
Chen, W., Luo, X., Ling, S., Zhou, Y., Shen, B., Slater, T. J., …Shen, Y. (2020). Hemoglobin-derived Fe-Nx-S species supported by bamboo-shaped carbon nanotubes as efficient electrocatalysts for the oxygen evolution reaction. Carbon, 168, 588-596. https://doi.org/10.1016/j.carbon.2020.06.064

Herein, we report a facile route to synthesize isolated single iron atoms on nitrogen-sulfur-codoped carbon matrix via a direct pyrolysis process in which hemoglobin, a by-product of the meat industry, was utilized as a precursor for iron, nitrogen a... Read More about Hemoglobin-derived Fe-Nx-S species supported by bamboo-shaped carbon nanotubes as efficient electrocatalysts for the oxygen evolution reaction.

Reliable Langmuir Blodgett colloidal masks for large area nanostructure realization (2020)
Journal Article
Thangamuthu, M., Santschi, C., & Martin, O. J. (2020). Reliable Langmuir Blodgett colloidal masks for large area nanostructure realization. Thin Solid Films, 709, Article 138195. https://doi.org/10.1016/j.tsf.2020.138195

The fabrication of highly ordered nanostructures over large areas is key for many technologies and colloidal lithography using the Langmuir Blodgett technique appears a simple and straightforward way of reaching that goal. While this technique has be... Read More about Reliable Langmuir Blodgett colloidal masks for large area nanostructure realization.

Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery (2020)
Journal Article
Kaira, B. G., Slater, A., McCrae, K. R., Dreveny, I., Sumya, U.-M., Mutch, N. J., …Emsley, J. (2020). Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery. Blood, 136(14), 1685–1697. https://doi.org/10.1182/blood.2020004818

The contact system is composed of Factor XII (FXII), prekallikrein (PK) and co-factor kininogen (HK). The globular C1q receptor (gC1qR) has been shown to interact with FXII and HK. We reveal the FXII fibronectin type II domain (FnII) binds gC1qR in a... Read More about Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.

Carbene‐induced rescue of catalytic activity in deactivated Nitrite Reductase mutant (2020)
Journal Article
Planchestainer, M., Schulz, C., McMaster, J., Paradisi, F., & Albrecht, M. (2020). Carbene‐induced rescue of catalytic activity in deactivated Nitrite Reductase mutant. Chemistry - A European Journal, 26(66), 15206-15211. https://doi.org/10.1002/chem.202002444

The role of His145 in the T1 copper center of Nitrite Reductase (NiR) is pivotal for the activity of the enzyme. Mutation to a glycine at this position enables the reconstitution of the T1 center by the addition of imidazole as exogenous ligands, how... Read More about Carbene‐induced rescue of catalytic activity in deactivated Nitrite Reductase mutant.

Möbius and Hückel Cyclacenes with Dewar and Ladenburg Defects (2020)
Journal Article
Hanson-Heine, M. W., & Hirst, J. D. (2020). Möbius and Hückel Cyclacenes with Dewar and Ladenburg Defects. Journal of Physical Chemistry A, 124(26), 5408-5414. https://doi.org/10.1021/acs.jpca.0c04137

Copyright © 2020 American Chemical Society. Cyclacene nanobelts have not been synthesized in over 60 years and remain one of the last unsynthesized building blocks of carbon nanotubes. Recent work has predicted that Hückel-cyclacenes containing Dewar... Read More about Möbius and Hückel Cyclacenes with Dewar and Ladenburg Defects.

A transition metal–gallium cluster formed via insertion of “GaI” (2020)
Journal Article
Blundell, T. J., Taylor, L. J., Valentine, A. J., Lewis, W., Blake, A. J., McMaster, J., & Kays, D. L. (2020). A transition metal–gallium cluster formed via insertion of “GaI”. Chemical Communications, 56(58), 8139-8142. https://doi.org/10.1039/d0cc03559a

The reaction between a two-coordinate Co(II) diaryl complex and “GaI” affords 2,6-Pmp2C6H3CoGa3I5, in a new geometry for a heavier group 13-transition metal cluster. Experimental and computational investigations show that this compound is best descri... Read More about A transition metal–gallium cluster formed via insertion of “GaI”.

Transition metal decorated soft nanomaterials through modular self-assembly of an asymmetric hybrid polyoxometalate (2020)
Journal Article
Hampson, E., Cameron, J. M., Watts, J. A., & Newton, G. N. (2020). Transition metal decorated soft nanomaterials through modular self-assembly of an asymmetric hybrid polyoxometalate. Chemical Communications, 56, 8237-8240. https://doi.org/10.1039/d0cc03554h

An asymmetrically functionalised Wells–Dawson organic–inorganic hybrid polyoxometalate has been post-functionalised by Pt2+ coordination, and demonstrates self-assembly into surface-decorated micellar nanostructures. This multifunctional hybrid mater... Read More about Transition metal decorated soft nanomaterials through modular self-assembly of an asymmetric hybrid polyoxometalate.

Development of a Corynebacterium glutamicum bio-factory for self-sufficient transaminase reactions (2020)
Journal Article
Grigoriou, S., Kugler, P., Kulcinskaja, E., Walter, F., King, J., Hill, P., …O'Reilly, E. (2020). Development of a Corynebacterium glutamicum bio-factory for self-sufficient transaminase reactions. Green Chemistry, 22(13), 4128-4132. https://doi.org/10.1039/d0gc01432j

The development of biocatalytic routes for the synthesis of chiral amines starting from achiral building blocks is highly desirable. Here, we report a self-sufficient whole-cell system for the conversion of a model ketone to the corresponding cyclic... Read More about Development of a Corynebacterium glutamicum bio-factory for self-sufficient transaminase reactions.

On-surface chemical reactions characterised by ultra-high resolution scanning probe microscopy (2020)
Journal Article
Sweetman, A., Champness, N. R., & Saywell, A. (2020). On-surface chemical reactions characterised by ultra-high resolution scanning probe microscopy. Chemical Society Reviews, 49(13), 4189-4202. https://doi.org/10.1039/d0cs00166j

In the last decade it has become possible to resolve the geometric structure of organic molecules with intramolecular resolution using high resolution scanning probe microscopy (SPM), and specifically using the subset of SPM known as noncontact atomi... Read More about On-surface chemical reactions characterised by ultra-high resolution scanning probe microscopy.

Thermally-Stable Imidazolium Dicationic Ionic Liquids with Pyridine Functional Groups (2020)
Journal Article
Clarke, C. J., Bui-Le, L., Hallett, J. P., & Licence, P. (2020). Thermally-Stable Imidazolium Dicationic Ionic Liquids with Pyridine Functional Groups. ACS Sustainable Chemistry and Engineering, 8(23), 8762-8772. https://doi.org/10.1021/acssuschemeng.0c02473

Thermally-stable ionic liquids (ILs) have limited structural possibilities and lack coordinating anions or functional groups. Thermal stability effectively incurs a tunability penalty, limiting ionic liquid function to render them as simple heat-stab... Read More about Thermally-Stable Imidazolium Dicationic Ionic Liquids with Pyridine Functional Groups.

Variations in Duschinsky rotations in m-fluorotoluene and m-chlorotoluene during excitation and ionization (2020)
Journal Article
Davies, A. R., Kemp, D. J., Warner, L. G., Fryer, E. F., Rees, A., & Wright, T. G. (2020). Variations in Duschinsky rotations in m-fluorotoluene and m-chlorotoluene during excitation and ionization. Journal of Chemical Physics, 152(21), Article 214303. https://doi.org/10.1063/5.0009391

We investigate Duschinsky rotation/mixing between three vibrations for both m-fluorotoluene (mFT) and m-chlorotoluene (mClT), during electronic excitation and ionization. In the case of mFT, we investigate both the S1 → S0 electronic transition and t... Read More about Variations in Duschinsky rotations in m-fluorotoluene and m-chlorotoluene during excitation and ionization.

Neoproterozoic Nafun Group Sediments from Oman Affected by an Active Continental Margin (2020)
Journal Article
Yue, L., & Vandeginste, V. (2020). Neoproterozoic Nafun Group Sediments from Oman Affected by an Active Continental Margin. Minerals, 10(6), Article 511. https://doi.org/10.3390/min10060511

The Neoproterozoic era is a time of major environmental change in Earth history. The Ediacaran period (635–541 Ma), the uppermost division of Precambrian time, is characterized by the remarkable Shuram excursion (largest C isotope negative excursion)... Read More about Neoproterozoic Nafun Group Sediments from Oman Affected by an Active Continental Margin.

The Interaction of Hydrogen with the van der Waals Crystal γ-InSe (2020)
Journal Article
Felton, J., Blundo, E., Ling, S., Glover, J., Kudrynskyi, Z. R., Makarovsky, O., …Patané, A. (2020). The Interaction of Hydrogen with the van der Waals Crystal γ-InSe. Molecules, 25(11), Article 2526. https://doi.org/10.3390/molecules25112526

The emergence of the hydrogen economy requires development in the storage, generation and sensing of hydrogen. The indium selenide (γ-InSe) van der Waals (vdW) crystal shows promise for technologies in all three of these areas. For these applications... Read More about The Interaction of Hydrogen with the van der Waals Crystal γ-InSe.