All Outputs (10)

Bn2DT3A, a Chelator for 68Ga Positron Emission Tomography: Hydroxide Coordination Increases Biological Stability of [68Ga][Ga(Bn2DT3A)(OH)]− (2022)
Journal Article
Price, T. W., Renard, I., Prior, T. J., Kubíček, V., Benoit, D. M., Archibald, S. J., …Stasiuk, G. J. (2022). Bn2DT3A, a Chelator for 68Ga Positron Emission Tomography: Hydroxide Coordination Increases Biological Stability of [68Ga][Ga(Bn2DT3A)(OH)]−. Inorganic chemistry, 61(43), 17059–17067. https://doi.org/10.1021/acs.inorgchem.2c01992

The chelator Bn2DT3A was used to produce a novel 68Ga complex for positron emission tomography (PET). Unusually, this system is stabilized by a coordinated hydroxide in aqueous solutions above pH 5, which confers sufficient stability for it to be use... Read More about Bn2DT3A, a Chelator for 68Ga Positron Emission Tomography: Hydroxide Coordination Increases Biological Stability of [68Ga][Ga(Bn2DT3A)(OH)]−.

Utilisation of CO2 as “Structure Modifier” of Inorganic Solids (2021)
Journal Article
Francesconi, M. G., Bennett, M. J., Benoit, D., & Dobson, I. (2022). Utilisation of CO2 as “Structure Modifier” of Inorganic Solids. Chemistry: a European journal, 28(6), Article e202103608. https://doi.org/10.1002/chem.202103608

Utilisation of CO2 as a chemical reagent is challenging, due to the molecule’s inherent chemical stability. However, CO2 reacts promptly at high temperature (~1000 C) with alkaline-earth oxides to form carbonates and such reactions are used towards... Read More about Utilisation of CO2 as “Structure Modifier” of Inorganic Solids.

The inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart (2019)
Journal Article
Onwuli, D. O., Samuel, S., Sfyri, P., Welham, K., Goddard, M., Abu-Omar, Y., Loubani, M., Rivero, F., Matsakas, A., Benoit, D. M., Wade, M., Greenman, J., & Beltran-Alvarez, P. (2019). The inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart. International journal of cardiology, 282, 76-80. https://doi.org/10.1016/j.ijcard.2019.01.102

Background The inhibitory subunit of cardiac troponin (cTnI) is a gold standard cardiac biomarker and also an essential protein in cardiomyocyte excitation-contraction coupling. The interactions of cTnI with other proteins are fine-tuned by post-tra... Read More about The inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart.

Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity (2018)
Journal Article
Chen, L., Vivier, E., Eling, C. J., Babra, T. S., Bouillard, J. S. G., Adawi, A. M., Benoit, D. M., Hartl, F., Colquhoun, H. M., Efremova, O. A., & Greenland, B. W. (2018). Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity. Synthetic Metals, 241, 31-38. https://doi.org/10.1016/j.synthmet.2018.03.019

© 2018 An iterative synthesis has been used to produce conjugated, monodisperse, viologen-based aromatic oligomers containing up to 12 aromatic/heterocyclic rings. The methoxy-substituted oligomers were soluble in common organic solvents and could be... Read More about Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity.

23-electron octahedral molybdenum cluster complex [{Mo 6 I 8 }Cl 6 ] – (2017)
Journal Article
Syrokvashin, M. M., Vorotnikova, N. A., Vorotnikov, Y. A., Novozhilov, I. N., Syrokvashin, M. М., Nadolinny, V. A., Kuratieva, N. V., Benoit, D. M., Mironov, Y. V., Walton, R. I., Clarkson, G. J., Kitamura, N., Sutherland, A. J., Shestopalov, M. A., & Efremova, O. A. (2018). 23-electron octahedral molybdenum cluster complex [{Mo 6 I 8 }Cl 6 ] –. Inorganic chemistry, 57(2), https://doi.org/10.1021/acs.inorgchem.7b02760

Photoactive transition metal compounds that are prone to reversible redox reactions are important for myriad applications, including catalysis, optoelectronics and sensing. This article describes chemical and electro-chemical methods to prepare clust... Read More about 23-electron octahedral molybdenum cluster complex [{Mo 6 I 8 }Cl 6 ] –.

Octahedral molybdenum cluster complexes with aromatic sulfonate ligands (2016)
Journal Article
Efremova, O. A., Vorotnikov, Y. A., Brylev, K. A., Vorotnikova, N. A., Novozhilov, I. N., Kuratieva, N. V., Edeleva, M. V., Benoit, D. M., Kitamura, N., Mironov, Y. V., Shestopalov, M. A., & Sutherland, A. J. (2016). Octahedral molybdenum cluster complexes with aromatic sulfonate ligands. Dalton Transactions : an international journal of inorganic chemistry, 45(39), 15427-15435. https://doi.org/10.1039/c6dt02863b

This article describes the synthesis, structures and systematic study of the spectroscopic and redox properties of a series of octahedral molybdenum metal cluster complexes with aromatic sulfonate ligands (ⁿBu₄N)₂[{Mo₆X₈}(OTs)₆] and (ⁿBu₄N)₂[{Mo₆X₈}(... Read More about Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.

A fragment method for systematic improvement of anharmonic adsorbate vibrational frequencies: Acetylene on Cu(001) (2013)
Journal Article
Chulkov, S. K., & Benoit, D. M. (2013). A fragment method for systematic improvement of anharmonic adsorbate vibrational frequencies: Acetylene on Cu(001). The Journal of chemical physics, 139(21), Article 214704. https://doi.org/10.1063/1.4829461

We suggest a novel method for systematic improvement of anharmonic adsorbate frequencies based on a fragment approach. The calculations are carried out by considering the adsorbed molecule separately and computing an energy correction using high-leve... Read More about A fragment method for systematic improvement of anharmonic adsorbate vibrational frequencies: Acetylene on Cu(001).

The structure of the melamine–cyanuric acid co-crystal (2013)
Journal Article
Prior, T. J., Armstrong, J. A., Benoit, D. M., & Marshall, K. L. (2013). The structure of the melamine–cyanuric acid co-crystal. CrystEngComm RSC, 15(29), 5838-5843. https://doi.org/10.1039/c3ce40709h

The crystal structure of the melamine:cyanuric acid (CA.M) adduct has been redetermined and the previously reported cell is shown to be incorrect. The true unit cell has approximately twice the volume of the earlier cell. Crystal data forCA.M: monocl... Read More about The structure of the melamine–cyanuric acid co-crystal.

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces (2011)
Journal Article
Benoit, D. M., Madebene, B., Ulusoy, I., Mancera, L., Scribano, Y., & Chulkov, S. (2011). Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces. Beilstein journal of nanotechnology, 2(1), 427-447. https://doi.org/10.3762/bjnano.2.48

We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation... Read More about Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces.

Resolution of pentafluorophenyl 2-phenylpropanoate using combinations of quasi-enantiomeric oxazolidin-2-ones (2011)
Journal Article
Al Shaye, N., Benoit, D. M., Chavda, S., Coulbeck, E., Dingjan, M., Eames, J., & Yohannes, Y. (2011). Resolution of pentafluorophenyl 2-phenylpropanoate using combinations of quasi-enantiomeric oxazolidin-2-ones. Tetrahedron: Asymmetry, 22(4), 413-438. https://doi.org/10.1016/j.tetasy.2011.02.022

The kinetic, mutual and parallel resolution of a series of structurally related active esters derived from 2-phenylpropanoic acid using a combination of quasi-enantiomeric oxazolidin-2-ones is discussed.