Daniel R. Jones
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View article: Leading-Digit Patterns from Smart Water Meters
Leading-Digit Patterns from Smart Water Meters Open
As infrastructure develops and adoption of smart water meters increases, new techniques are needed to validate and learn from the large datasets they produce. Patterns of leading digits (i.e., first non-zero digits, 1 through 9) can suppor…
View article: Discovery of a Novel Class of <scp>d</scp> -Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform
Discovery of a Novel Class of <span>d</span> -Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform Open
d-Serine is a coagonist of the N-methyl d-aspartate (NMDA) receptor, a key excitatory neurotransmitter receptor. In the brain, d-serine is synthesized from its l-isomer by serine racemase and is metabolized by the D-amino acid oxida…
View article: Lilypad aggregation: localised self-assembly and metal sequestration at a liquid–vapour interface
Lilypad aggregation: localised self-assembly and metal sequestration at a liquid–vapour interface Open
Lilypad aggregates are localised spheroidal soft materials formed by the non-equilibrium self-assembly of colloids at a liquid–vapour interface.
View article: Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering
Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering Open
We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtain…
View article: Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering
Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering Open
We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtain…
View article: Selective Hydrogenation of Levulinic Acid Using Ru/C Catalysts Prepared by Sol-Immobilisation
Selective Hydrogenation of Levulinic Acid Using Ru/C Catalysts Prepared by Sol-Immobilisation Open
A 1% Ru/C catalyst prepared by the sol immobilization method showed a high yield of γ-valerolactone from levulinic acid. We performed an optimization of the catalyst by varying the preparation variables involved in the sol immobilization m…
View article: <i>x</i>Ni–<i>y</i>Cu–ZrO<sub>2</sub> catalysts for the hydrogenation of levulinic acid to gamma valorlactone
<i>x</i>Ni–<i>y</i>Cu–ZrO<sub>2</sub> catalysts for the hydrogenation of levulinic acid to gamma valorlactone Open
We have investigated xNi–yCu–ZrO2 catalysts for the selective synthesis of γ-valerolactone from levulinic acid (LA). A series of xNi–yCu–ZrO2 catalysts with a consistent metal loading of 50% but varying Ni and Cu composition were prepared …
View article: Cascade cyclisation reactions and their application toward the synthesis of lactonamycin
Cascade cyclisation reactions and their application toward the synthesis of lactonamycin Open
The lactonamycins represent a class of natural products which possess significant biological activity with high potencies in cancer cell lines and against multi-drug resistant strains of bacterial infections. Here, a cascade cyclisation, d…
View article: CCDC 1538943: Experimental Crystal Structure Determination
CCDC 1538943: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Reproducibility in density functional theory calculations of solids
Reproducibility in density functional theory calculations of solids Open
A comparison of DFT methods Density functional theory (DFT) is now routinely used for simulating material properties. Many software packages are available, which makes it challenging to know which are the best to use for a specific calcula…
View article: An investigation of the effect of carbon support on ruthenium/carbon catalysts for lactic acid and butanone hydrogenation
An investigation of the effect of carbon support on ruthenium/carbon catalysts for lactic acid and butanone hydrogenation Open
A series of ruthenium catalysts supported on two different carbons were tested for the hydrogenation of lactic acid to 1,2-propanediol and butanone to 2-butanol.
View article: CCDC 1425380: Experimental Crystal Structure Determination
CCDC 1425380: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Pd–Ru/TiO<sub>2</sub> catalyst – an active and selective catalyst for furfural hydrogenation
Pd–Ru/TiO<sub>2</sub> catalyst – an active and selective catalyst for furfural hydrogenation Open
The selective hydrogenation of furfural at ambient temperature has been investigated using a Pd/TiO2 catalyst.