Outputs (165)

Interpolation of intermolecular potentials using Gaussian processes (2017)
Journal Article

A procedure is proposed to produce intermolecular potential energy surfaces from limited data. The procedure involves generation of geometrical configurations using a Latin hypercube design, with a maximin criterion, based on inverse internuclear dis... Read More about Interpolation of intermolecular potentials using Gaussian processes.

Searching for interstellar C60+ using a new method for high signal-to-noise HST/STIS spectroscopy (2017)
Journal Article

Due to recent advances in laboratory spectroscopy, the first optical detection of a very large molecule has been claimed in the diffuse interstellar medium (ISM): ${{\rm{C}}}_{60}^{+}$ (ionized Buckminsterfullerene). Confirming the presence of this m... Read More about Searching for interstellar C60+ using a new method for high signal-to-noise HST/STIS spectroscopy.

Multi-branched benzylidene ketone based photoinitiators for multiphoton fabrication (2017)
Journal Article

In this article, we report the synthesis of a series of multi-branched benzylidene (BI) ketone-based photo-initiators for two-photon polymerisation based 3D printing/additive manufacturing. Resins prepared by the addition of 1 wt.% of these initiator... Read More about Multi-branched benzylidene ketone based photoinitiators for multiphoton fabrication.

Photophysics of 7-mercapto-4-methylcoumarin and derivatives: complementary fluorescence behaviour to 7-hydroxycoumarins (2017)
Journal Article

The photophysical behaviour of 7-mercapto-4-methylcoumarin (C-SH) and derivatives has been studied in different solvents. In contrast to 7-hydroxy-4-methylcoumarin, C-SH shows poor emission, but high fluorescence when the thiol is alkylated. The orig... Read More about Photophysics of 7-mercapto-4-methylcoumarin and derivatives: complementary fluorescence behaviour to 7-hydroxycoumarins.

Geochemical insight during archaeological geophysical exploration through in situ X?ray fluorescence spectrometry (2017)
Journal Article

Geophysical techniques are widely applied in archaeological exploration, providing rapid and noninvasive site appraisal. Geochemical analyses contribute significantly in archaeometry, but conventional laboratory apparatus requires that samples are re... Read More about Geochemical insight during archaeological geophysical exploration through in situ X?ray fluorescence spectrometry.

Total synthesis of the cyclic dodecapeptides wewakazole and wewakazole B (2017)
Journal Article

The cyclic dodecapeptides wewakazole and wewakazole B have been synthesized by a divergent strategy via a common tris-proline containing oxazole octapeptide and two separate bisoxazole containing tetrapeptide units, followed by peptide coupling and m... Read More about Total synthesis of the cyclic dodecapeptides wewakazole and wewakazole B.

Optimised synthesis and characterisation of 1-adamantyltrimethylphosphonium iodide (2017)
Journal Article

A synthetic route to multigram quantities of 1-adamantyltrimethylphosphonium iodide is reported. The synthesis starts from the commercially available precursor 1-adamantyl bromide and was optimised with respect to yield and ease of purification. The... Read More about Optimised synthesis and characterisation of 1-adamantyltrimethylphosphonium iodide.

Enantioselective Nickel-Catalyzed Intramolecular Allylic Alkenylations Enabled by Reversible Alkenylnickel E /Z Isomerization (2017)
Journal Article

A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase (2017)
Journal Article

SNi or SNi-like mechanisms, in which leaving group departure and nucleophile approach occur on the same ‘front’ face, have been observed previously experimentally and computationally in both the chemical and enzymatic (glycosyltransferase) substituti... Read More about A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.

Enantioselective nickel-catalyzed intramolecular allylic alkenylations enabled by reversible alkenylnickel E/Z isomerization (2017)
Journal Article

Enantioselective nickel-catalyzed arylative cyclizations of substrates containing a Z-allylic phosphate tethered to an alkyne are described. These reactions give multisubstituted chiral aza- and carbocycles, and are initiated by the addition of an ar... Read More about Enantioselective nickel-catalyzed intramolecular allylic alkenylations enabled by reversible alkenylnickel E/Z isomerization.