All Outputs (97)

Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy (2014)
Journal Article
Harris, J. P., Andrejeva, A., Tuttle, W. D., Pugliesi, I., Schriever, C., & Wright, T. G. (2014). Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy. Journal of Chemical Physics, 141(24), Article 244315. https://doi.org/10.1063/1.4904706

We report resonance-enhanced multiphoton ionization spectra of the isotopologues fluorobenzeneh5 and fluorobenzene-d5. By making use of quantum chemical calculations, the changes in the wavenumber of the vibrational modes upon deuteration are examine... Read More about Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy.

Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library (2014)
Journal Article
Storr, T. E., Cully, S. J., Rawling, M. J., Lewis, W., Hamza, D., Jones, G., & Stockman, R. A. (2015). Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library. Bioorganic and Medicinal Chemistry, 23(11), https://doi.org/10.1016/j.bmc.2014.12.050

The application of a tandem condensation/cyclisation/[3+2]-cycloaddition/elimination reaction gives an sp3-rich tricyclic pyrazoline scaffold with two ethyl esters in a single step from a simple linear starting material. The successive hydrolysis and... Read More about Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library.

Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials (2014)
Journal Article
Do, H., & Besley, N. A. (2014). Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials. Physical Chemistry Chemical Physics, 17(5), 3898-3908. https://doi.org/10.1039/c4cp05424e

© the Owner Societies 2015. Vibrational frequencies for carbon clusters, fullerenes and nanotubes evaluated using empirical carbon-carbon potentials are presented. For linear and cyclic clusters, frequencies evaluated with the reactive empirical bond... Read More about Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials.

Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases (2014)
Journal Article
Jenner, M., Afonso, J. P., Bailey, H. R., Frank, S., Kampa, A., Piel, J., & Oldfield, N. J. (2015). Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases. Angewandte Chemie International Edition, 54(6), https://doi.org/10.1002/anie.201410219

Type I modular polyketide synthases (PKSs), responsible for the biosynthesis of many biologically active agents, possess a ketosynthase (KS) domain within each module to catalyze chain elongation. Acylation of the KS active site Cys residue is foll... Read More about Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases.

Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors (2014)
Journal Article
Penders, I. G. T. M., Amara, Z., Horvath, R., Rossen, K., Poliakoff, M., & George, M. W. (in press). Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors. RSC Advances, 5(9), https://doi.org/10.1039/c4ra15588b

The photocatalytic oxidation of mono- and di-substituted arylboronic acids to phenols has been investigated using a continuous flow photoreactor fitted with white LEDs. An EtOH–H2O solvent system accelerated conversion at 2 MPa; whereas reactions at... Read More about Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors.

Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly (2014)
Journal Article
Slater, A. G., Hu, Y., Yang, L., Argent, S. P., Lewis, W., Blunt, M. O., & Champness, N. R. (in press). Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly. RSC Advances, 6, https://doi.org/10.1039/C4SC03531C

The synthesis and surface-based self-assembly of thymine-functionalised porphyrins is described. Reaction of 1-formylphenyl-3-benzoyl-thymine with suitable pyrollic species leads to the formation of tetra-(phenylthymine)porphyrin (tetra-TP) or mono-t... Read More about Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly.

Adsorbate-induced curvature and stiffening of graphene (2014)
Journal Article
Svatek, S. A., Scott, O. R., Rivett, J. P., Wright, K., Baldoni, M., Bichoutskaia, E., …Beton, P. H. (2015). Adsorbate-induced curvature and stiffening of graphene. Nano Letters, 15(1), https://doi.org/10.1021/nl503308c

The adsorption of the alkane tetratetracontane (TTC, C44H90) on graphene induces the formation of a curved surface stabilized by a gain in adsorption energy. This effect arises from a curvature-dependent variation of a moiré pattern due to the mismat... Read More about Adsorbate-induced curvature and stiffening of graphene.

Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate (2014)
Journal Article
Schwehm, C., Lewis, W., Blake, A. J., Kellam, B., & Stocks, M. J. (2014). Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate. Acta Crystallographica Section C: Structural Chemistry, 70(12), 1161-1168. https://doi.org/10.1107/s205322961402436x

Bicycle ring closure on a mixture of (4aS,8aR)- and (4aR,8aS)-ethyl 2-oxodecahydro-1,6-naphthyridine-6-carboxylate, followed by conversion of the separated cis and trans isomers to the corresponding thioamide derivatives, gave (4aSR,8aRS)-ethyl 2-sul... Read More about Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate.

Switching intermolecular interactions by confinement in carbon nanotubes (2014)
Journal Article
Chamberlain, T., Lebedeva, M., Abuajwa, W., Suyetin, M., Lewis, W., Bichoutskaia, E., …Khlobystov, A. N. (2015). Switching intermolecular interactions by confinement in carbon nanotubes. Chemical Communications, 51(4), 648-651. https://doi.org/10.1039/c4cc08029g

The encapsulation of trityl-functionalised C60 molecules inside carbon nanotubes drastically affects the intermolecular interactions for this species. Whilst the orientations of molecules in the crystal are often controlled by thermodynamics, the mol... Read More about Switching intermolecular interactions by confinement in carbon nanotubes.

Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors (2014)
Journal Article
Liew, S. Y., Thielemans, W., & Walsh, D. A. (2014). Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors. Journal of Solid State Electrochemistry, 18(12), https://doi.org/10.1007/s10008-014-2669-7

The formation and characterisation of films of polyaniline (PANI) and poly(ethylenedioxythiophene) (PEDOT) containing cellulose nanocrystals (CNXLs) from cotton are described. PANI/CNXL films were electrodeposited from a solution containing CNXLs, HC... Read More about Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors.

Porous macromolecular dihydropyridyl frameworks exhibiting catalytic and halochromic activity (2014)
Journal Article
Xiao, B., Easun, T. L., Dhakshinamoorthy, A., Cebula, I., Beton, P. H., Titman, J. J., …Schröder, M. (2014). Porous macromolecular dihydropyridyl frameworks exhibiting catalytic and halochromic activity. Journal of Materials Chemistry A, 2(46), 19889-19896. https://doi.org/10.1039/c4ta02521k

New porous macromolecular frameworks (PMFs) have been designed and prepared by the condensation of dialdehydes with aminoacrylonitriles. Two porous materials were prepared by reacting 3,3′-benzene-1,4-diylbis(3-aminoprop-2-enenitrile) with benzene-1,... Read More about Porous macromolecular dihydropyridyl frameworks exhibiting catalytic and halochromic activity.

Short and Efficient Syntheses of Protoberberine Alkaloids using Palladium-Catalyzed Enolate Arylation (2014)
Journal Article
Gatland, A. E., Pilgrim, B. S., Procopiou, P. A., & Donohoe, T. J. (2014). Short and Efficient Syntheses of Protoberberine Alkaloids using Palladium-Catalyzed Enolate Arylation. Angewandte Chemie International Edition, 53(52), 14555-14558. https://doi.org/10.1002/anie.201409164

A concise synthesis of the biologically active alkaloid berberine is reported, and a versatile palladium?catalyzed enolate arylation is used to form the isoquinoline core. The overall yield of 50?% is a large improvement over the single, previous syn... Read More about Short and Efficient Syntheses of Protoberberine Alkaloids using Palladium-Catalyzed Enolate Arylation.

A cost-effective volume miniaturized and microcontroller based cytochrome c assay (2014)
Journal Article
Pandiaraj, M., Benjamin, A. R., Madasamy, T., Vairamani, K., Arya, A., Sethy, N. K., …Karunakaran, C. (2014). A cost-effective volume miniaturized and microcontroller based cytochrome c assay. Sensors and Actuators A: Physical, 220, 290-297. https://doi.org/10.1016/j.sna.2014.10.018

In this paper, a portable, cost-effective electrochemical assay is presented for rapid, sensitive, and quantitative detection of cytochrome c (cyt c) release. The developed cyt c assay consists of two parts: (i) a miniaturized electrochemical biosens... Read More about A cost-effective volume miniaturized and microcontroller based cytochrome c assay.

U-III{N(SiMe(2)tBu)(2)}(3) : A Structurally Authenticated Trigonal Planar Actinide Complex (2014)
Journal Article
Goodwin, C. A., McMsater, J., Tuna, F., McInnes, E. J., Liddle, S. T., Vitorica?Yrezabal, I. J., & Mills, D. P. (2014). U-III{N(SiMe(2)tBu)(2)}(3) : A Structurally Authenticated Trigonal Planar Actinide Complex. Chemistry - A European Journal, 20(45), 14579-14583. https://doi.org/10.1002/chem.201404864

Ligand selectivity in stabilising tandem parallel folded G-quadruplex motifs in human telomeric DNA sequences (2014)
Journal Article
Cousins, A. R., Searle, M. S., Ritson, D., Sharma, P., Stevens, M. F., & Moses, J. E. (2014). Ligand selectivity in stabilising tandem parallel folded G-quadruplex motifs in human telomeric DNA sequences. Chemical Communications, 50(96), 15202-15205. https://doi.org/10.1039/c4cc07487d

© The Royal Society of Chemistry 2014. Biophysical studies of ligand interactions with three human telomeric repeat sequences (d(AGGG(TTAGGG)n, n = 3, 7 and 11)) show that an oxazole-based 'click' ligand, which induces parallel folded quadruplexes, p... Read More about Ligand selectivity in stabilising tandem parallel folded G-quadruplex motifs in human telomeric DNA sequences.

A new pathway for heterogenization of molecular catalysts by non-covalent interactions with carbon nanoreactors (2014)
Journal Article
Schröder, M. (2014). A new pathway for heterogenization of molecular catalysts by non-covalent interactions with carbon nanoreactors. Chemistry of Materials, 26(22), https://doi.org/10.1021/cm502986d

A novel approach to heterogenisation of catalytic molecules is demonstrated using the nanoscale graphitic step-edges inside hollow graphitised carbon nanofibres (GNFs). The presence of the fullerene C60 moiety within a fullerene-salen CuII complex is... Read More about A new pathway for heterogenization of molecular catalysts by non-covalent interactions with carbon nanoreactors.

Intramolecular bonds resolved on a semiconductor surface (2014)
Journal Article
Sweetman, A., Jarvis, S. P., Rahe, P., Champness, N. R., Kantorovich, L., & Moriarty, P. (2014). Intramolecular bonds resolved on a semiconductor surface. Physical review B: Condensed matter and materials physics, 90(16), https://doi.org/10.1103/PhysRevB.90.165425

Noncontact atomic force microscopy (NC-AFM) is now routinely capable of obtaining submolecular resolution, readily resolving the carbon backbone structure of planar organic molecules adsorbed on metal substrates. Here we show that the same resolution... Read More about Intramolecular bonds resolved on a semiconductor surface.

Two-directional synthesis and biological evaluation of alkaloid 5-epi-cis-275B? (2014)
Journal Article
Procopiou, G., Aggarwal, P., Newton, A. F., Richards, D., Mellor, I. R., Harbottle, G., & Stockman, R. A. (2014). Two-directional synthesis and biological evaluation of alkaloid 5-epi-cis-275B?. Chemical Communications, 50(97), 15355-15357. https://doi.org/10.1039/c4cc07287a

© 2014 The Royal Society of Chemistry. The first total synthesis of myrmicine ant alkaloid 5-epi-cis-275B′ (4) is presented. A tandem cyclisation established the entire core of the structure in a single transformation as well as the required 2,5-anti... Read More about Two-directional synthesis and biological evaluation of alkaloid 5-epi-cis-275B?.

Molecular simulations and visualization: introduction and overview (2014)
Journal Article
Hirst, J., Glowacki, D., & Baaden, M. (2014). Molecular simulations and visualization: introduction and overview. Faraday Discussions, 169, https://doi.org/10.1039/C4FD90024C

Here we provide an introduction and overview of current progress in the field of molecular simulation and visualization, touching on the following topics: (1) virtual and augmented reality for immersive molecular simulations; (2) advanced visualizati... Read More about Molecular simulations and visualization: introduction and overview.

Resonance-enhanced multiphoton ionization spectroscopy oflaser-ablated copper atoms (2014)
Journal Article
Andrejeva, A., Harris, J. P., & Wright, T. G. (2014). Resonance-enhanced multiphoton ionization spectroscopy oflaser-ablated copper atoms. Chemical Physics Letters, 613, https://doi.org/10.1016/j.cplett.2014.08.052

Resonance-enhanced multiphoton ionization (REMPI) spectra of laser-ablated copper atoms entrainedin a supersonic free jet expansion are reported. Depending on the ionization scheme employed, andthe conditions under which the copper atoms are produced... Read More about Resonance-enhanced multiphoton ionization spectroscopy oflaser-ablated copper atoms.