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On DABAL-Me? promoted formation of amides (2013)
Journal Article
Dubois, N., Glynn, D., Mcinally, T., Rhodes, B., Woodward, S., Irvine, D., & Dodds, C. (2013). On DABAL-Me? promoted formation of amides. Tetrahedron, 69(46), https://doi.org/10.1016/j.tet.2013.08.062

The range and utility of DABAL-Me3 couplings of methyl esters and free carboxylic acids with primary and secondary amines under a variety of conditions (reflux, sealed tube, microwave) has been compared for a significant range of coupling partners of... Read More about On DABAL-Me? promoted formation of amides.

Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation (2013)
Journal Article
Powell, A. S., Stoeva, Z., Lord, J. S., Smith, R. I., Gregory, D. H., & Titman, J. J. (2013). Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation. Physical Chemistry Chemical Physics, 15(3), https://doi.org/10.1039/c2cp43318d

Muon spin relaxation and powder neutron diffraction have been combined to study three lithium cobalt nitride battery materials. Neutron diffraction shows that these retain the P6/mmm space group of Li3N with Co located only on Li(1) sites. The lattic... Read More about Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation.

Click chemistry in carbon nanoreactors (2012)
Journal Article
Rance, G. A., Solomonsz, W. A., & Khobystov, A. N. (2013). Click chemistry in carbon nanoreactors. Chemical Communications, 49(11), https://doi.org/10.1039/C2CC38035H

Copper-nanoparticle catalytic centres anchored at the 5 graphitic step-edges within hollow carbon nanoreactors exhibit superior activity and stability in cycloaddition reactions as compared to catalytic centres outside the nanoreactors. Nanoscale con... Read More about Click chemistry in carbon nanoreactors.

PASCal: a principal axis strain calculator for thermal expansion and compressibility determination (2012)
Journal Article
Cliffe, M. J., & Goodwin, A. L. (2012). PASCal: a principal axis strain calculator for thermal expansion and compressibility determination. Journal of Applied Crystallography, 45(6), 1321-1329. https://doi.org/10.1107/s0021889812043026

This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and... Read More about PASCal: a principal axis strain calculator for thermal expansion and compressibility determination.

Nanomaterial-based electrochemical biosensors for cytochrome c using cytochrome c reductase (2012)
Journal Article
Pandiaraj, M., Madasamy, T., Naidu Gollavilli, P., Balamurugan, M., Kotamraju, S., Kameswara Rao, V., …Karunakaran, C. (2013). Nanomaterial-based electrochemical biosensors for cytochrome c using cytochrome c reductase. Bioelectrochemistry, 91, 1-7. https://doi.org/10.1016/j.bioelechem.2012.09.004

Emerging evidences have pointed out that the release of cytochrome c (cyt c) from mitochondria into cytosol is a critical step in the activation of apoptosis. This article presents a novel approach for the detection of mitochondrial cyt c release for... Read More about Nanomaterial-based electrochemical biosensors for cytochrome c using cytochrome c reductase.

Incorporation of paramagnetic, fluorescent and PET/SPECT contrast agents into liposomes for multimodal imaging (2012)
Journal Article
Mitchell, N. J., Kalber, T. L., Cooper, M. S., Sunassee, K., Chalker, S. L., Shaw, K. P., …Tabor, A. B. (2013). Incorporation of paramagnetic, fluorescent and PET/SPECT contrast agents into liposomes for multimodal imaging. Biomaterials, 34(4), 1179-1192. https://doi.org/10.1016/j.biomaterials.2012.09.070

A series of metal-chelating lipid conjugates has been designed and synthesized. Each member of the series bears a 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) macrocycle attached to the lipid head group, using short n-ethylene glyc... Read More about Incorporation of paramagnetic, fluorescent and PET/SPECT contrast agents into liposomes for multimodal imaging.

Combinatorial discovery of polymers resistant to bacterial attachment (2012)
Journal Article
Hook, A. L., Chang, C., Yang, J., Luckett, J., Cockayne, A., Atkinson, S., …Alexander, M. R. (2012). Combinatorial discovery of polymers resistant to bacterial attachment. Nature Biotechnology, 30(9), 868-875. https://doi.org/10.1038/nbt.2316

Bacterial attachment and subsequent biofilm formation pose key challenges to the optimal performance of medical devices. In this study, we determined the attachment of selected bacterial species to hundreds of polymeric materials in a high-throughput... Read More about Combinatorial discovery of polymers resistant to bacterial attachment.

Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond (2012)
Journal Article
Do, H., & Besley, N. A. (2012). Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond. Journal of Physical Chemistry A, 116(33), https://doi.org/10.1021/jp305807z

The copper-sulphur bond which binds cysteinate to the metal centre is a key factor in the spectroscopy of blue copper proteins. We present theoretical calculations describing the electronically excited states of small molecules, including CuSH, CuSCH... Read More about Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond.

Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study (2012)
Journal Article
Ferullo, R. M., Granados, A., Lanterna, A., Güida, J. A., Piro, O. E., Castellano, E. E., & Dennehy, M. (2013). Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study. Journal of Molecular Structure, 1032, 48-55. https://doi.org/10.1016/j.molstruc.2012.07.043

The title compound, (thiosaccharine disulfide), bis[1,1′dioxide-2,3-dihidro-1,2-benzoisothiazol]disulfide, (tsac)2 has been synthesized and fully characterized by UV–Visible, IR, Raman, 1H and 13C NMR spectroscopy elemental analysis and structural X-... Read More about Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study.

A partially interpenetrated metal-organic framework for selective hysteretic sorption of carbon dioxide (2012)
Journal Article
Yang, S., Lin, X., Lewis, W., Suyetin, M., Bichoutskaia, E., Parker, J. E., …Schröder, M. (2012). A partially interpenetrated metal-organic framework for selective hysteretic sorption of carbon dioxide. Nature Materials, 11(8), 710-716. https://doi.org/10.1038/nmat3343

The selective capture of carbon dioxide in porous materials has potential for the storage and purification of fuel and flue gases. However, adsorption capacities under dynamic conditions are often insufficient for practical applications, and strategi... Read More about A partially interpenetrated metal-organic framework for selective hysteretic sorption of carbon dioxide.

When Nanoparticle Size and Molecular Geometry Matter: Analyzing the Degree of Surface Functionalization of Gold Nanoparticles with Sulfur Heterocyclic Compounds (2012)
Journal Article
Lanterna, A. E., Coronado, E. A., & Granados, A. M. (2012). When Nanoparticle Size and Molecular Geometry Matter: Analyzing the Degree of Surface Functionalization of Gold Nanoparticles with Sulfur Heterocyclic Compounds. Journal of Physical Chemistry C, 116(11), 6520-6529. https://doi.org/10.1021/jp209816g

The degree of surface functionalization of colloidal dispersions of Au nanoparticles (AuNPs) by sulfur heterocyclic compounds is determined using localized surface plasmon resonance spectroscopy (LSPRS), morphological characterization, and electrodyn... Read More about When Nanoparticle Size and Molecular Geometry Matter: Analyzing the Degree of Surface Functionalization of Gold Nanoparticles with Sulfur Heterocyclic Compounds.

On the control of secondary carbanion structure utilising ligand effects during directed metallation (2012)
Journal Article
Wheatley, A. E., Clayden, J., Hillier, I. H., Campbell Smith, A., Vincent, M. A., Taylor, L. J., & Haywood, J. (2012). On the control of secondary carbanion structure utilising ligand effects during directed metallation. Beilstein Journal of Organic Chemistry, 8, 50-60. https://doi.org/10.3762/bjoc.8.5

N,N-Diisopropyl-2-propylbenzamide 6-H undergoes lateral deprotonation by t-BuLi in the presence of the Lewis base PMDTA (N,N,N′,N″,N″-pentamethyldiethylenetriamine) to give a benzyllithium 6-Lil·PMDTA that incorporates a trigonal planar secondary car... Read More about On the control of secondary carbanion structure utilising ligand effects during directed metallation.

Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain (2011)
Journal Article
Hussain, A., Shaw, P., & Hirst, J. (2011). Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain. Journal of Cheminformatics, 3(49), https://doi.org/10.1186/1758-2946-3-49

Background: The Elk-1 transcription factor is a member of a group of proteins called ternary complex factors, which serve as a paradigm for gene regulation in response to extracellular signals. Its deregulation has been linked to multiple human dise... Read More about Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain.

A novel synthesis and detection method for cap-associated adenosine modifications in mouse mRNA (2011)
Journal Article
Kruse, S., Zhong, S., Bodi, Z., Button, J., Alcocer, M. J., Hayes, C. J., & Fray, R. (2011). A novel synthesis and detection method for cap-associated adenosine modifications in mouse mRNA. Scientific Reports, 1, https://doi.org/10.1038/srep00126

A method is described for the detection of certain nucleotide modifications adjacent to the 5' 7-methyl guanosine cap of mRNAs from individual genes. The method quantitatively measures the relative abundance of 2'-O-methyl and N 6.

Untwisting of the DNA helix stimulates the endonuclease activity of Bacillus subtilis Nth at AP sites (2011)
Journal Article
Collier, C., Machon, C., Briggs, G. S., Smits, W. K., & Soultanas, P. (2011). Untwisting of the DNA helix stimulates the endonuclease activity of Bacillus subtilis Nth at AP sites. Nucleic Acids Research, 40(2), https://doi.org/10.1093/nar/gkr785

Bacterial nucleoid associated proteins play a variety of roles in genome maintenance and dynamics. Their involvement in genome packaging, DNA replication and transcription are well documented but it is still unclear whether they play any specific rol... Read More about Untwisting of the DNA helix stimulates the endonuclease activity of Bacillus subtilis Nth at AP sites.

Carbon nanotube/titanium dioxide (CNT/TiO2) core-shell nanocomposites with tailored shell thickness, CNT content and photocatalytic/photoelectrocatalytic properties (2011)
Journal Article
Li, Z., Gao, B., Chen, G. Z., Mokaya, R., Sotiropoulos, S., & Li Puma, G. (2011). Carbon nanotube/titanium dioxide (CNT/TiO2) core-shell nanocomposites with tailored shell thickness, CNT content and photocatalytic/photoelectrocatalytic properties. Applied Catalysis B: Environmental, 110, 50-57. https://doi.org/10.1016/j.apcatb.2011.08.023

Combining carbon nanotubes (CNTs) with TiO2 at the nano-scale level can promote the separation of the electron-hole charges generated upon irradiation. However, charge separation capability depends on the quality of the interfacial contact between CN... Read More about Carbon nanotube/titanium dioxide (CNT/TiO2) core-shell nanocomposites with tailored shell thickness, CNT content and photocatalytic/photoelectrocatalytic properties.

Single-Molecule AFM Characterization of Individual Chemically Tagged DNA Tetrahedra (2011)
Journal Article
Leitner, M., Mitchell, N. J., Kastner, M., Schlapak, R., Gruber, H. J., Hinterdorfer, P., …Ebner, A. (2011). Single-Molecule AFM Characterization of Individual Chemically Tagged DNA Tetrahedra. ACS Nano, 5(9), 7048-7054. https://doi.org/10.1021/nn201705p

Single-molecule characterization is essential for ascertaining the structural and functional properties of bottom-up DNA nanostructures. Here we enlist three atomic force microscopy (AFM) techniques to examine tetrahedron-shaped DNA nanostructures th... Read More about Single-Molecule AFM Characterization of Individual Chemically Tagged DNA Tetrahedra.

Molecular dynamics simulations using graphics processing units (2011)
Journal Article
Baker, J., & Hirst, J. (2011). Molecular dynamics simulations using graphics processing units. Molecular Informatics, 30(6-7), https://doi.org/10.1002/minf.201100042

It is increasingly easy to develop software that exploits Graphics Processing Units (GPUs). The molecular dynamics simulation community has embraced this recent opportunity. Herein, we outline the current approaches that exploit this technology. In t... Read More about Molecular dynamics simulations using graphics processing units.

Scanning electrochemical microscopy at thermal sprayed anti-corrosion coatings: effect of thermal spraying on heterogeneous electron transfer kinetics (2011)
Journal Article
Niaz, A., Boatwright, A., Voisey, K., & Walsh, D. A. (2011). Scanning electrochemical microscopy at thermal sprayed anti-corrosion coatings: effect of thermal spraying on heterogeneous electron transfer kinetics. Journal of Electroanalytical Chemistry, 657(1-2), https://doi.org/10.1016/j.jelechem.2011.03.009

The effect of thermal spraying on the electrochemical activity of an anti-corrosion superalloy was studied quantitatively using scanning electrochemical microscopy (SECM). The superalloy used was Inconel 625 (a Ni base superalloy) and thin coatings o... Read More about Scanning electrochemical microscopy at thermal sprayed anti-corrosion coatings: effect of thermal spraying on heterogeneous electron transfer kinetics.