All Outputs (1461)

Internally quenched peptides for the study of lysostaphin: An antimicrobial protease that kills Staphylococcus aureus (2006)
Journal Article
Warfield, R., Bardelang, P., Saunders, H., Chan, W. C., Penfold, C., James, R., & Thomas, N. R. (2006). Internally quenched peptides for the study of lysostaphin: An antimicrobial protease that kills Staphylococcus aureus. Organic and Biomolecular Chemistry, 4(19), 3626-3638. https://doi.org/10.1039/b607999g

Lysostaphin (EC. 3.4.24.75) is a protein secreted by Staphylococcus simulans biovar staphylolyticus and has been shown to be active against methicillin resistant S. aureus (MRSA). The design and synthesis of three internally quenched substrates for l... Read More about Internally quenched peptides for the study of lysostaphin: An antimicrobial protease that kills Staphylococcus aureus.

The Bacillus subtilis primosomal protein DnaD untwists supercoiled DNA (2006)
Journal Article
Zhang, W., Allen, S., Roberts, C. J., & Soultanas, P. (2006). The Bacillus subtilis primosomal protein DnaD untwists supercoiled DNA. Journal of Bacteriology, 188(15), https://doi.org/10.1128/JB.00339-06

The essential Bacillus subtilis DnaD and DnaB proteins have been implicated in the initiation of DNA replication. Recently, DNA remodeling activities associated with both proteins were discovered that could provide a link between global or local nucl... Read More about The Bacillus subtilis primosomal protein DnaD untwists supercoiled DNA.

A Porous Framework Polymer Based on a Zinc(II) 4,4‘-Bipyridine-2,6,2‘,6‘-tetracarboxylate:  Synthesis, Structure, and “Zeolite-Like” Behaviors (2006)
Journal Article
Lin, X., Blake, A. J., Wilson, C., Sun, X. Z., Champness, N. R., George, M. W., …Schröder, M. (2006). A Porous Framework Polymer Based on a Zinc(II) 4,4‘-Bipyridine-2,6,2‘,6‘-tetracarboxylate:  Synthesis, Structure, and “Zeolite-Like” Behaviors. Journal of the American Chemical Society, 128(33), 10745-10753. https://doi.org/10.1021/ja060946u

The robust metal-organic framework compound {[Zn2(L)] ·4H2O}∞ I has been synthesized by hydrothermal reaction of ZnCl2 and 4,4′-bipyridine-2,6, 2′,6′-tetracarboxylic acid (H4L). Compound I crystallizes in a chiral space group, P42212, with the chiral... Read More about A Porous Framework Polymer Based on a Zinc(II) 4,4‘-Bipyridine-2,6,2‘,6‘-tetracarboxylate:  Synthesis, Structure, and “Zeolite-Like” Behaviors.

Asymmetric reduction of ?, ?-unsaturated ketone to (R) allylic alcohol by Candida chilensis (2006)
Journal Article
Pollard, D. J., Telari, K., Lane, J., Humphrey, G., McWilliams, C., Nidositko, S., …Moore, J. (2006). Asymmetric reduction of α, β-unsaturated ketone to (R) allylic alcohol by Candida chilensis. Biotechnology and Bioengineering, 93(4), 674-686. https://doi.org/10.1002/bit.20751

A pilot scale whole cell process was developed for the enantioselective 1,2‐reduction of prochiral α,β‐unsaturated ketone to (R) allylic alcohol using Candida chilensis. Initial development showed high enantiomeric excess (EE > 95%) but low product y... Read More about Asymmetric reduction of ?, ?-unsaturated ketone to (R) allylic alcohol by Candida chilensis.

Helicase binding to DnaI exposes a cryptic DNA-binding site during helicase loading in Bacillus subtilis (2006)
Journal Article
Ioannou, C., Schaeffer, P. M., Dixon, N. E., & Soultanas, P. (2006). Helicase binding to DnaI exposes a cryptic DNA-binding site during helicase loading in Bacillus subtilis. Nucleic Acids Research, 34(18), https://doi.org/10.1093/nar/gkl690

The Bacillus subtilis DnaI, DnaB and DnaD proteins load the replicative ring helicase DnaC onto DNA during priming of DNA replication. Here we show that DnaI consists of a C-terminal domain (Cd) with ATPase and DNA-binding activities and an N-termina... Read More about Helicase binding to DnaI exposes a cryptic DNA-binding site during helicase loading in Bacillus subtilis.

The bacterial helicase-primase interaction: a common structural/functional module (2005)
Journal Article
Soultanas, P. (2005). The bacterial helicase-primase interaction: a common structural/functional module. Structure, 13(6), https://doi.org/10.1016/j.str.2005.04.006

The lack of a high-resolution structure for the bacterial helicase-primase complex and the fragmented structural information for the individual proteins have been hindering our detailed understanding of this crucial binary protein interaction. Two ne... Read More about The bacterial helicase-primase interaction: a common structural/functional module.

Discovery of antagonist peptides against bacterial helicase-primase interaction in B. stearothermophilus by reverse yeast three-hybrid (2005)
Journal Article
Gardiner, L., Coyle, B. J., Chan, W. C., & Soultanas, P. (2005). Discovery of antagonist peptides against bacterial helicase-primase interaction in B. stearothermophilus by reverse yeast three-hybrid. Cell Chemistry Biology, 12(5), 595-604. https://doi.org/10.1016/j.chembiol.2005.04.007

Developing small-molecule antagonists against protein-protein interactions will provide powerful tools for mechanistic/functional studies and the discovery of new antibacterials. We have developed a reverse yeast three-hybrid approach that allows hig... Read More about Discovery of antagonist peptides against bacterial helicase-primase interaction in B. stearothermophilus by reverse yeast three-hybrid.

Chiral polymerisation and the RNA world (2005)
Journal Article
Wattis, J. A., & Coveney, P. V. (2005). Chiral polymerisation and the RNA world. International Journal of Astrobiology, 4(1), https://doi.org/10.1017/S1473550405002454

The purpose of this paper is to review two mathematical models: one for the formation of homochiral polymers from an originally chirally symmetric system; and the other, to show how, in an RNA-world scenario, RNA can simultaneously act both as inf... Read More about Chiral polymerisation and the RNA world.

DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings (2004)
Journal Article
Thirlway, J., Turner, I. J., Gibson, C. T., Gardiner, L., Brady, K., Allen, S., …Soultanas, P. (2004). DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings. Nucleic Acids Research, 32(10),

Loading of the replicative ring helicase onto the origin of replication (oriC) is the final outcome of a well coordinated series of events that collectively constitute a primosomal cascade. Once the ring helicase is loaded, it recruits the primase an... Read More about DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings.

Floating s- and p-type Gaussian Orbitals (1975)
Journal Article
Brailsford, D. F., Hall, G. G., Hemming, N., & Martin, D. (1975). Floating s- and p-type Gaussian Orbitals. Chemical Physics Letters, 35(4),

The advantages of including a small number of p-type gaussian functions in a floating spherical gaussian orbital calculation are pointed out and illustrated by calculations on molecules which previously have proved to be troublesome. These include mo... Read More about Floating s- and p-type Gaussian Orbitals.

Approximate ab initio calculations and the method of molecular fragments (1975)
Conference Proceeding
Brailsford, D. F. (1975). Approximate ab initio calculations and the method of molecular fragments. In V. R. Saunders, & J. Brown (Eds.),

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set... Read More about Approximate ab initio calculations and the method of molecular fragments.

Fast assembly of fock matrices utilising symmetry properties of the basis set (1973)
Journal Article
Brailsford, D. F., & Hylton, J. (1973). Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18(4),

A method of assembling the elements of the Fock matrix is described which is a modification of that due to Dacre. Lists of symmetry equivalent one-electron integrals are used as pointers to abbreviate the process of collecting two-electron integrals... Read More about Fast assembly of fock matrices utilising symmetry properties of the basis set.

3-body energy terms in a quartet state of H3 (1971)
Journal Article
Brailsford, D. F., & Ford, B. (1971). 3-body energy terms in a quartet state of H3. Chemical Physics Letters, 12(1),

Calculations of the 3-body energy term in a quartet (4A2 ) state of H3 (equilateral triangle nuclear-configurations) show a minimum in the 3-body energy for a side length of about 1.3 bohrs.

Symmetry properties of one- and two- electron molecular integrals (1971)
Journal Article
Brailsford, D. F., & Hall, G. G. (1971). Symmetry properties of one- and two- electron molecular integrals. International Journal of Quantum Chemistry, V,

The maximum numbers of distinct one- and two-electron integrals that arise in calculating the electronic energy of a molecule are discussed. It is shown that these may be calculated easily using the character table of the symmetry group of the set of... Read More about Symmetry properties of one- and two- electron molecular integrals.

Electric field strengths and ion trajectories in sharp-edge field ionization sources (1970)
Journal Article
Brailsford, D. F. (1970). Electric field strengths and ion trajectories in sharp-edge field ionization sources. Journal of Physics D: Applied Physics, 3,

On the presumption that a sharp edge may be represented by a hyperbola, a conformal transformation method is used to derive electric field equations for a sharp edge suspended above a flat plate. A further transformation is then introduced to give el... Read More about Electric field strengths and ion trajectories in sharp-edge field ionization sources.

Calculated ionization potentials of the linear alkanes (1970)
Journal Article
Brailsford, D. F., & Ford, B. (1970). Calculated ionization potentials of the linear alkanes. Molecular Physics, 18(5),

The equivalent orbital (EO) method is investigated and used for predicting outer and inner ionization potentials of the linear alkanes. The calculated ionization potentials are in good agreement with those observed in photoelectron spectra provided t... Read More about Calculated ionization potentials of the linear alkanes.

Calculation of electric field strengths at a sharp edge (1968)
Journal Article
Brailsford, D. F., & Robertson, A. J. B. (1968). Calculation of electric field strengths at a sharp edge

Sharp edges were first used for field ionisation mass spectrometry by Beckey. Although Cross and Robertson found that etched metal foils were more effective than razor blades for field ionisation, blades are very convenient for determination of field... Read More about Calculation of electric field strengths at a sharp edge.

Structural optimization of molecular clusters with density functional theory combined with basin hopping
Journal Article
Do, H., & Besley, N. A. Structural optimization of molecular clusters with density functional theory combined with basin hopping. Journal of Chemical Physics, 137(13), Article 134106. https://doi.org/10.1063/1.4755994

Identifying the energy minima of molecular clusters is a challenging problem. Traditionally, search algorithms such as simulated annealing, genetic algorithms, or basin hopping are usually used in conjunction with empirical force fields. We have impl... Read More about Structural optimization of molecular clusters with density functional theory combined with basin hopping.

Measuring proton shift tensors with ultrafast MAS NMR
Journal Article
Miah, H. K., Bennett, D. A., Iuga, D., & Titman, J. J. Measuring proton shift tensors with ultrafast MAS NMR. Journal of Magnetic Resonance, 235, https://doi.org/10.1016/j.jmr.2013.07.005

A new proton anisotropic-isotropic shift correlation experiment is described which operates with ultrafast MAS, resulting in good resolution of isotropic proton shifts in the detection dimension. The new experiment makes use of a recoupling sequence... Read More about Measuring proton shift tensors with ultrafast MAS NMR.

A generic ?* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers
Journal Article
Staniforth, M., Daly, S., Reid, K. L., & Powis, I. A generic ?* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers. Journal of Chemical Physics, 139(6), Article 064304. https://doi.org/10.1063/1.4817324

We present new evidence for the existence of a near threshold ?* shape resonance as a common feature in the photoionization of each isomer of difluorobenzene. Experimentally this is revealed by significant changes in the anisotropy of the photoelectr... Read More about A generic ?* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers.