Skip to main content

Research Repository

Advanced Search

All Outputs (38329)

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.

Regulation of cel genes of C. cellulolyticum: identification of GlyR2, a transcriptional regulator regulating cel5D gene expression
Journal Article
Fendri, I., Abdou, L., Trotter, V., Dedieu, L., Maamar, H., Minton, N. P., & Tardif, C. Regulation of cel genes of C. cellulolyticum: identification of GlyR2, a transcriptional regulator regulating cel5D gene expression. PLoS ONE, 8(1), Article e44708. https://doi.org/10.1371/journal.pone.0044708

Transcription and expression regulation of some individual cel genes (cel5A, cel5I, cel5D and cel44O) of Clostridium cellulolyticum were investigated. Unlike the cip-cel operon, these genes are transcribed as monocistronic units of transcription, exc... Read More about Regulation of cel genes of C. cellulolyticum: identification of GlyR2, a transcriptional regulator regulating cel5D gene expression.

Two-component signal transduction system CBO0787/ CBO0786 represses transcription from botulinum neurotoxin promoters in Clostridium botulinum ATCC 3502
Journal Article
Zhang, Z., Korkeala, H., Dahlsten, E., Sahala, E., Heap, J. T., Minton, N. P., & Linström, M. Two-component signal transduction system CBO0787/ CBO0786 represses transcription from botulinum neurotoxin promoters in Clostridium botulinum ATCC 3502. PLoS Pathogens, 9(3), Article e1003252. https://doi.org/10.1371/journal.ppat.1003252

Blocking neurotransmission, botulinum neurotoxin is the most poisonous biological substance known to mankind. Despite its infamy as the scourge of the food industry, the neurotoxin is increasingly used as a pharmaceutical to treat an expanding range... Read More about Two-component signal transduction system CBO0787/ CBO0786 represses transcription from botulinum neurotoxin promoters in Clostridium botulinum ATCC 3502.

Exploring haemodynamics of haemodialysis using extrema points analysis model
Journal Article
Eldehni, M. T., Odudu, A., & McIntyre, C. W. Exploring haemodynamics of haemodialysis using extrema points analysis model. Theoretical Biology and Medical Modelling, 10, Article 33. https://doi.org/10.1186/1742-4682-10-33

Background: Haemodialysis is a form of renal replacement therapy used to treat
patients with end stage renal failure. It is becoming more appreciated that
haemodialysis patients exhibit higher rates of multiple end organ damage
compared to the gen... Read More about Exploring haemodynamics of haemodialysis using extrema points analysis model.

Delivery and use of individualised feedback in large class medical teaching
Journal Article
Burr, S. A., Brodier, E., & Wilkinson, S. Delivery and use of individualised feedback in large class medical teaching. BMC Medical Education, 13(May), Article 7. https://doi.org/10.1186/1472-6920-13-63

Background: Formative feedback that encourages self-directed learning in large class medical teaching is difficult
to deliver. This study describes a new method, blueprinted feedback, and explores learner’s responses to assess its
appropriate use w... Read More about Delivery and use of individualised feedback in large class medical teaching.

Time for curriculum reform: the case of mathematics
Journal Article
Noyes, A., Wake, G., & Drake, P. Time for curriculum reform: the case of mathematics. Curriculum Journal, 24(4), https://doi.org/10.1080/09585176.2013.812973

Mathematics education is rarely out of the policy spotlight in England. Over the last ten years, considerable attention has been given to improving 14-19 mathematics curriculum pathways. In this paper we consider some of the challenges of enacting cu... Read More about Time for curriculum reform: the case of mathematics.

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 π* 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 π* 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 π* 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 π* shape resonance observed in energy-dependent photoelectron angular distributions from two-colour, resonant multiphoton ionization of difluorobenzene isomers.

Global warming is dead, long live global heating?
Journal Article
Hulme, M., Nerlich, B., & Pearce, W. (2014). Global warming is dead, long live global heating?

We discuss how global heating is used in comparison to global warming, look at its semantic history and examine the communicative problems it may pose and the confusion it may lead to.

English: diverse but unified: putting texts at the heart of the discipline
Journal Article
Clark, B., Giovanelli, M., & Macrae, A. (in press). English: diverse but unified: putting texts at the heart of the discipline. Teaching English in the Two-Year College,

Billy Clark, Marcello Giovanelli and Andrea Macrae argue that ‘language and literature’ points the way towards a coherent vision of English, both at school and at university, as a unified but diverse subject encompassing literature, language, drama,... Read More about English: diverse but unified: putting texts at the heart of the discipline.

Modal analysis of a PMSG-based DC electrical power system in the more electric aircraft using eigenvalues sensitivity
Journal Article
Gao, F., Zheng, X., Bozhko, S., Hill, C. I., & Asher, G. (in press). Modal analysis of a PMSG-based DC electrical power system in the more electric aircraft using eigenvalues sensitivity. IEEE Transactions on Transportation Electrification, 1(1), https://doi.org/10.1109/TTE.2015.2427312

This paper deals with the modeling and small signal stability analysis of a DC-distribution electrical power system (EPS) sourced by a permanent magnet synchronous generator (PMSG). The topology employed here is one of the main candidates for future... Read More about Modal analysis of a PMSG-based DC electrical power system in the more electric aircraft using eigenvalues sensitivity.

"Stark, necessary and not permanent": huts in the work of Paul Celan and J.H. Prynne
Journal Article
Thomas, N. (in press). "Stark, necessary and not permanent": huts in the work of Paul Celan and J.H. Prynne. German Life and Letters, 69(3), https://doi.org/10.1111/glal.12124

This article examines the motif of the hut in the work of Paul Celan and J. H. Prynne, as a metaphor for poetry which also mediates the relationship between poetry, language and place. Both Prynne and Celan’s use of the hut motif intersects with the... Read More about "Stark, necessary and not permanent": huts in the work of Paul Celan and J.H. Prynne.

Validation of spatial microsimulation models: a proposal to adopt the Bland-Altman method
Journal Article
Timmins, K. A., & Edwards, K. L. (in press). Validation of spatial microsimulation models: a proposal to adopt the Bland-Altman method. International Journal of Microsimulation, 9(2),

Model validation is recognised as crucial to microsimulation modelling. However, modellers encounter difficulty in choosing the most meaningful methods to compare simulated and actual values. The aim of this paper is to introduce and demonstrate a me... Read More about Validation of spatial microsimulation models: a proposal to adopt the Bland-Altman method.

Psychological therapy for people with tinnitus: a scoping review of treatment components
Journal Article
Thompson, D. M., Hall, D. A., Walker, D., & Hoare, D. J. (in press). Psychological therapy for people with tinnitus: a scoping review of treatment components. Ear and Hearing,

Background: Tinnitus is associated with depression and anxiety disor- ders, severely and adversely affecting the quality of life and functional health status for some people. With the dearth of clinical psychologists embedded in audiology services an... Read More about Psychological therapy for people with tinnitus: a scoping review of treatment components.

A comparison of the economic value for enteric methane emissions with other biological traits associated with dairy cows
Journal Article
Bell, M. J., Pryce, J., & Wilson, P. (in press). A comparison of the economic value for enteric methane emissions with other biological traits associated with dairy cows. https://doi.org/10.21694/2379-1047.16002

This is the first study to derive the economic value of enteric methane produced by a ruminant animal. There is considerable interest globally in selecting for low methane-emitting ruminant livestock, as methane is a potent greenhouse gas. However, b... Read More about A comparison of the economic value for enteric methane emissions with other biological traits associated with dairy cows.

Laser ultrasound measurement of diaphragm thickness, Young’s modulus and Poisson’s ratio in a MEMS device
Journal Article
McKee, C., Culshaw, B., & Leach, R. K. (in press). Laser ultrasound measurement of diaphragm thickness, Young’s modulus and Poisson’s ratio in a MEMS device. IEEE Journal of Selected Topics in Quantum Electronics, https://doi.org/10.1109/JSTQE.2016.2635518

Laser-generated Lamb waves, coupled with a large bandwidth Michelson interferometer, have been demonstrated to accurately measure the thickness of a MEMS pressure sensor diaphragm in the [110] direction of a silicon wafer. Using the reassigned Gabor... Read More about Laser ultrasound measurement of diaphragm thickness, Young’s modulus and Poisson’s ratio in a MEMS device.