Computational and Analytical Sciences

TitleComputational and Analytical Sciences
TypeScience Department
InstituteRothamsted Research
HeadChris Rawlings
Executive AssistantSally Murdoch

Outputs

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The contribution of fiber components to water absorption of wheat grown in the UK

A - Papers appearing in refereed journals
Lovegrove, A., Wood, A., Hassall, K. L., Howes, L., Poole, M., Tosi, P. and Shewry, P. R. 2020. The contribution of fiber components to water absorption of wheat grown in the UK. Cereal chemistry. pp. 1-9.

Do modern types of wheat have lower quality for human health?

A - Papers appearing in refereed journals
Shewry, P. R., Hassall, K. L., Grausgruber, H., Andersson, A., Lampi, A-M., Piironen, V., Ward, J. L. and Lovegrove, A. 2020. Do modern types of wheat have lower quality for human health? Nutrition Bulletin.

The contribution of fibre components to water absorption of wheat grown in the UK

A - Papers appearing in refereed journals
Lovegrove, A., Wood, A. J., Hassall, K. L., Howes, L., Poole, M., Tosi, P. and Shewry, P. R. 2020. The contribution of fibre components to water absorption of wheat grown in the UK. Cereal chemistry.

Smart Armyworm Surveillance: Project Technical Report

D1 - Technical reports: non-confidential
Pearson, A. J., Bell, J. R., Subramanian, S. and Ouma, K. 2020. Smart Armyworm Surveillance: Project Technical Report. Harpenden Rothamsted Research. doi:10.23637/rothamsted.mx3c-6k94

Characterization of bird cherry-oat aphid (Rhopalosiphum padi L.) behaviour and aphid host preference in relation to partially resistant and susceptible wheat landraces

A - Papers appearing in refereed journals
Singh, B., Simon, A. L., Halsey, K., Kurup, S., Clark, S. J. and Aradottir, G. I. 2020. Characterization of bird cherry-oat aphid (Rhopalosiphum padi L.) behaviour and aphid host preference in relation to partially resistant and susceptible wheat landraces. Annals of Applied Biology - AAB.

Book review for Model-based Geostatistics in global public health

G - Articles in popular magazines and other technical publications
Hassall, K. L. 2020. Book review for Model-based Geostatistics in global public health. Biometrical Journal.

Low protein wheat for bread making

D1 - Technical reports: non-confidential
Shewry, P. R., Wood, A. J., Hassall, K. L., Pellny, T. K., Riche, A. B., Hussain, A., Hawkesford, M. J., Griffiths, S., Penson, S., Tucker, G. and Baker, C. 2020. Low protein wheat for bread making. Agriculture and Horticulture Development Board.

Genetic variation in wheat grain quality is associated with differences in the galactolipid content of flour and the gas bubble properties of dough liquor

A - Papers appearing in refereed journals
Min, B., Salt, L., Wilde, P., Kosik, O., Hassall, K. L., Przewieslik-Allen, A., Burridge, A. J., Poole, M., Snape, J., Wingen, L., Haslam, R. P., Griffiths, S. and Shewry, P. R. 2020. Genetic variation in wheat grain quality is associated with differences in the galactolipid content of flour and the gas bubble properties of dough liquor. Food Chemistry. 60, p. 100093.

Long-term agricultural research at Rothamsted

B - Book chapters etc edited externally
Macdonald, A. J., Poulton, P. R., Glendining, M. J. and Powlson, D. S. 2020. Long-term agricultural research at Rothamsted. in: Bhullar, G.S. and Riar, A. (ed.) Long-term Farming Systems Research - Ensuring Food Security in Changing Scenarios Academic Press Inc Elsevier Science. pp. 15-33

Overexpression of an endogenous type 2 diacylglycerol acyltransferase in the marine diatom Phaeodactylum tricornutum enhances lipid production and omega-3 long-chain polyunsaturated fatty acid content

A - Papers appearing in refereed journals
Haslam, R. P., Hamilton, M. L., Economou, C., Smith, Richard T., Hassall, K. L., Napier, J. A. and Sayanova, O. V. 2020. Overexpression of an endogenous type 2 diacylglycerol acyltransferase in the marine diatom Phaeodactylum tricornutum enhances lipid production and omega-3 long-chain polyunsaturated fatty acid content . Biotechnology for Biofuels. 13 (87).

Insect swarms can be bound together by repulsive forces

A - Papers appearing in refereed journals
Reynolds, A. M. 2020. Insect swarms can be bound together by repulsive forces. European Physical Journal E. 43, p. 39.

Transitions in wheat endosperm metabolism upon transcriptional induction of oil accumulation by oat endosperm WRINKLED1

A - Papers appearing in refereed journals
Grimberg, A., Wilkinson, M. D., Snell, P., De Vos, R. P., Gonzalez-Thuillier, I., Tawfike, A., Ward, J. L., Carlsson, A. S., Shewry, P. R. and Hofvander, P. 2020. Transitions in wheat endosperm metabolism upon transcriptional induction of oil accumulation by oat endosperm WRINKLED1 . BMC Plant Biology. 20, p. 235.

Elucidating three-way interactions between soil, pasture and animals that regulate nitrous oxide emissions from temperate grazing systems

A - Papers appearing in refereed journals
McAuliffe, G., Lopez, M., Blackwell, M. S. A., Castellano-Hinojosa, A., Darch, T., Evans, J., Horrocks, C. A., Le Cocq, K., Takahashi, T., Harris, P., Lee, M. R. F. and Cardenas, L. M. 2020. Elucidating three-way interactions between soil, pasture and animals that regulate nitrous oxide emissions from temperate grazing systems. Agriculture, Ecosystems & Environment. 300, p. 106978.

Wheat dwarfing influences selection of the rhizosphere microbiome

A - Papers appearing in refereed journals
Kavamura, V. N., Robinson, R. J., Hughes, D., Clark, I. M., Rossmann, M., De Melo, I.S., Hirsch, P. R., Mendes, R. and Mauchline, T. H. 2020. Wheat dwarfing influences selection of the rhizosphere microbiome. Scientific Reports. 10, p. 1452.

A comparison between water uptake and root length density in winter wheat: effects of root density and rhizosphere properties

A - Papers appearing in refereed journals
Whalley, W. R., Zhang, X., Whalley, P. A., Ashton, R. W., Evans, J., Hawkesford, M. J., Griffiths, G., Huang, Z. D., Zhou, H. and Mooney, S. J. 2020. A comparison between water uptake and root length density in winter wheat: effects of root density and rhizosphere properties . Plant and Soil.

Phylogeny and gene expression of the complete NITRATE TRANSPORTER 1/PEPTIDE TRANSPORTER FAMILY (NPF) in Triticum aestivum L.

A - Papers appearing in refereed journals
Wang, H., Wan, Y., Buchner, P. H., King, R., Ma, H. and Hawkesford, M. J. 2020. Phylogeny and gene expression of the complete NITRATE TRANSPORTER 1/PEPTIDE TRANSPORTER FAMILY (NPF) in Triticum aestivum L. Journal of Experimental Botany. p. eraa210.

Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity

A - Papers appearing in refereed journals
Ward, J. L., Moing, A., Allwood, J. W., Aharoni, A., Baker, J., Beale, M. H., Ben-Dor, S., Biais, B., Brigante, F., Burger, Y., Deborde, C., Erban, A., Faigenboim, A., Gur, A., Goodacre, R., Hansen, T. H., Jacob, D., Katzir, N., Kopka, J., Lewinsohn, E., Maucourt, M., Meir, S., Miller, S., Mumm, R., Oren, E., Paris, H. S., Rogachev, I., Rolin, D., Saar, U., Schjoerring, J. K., Tadmor, Y., Tzuri, G., Vos, R. C. D., Ward, J. L., Yeselson, E., Hall, R. D. and Schaffer, A. A. 2020. Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity. Metabolites. 10 (3), pp. 121-147.

Visiting dark sides of model simulation of carbon stocks in European temperate agricultural soils: allometric function and model initialization

A - Papers appearing in refereed journals
Taghizadeh-Toosi, A., Cong, W-F., Eriksen, J., Mayer, J., Olesen, J. E., Keel, S. G., Glendining, M. J., Katterer, T. and Christensen, B. T. 2020. Visiting dark sides of model simulation of carbon stocks in European temperate agricultural soils: allometric function and model initialization. Plant and Soil. 450, pp. 255-272.

Electrophysiologically and behaviourally active semiochemicals identified from bed bug refuge substrate

A - Papers appearing in refereed journals
Birkett, M. A., Weeks, E. N. I., Logan, J. G., Caulfield, J. C., Gazan, S. A., Welham, S. J., Brugman, V. A., Pickett, J. A. and Cameron, M. M. 2020. Electrophysiologically and behaviourally active semiochemicals identified from bed bug refuge substrate. Scientific Reports. (10), p. article 4590.

High level accumulation of EPA and DHA in field-grown transgenic Camelina – a multi-territory evaluation of TAG accumulation and heterogeneity

A - Papers appearing in refereed journals
Han, L., Usher, S. L., Sandgrind, S., Hassall, K. L., Sayanova, O. V., Michaelson, L. V., Haslam, R. P. and Napier, J. A. 2020. High level accumulation of EPA and DHA in field-grown transgenic Camelina – a multi-territory evaluation of TAG accumulation and heterogeneity . Plant Biotechnology Journal.

Miyabeacin: A new cyclodimer presents a potential role for willow in cancer therapy.

A - Papers appearing in refereed journals
Ward, J. L., Wu, Y., Harflett, C., Onafuye, H., Corol, D. I., Lomax, C., Macalpine, W. J., Cinatl, J., Wass, M. N., Michaelis, M. and Beale, M. H. 2020. Miyabeacin: A new cyclodimer presents a potential role for willow in cancer therapy. Scientific Reports. 10, p. 6477.

Phenology of the Diamondback Moth (Plutella xylostella) in the UK and Provision of Decision Support for Brassica Growers

A - Papers appearing in refereed journals
Wainwright, C. E., Jenkins, S., Wilson, D., Elliott, M., Jukes, A. and Collier, R. 2020. Phenology of the Diamondback Moth (Plutella xylostella) in the UK and Provision of Decision Support for Brassica Growers. Insects. 11 (2), p. 118.

Historical changes in the contents and compositions of fibre components and polar metabolites in white wheat flour

A - Papers appearing in refereed journals
Lovegrove, A., Pellny, T. K., Hassall, K. L., Plummer, A., Wood, A., Bellisai, A., Przewieslik-Allen, A., Burridge, A. J., Ward, J. L. and Shewry, P. R. 2020. Historical changes in the contents and compositions of fibre components and polar metabolites in white wheat flour. Scientific Reports. 10, p. 5920.

A roadmap for gene functional characterisation in crops with large genomes: Lessons from polyploid wheat

A - Papers appearing in refereed journals
Adamski, N. M., Borril, P., Brinton, J., Harrington​, S. A., Marchal, C., Bentley, A. R., Bovill, W. D., Cattivelli, L., Cockram, J., Contreras-Moreira, B., Ford, B., Ghosh, S., Harwood, W., Hassani-Pak, K., Hayta, S., Hickey, L. T., Kanyuka, K., King, J., Maccaferri, M., Naamati, G., Pozniak, C. J., Ramirez-Gonzalez, R. H., Sansaloni, C., Trevaskis, B., Wingen, L. U., Wulff, B. B. H. and Uauy​, C. 2020. A roadmap for gene functional characterisation in crops with large genomes: Lessons from polyploid wheat. eLife. 9, p. e55646.

Phosphorus leaching from riparian soils with differing management histories under three grass species

A - Papers appearing in refereed journals
Roberts, W. M., George, T. S., Stutter, M. I., Louro, A., Ali, M. and Haygarth, P. M. 2020. Phosphorus leaching from riparian soils with differing management histories under three grass species. Journal of Environmental Quality. 49 (1), pp. 74-84.

Environmental Perturbations Induce Correlations in Midge Swarms

A - Papers appearing in refereed journals
Van Der Vaart, K., Sinhuber, M., Reynolds, A. M. and Ouellette, N. T. 2020. Environmental Perturbations Induce Correlations in Midge Swarms. Journal of the Royal Society Interface. 17 (164), p. 20200018.

Functional QTL mapping and genomic prediction of canopy height in wheat measured using a robotic field phenotyping platform

A - Papers appearing in refereed journals
Lyra, D. H., Virlet, N., Sadeghi-Tehran, P., Hassall, K. L., Wingen, L. U., Orford, S., Griffiths, S., Hawkesford, M. J. and Slavov, G. 2020. Functional QTL mapping and genomic prediction of canopy height in wheat measured using a robotic field phenotyping platform . Journal of Experimental Botany. p. erz545.

The effects of cropping sequence, fertilization, and straw management on the yield stability of winter wheat (1986–2017) in the Broadbalk Wheat Experiment, Rothamsted, UK.

A - Papers appearing in refereed journals
Macholdt, J., Piepho, H-P., Honermeier, B., Perryman, S. A. M., Macdonald, A. J. and Poulton, P. R. 2020. The effects of cropping sequence, fertilization, and straw management on the yield stability of winter wheat (1986–2017) in the Broadbalk Wheat Experiment, Rothamsted, UK. The Journal of Agricultural Science. pp. 1-15.

Similarities between Insect Swarms and Isothermal Globular Clusters

A - Papers appearing in refereed journals
Gorbonos, D., Van der Vaart, K., Sinhuber, M., Puckett, J. G., Ouellette, N. T., Reynolds, A. M. and Gov, N. S. 2020. Similarities between Insect Swarms and Isothermal Globular Clusters. Physical Review Research.

Identification of a major QTL and associated molecular marker for high arabinoxylan fibre in white wheat flour

A - Papers appearing in refereed journals
Lovegrove, A., Wingen, L. U., Plummer, A., Wood, A., Passmore, D., Kosik, O., Freeman, J., Mitchell, R. A. C., Hassall, K. L., Ulker, M., Tremmel-Bede, K., Rakszegi, M., Bedo, Z., Perretant, M-R., Charmet, G., Pont, C., Salse, J., Leverington Waite, M., Orford, S., Burridge, A., Pellny, T. K., Shewry, P. R. and Griffiths, S. 2020. Identification of a major QTL and associated molecular marker for high arabinoxylan fibre in white wheat flour. PLOS ONE. 15 (2), p. e0227826.

Population genetic structure and predominance of cyclical parthenogenesis in the bird cherry–oat aphid Rhopalosiphum padi in England

A - Papers appearing in refereed journals
Morales-Hojas, R., Gonzalez-Uriarte, A., Alvira-Iraizoz, F., Jenkins, T., Alderson, L. J., Kruger, T., Hall, M. J., Greenslade, A. F. C., Shortall, C. R. and Bell, J. R. 2020. Population genetic structure and predominance of cyclical parthenogenesis in the bird cherry–oat aphid Rhopalosiphum padi in England. Evolutionary Applications.

Meta-analysis of global livestock urine-derived nitrous oxide emissions from agricultural soils.

A - Papers appearing in refereed journals
Lopez, M., Horrocks, C. A., Charteris, A., Marsden, K. A., Ciganda, V. S., Evans, J., Chadwick, D. R. and Cardenas, L. M. 2020. Meta-analysis of global livestock urine-derived nitrous oxide emissions from agricultural soils. Global Change Biology. 00, pp. 1-12.

Investigating the effects of inter-annual weather variation (1968-2016) on the functional response of cereal grain yield to applied nitrogen, using data from the Rothamsted Long-Term Experiments

A - Papers appearing in refereed journals
Addy, J., Ellis, R. H., Macdonald, A. J., Semenov, M. A. and Mead, A. 2020. Investigating the effects of inter-annual weather variation (1968-2016) on the functional response of cereal grain yield to applied nitrogen, using data from the Rothamsted Long-Term Experiments. Agricultural and Forest Meteorology. 284, p. 107898.

Linking small-scale flight manoeuvers and density profiles to the vertical movement of insects in the nocturnal stable boundary layer

A - Papers appearing in refereed journals
Wainwright, C. E., Reynolds, D. R. and Reynolds, A. M. 2020. Linking small-scale flight manoeuvers and density profiles to the vertical movement of insects in the nocturnal stable boundary layer. Scientific Reports. 10, p. 1019.

Loss of TaIRX9b gene function in wheat decreases chain length and amount of arabinoxylan in grain but increases cross-linking

A - Papers appearing in refereed journals
Pellny, T. K., Wood, A., Freeman, J., Halsey, K., Plummer, A., Kosik, O., Shewry, P. R., Lovegrove, A., Phillips, A. L. and Mitchell, R. A. C. 2020. Loss of TaIRX9b gene function in wheat decreases chain length and amount of arabinoxylan in grain but increases cross-linking. Plant Biotechnology Journal. pp. 1-12.

Soil organic carbon, extracellular polymeric substances (EPS), and soil structural stability as affected by previous and current land-use

A - Papers appearing in refereed journals
Redmile-Gordon, M. A., Watts, C. W., Gregory, A. S. and White, R. P. 2020. Soil organic carbon, extracellular polymeric substances (EPS), and soil structural stability as affected by previous and current land-use. Geoderma. 363 (1st April), p. 114143.

Epigenetic patterns within the haplotype phased fig (Ficus carica L.) genome

A - Papers appearing in refereed journals
Usai, G., Mascagni, F., Giordani, T., Vangelisti, A., Bose, E., Zuccolo, A., Ceccarelli, M., King, R., Hassani-Pak, K., Zambrano, L. S., Cavallini, A. and Natali, L. 2020. Epigenetic patterns within the haplotype phased fig (Ficus carica L.) genome. The Plant Journal.

Do bumblebees have signatures? Demonstrating the existence of a speed-curvature power law in Bombus terrestris locomotion patterns.

A - Papers appearing in refereed journals
James, L., Davies, T. G. E., Lim, K. S. and Reynolds, A. M. 2020. Do bumblebees have signatures? Demonstrating the existence of a speed-curvature power law in Bombus terrestris locomotion patterns. PLOS ONE. 15 (1), p. e0226393.

Sulfated flavanones and dihydroflavonols from willow

A - Papers appearing in refereed journals
Noleto-Dias, C., Harflett, C., Beale, M. H. and Ward, J. L. 2020. Sulfated flavanones and dihydroflavonols from willow. Phytochemistry Letters. 35 (February), pp. 88-93.

Changes of oxygen isotope values of soil P pools associated with changes in soil pH

A - Papers appearing in refereed journals
Pfahler, V., Macdonald, A. J., Mead, A., Smith, A. C., Tamburini, F., Blackwell, M. S. A. and Granger, S. J. 2020. Changes of oxygen isotope values of soil P pools associated with changes in soil pH. Scientific Reports. 10 (2065).