Computational and Analytical Sciences

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

Outputs

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Comparing Extraction Methods for Biomarker Steroid Characterisation from Soil and Slurry

A - Papers appearing in refereed journals
Manley, A., Collins, A. L., Joynes, A., Mellander, P. E. and Jordan, P. 2020. Comparing Extraction Methods for Biomarker Steroid Characterisation from Soil and Slurry. Water Air And Soil Pollution. 231 (10), pp. 1-15. https://doi.org/10.1007/s11270-020-04871-w

The contribution of fibre 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, Tosie, P. and Shewry, P. R. 2020. The contribution of fibre components to water absorption of wheat grown in the UK. Cereal chemistry. 97 (5), pp. 940-948. https://doi.org/10.1002/cche.10316

A carbohydrate-binding protein, B-GRANULE CONTENT 1, influences starch granule size distribution in a dose-dependent manner in polyploid wheat

A - Papers appearing in refereed journals
Chia, T., Chirico, M., King, R., Ramirez-Gonzalez, R., Saccomanno, B., Seung, D., Simmonds, J., Trick, M., Uauy, C., Verhoeven, T. and Trafford, K. 2020. A carbohydrate-binding protein, B-GRANULE CONTENT 1, influences starch granule size distribution in a dose-dependent manner in polyploid wheat. Journal of Experimental Botany. 71 (1), pp. 105-115. https://doi.org/10.1093/jxb/erz405

Edaphic factors and plants influence denitrification in soils from a long-term arable experiment

A - Papers appearing in refereed journals
Clark, I. M., Fu, Q., Abadie, M., Dixon, E. R., Blaud, A. and Hirsch, P. R. 2020. Edaphic factors and plants influence denitrification in soils from a long-term arable experiment. Scientific Reports. 10 (Article), p. 16053. https://doi.org/10.1038/s41598-020-72679-z

A strategy for modelling heavy-tailed greenhouse gases (GHG) data using the generalised extreme value distribution: Are we overestimating GHG flux using the sample mean?

A - Papers appearing in refereed journals
Dhanoa, D., Louro-Lopez, A., Cardenas, L. M., Shepherd, A., Sanderson, R. and Lopez, S. 2020. A strategy for modelling heavy-tailed greenhouse gases (GHG) data using the generalised extreme value distribution: Are we overestimating GHG flux using the sample mean? Atmospheric Environment. 237, p. 117500. https://doi.org/10.1016/j.atmosenv.2020.117500

The Mineral Composition of Wild Type and Cultivated Varieties of Pasture Species

A - Papers appearing in refereed journals
Darch, T., McGrath, S. P., Lee, M. R. F., Beaumont, D. A., Blackwell, M. S. A., Horrocks, C. A., Evans, J. and Storkey, J. 2020. The Mineral Composition of Wild Type and Cultivated Varieties of Pasture Species. Agronomy. 10 (10), p. 1463. https://doi.org/10.3390/agronomy10101463

Extracted features from opto-acoustic audio recordings of aphids and beetles

N - Datasets
Hassall, K. L., Dye, A. and Bell, J. R. 2020. Extracted features from opto-acoustic audio recordings of aphids and beetles. Rothamsted Research. https://doi.org/10.23637/rothamsted.981w8

Opto-acoustic audio recordings of aphids and beetles

N - Datasets
Hassall, K. L., Dye, A. and Bell, J. R. 2020. Opto-acoustic audio recordings of aphids and beetles. Rothamsted Research. https://doi.org/10.23637/rothamsted.981w7

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. https://doi.org/10.1002/cche.10316

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. https://doi.org/10.1111/nbu.12461

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. https://doi.org/10.1002/cche.10316

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. https://doi.org/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. https://doi.org/10.1111/aab.12616

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. https://doi.org/10.1002/bimj.202000175

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. https://doi.org/10.1016/j.fochx.2020.100093

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). https://doi.org/https://doi.org/10.1186/s13068-020-01726-8

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. https://doi.org/10.1140/epje/i2020-11963-x

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. https://doi.org/10.1186/s12870-020-02438-9

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. https://doi.org/10.1016/j.agee.2020.106978

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. https://doi.org/10.1038/s41598-020-58402-y

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. https://doi.org/10.1007/s11104-020-04530-3

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. https://doi.org/10.1093/jxb/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. https://doi.org/10.3390/metabo10030121

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. https://doi.org/10.1007/s11104-020-04500-9

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. https://doi.org/10.1038/s41598-020-61368-6

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. https://doi.org/10.1111/pbi.13385

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. https://doi.org/10.1038/s41598-020-63349-1

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. https://doi.org/10.3390/insects11020118

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. https://doi.org/10.1038/s41598-020-62777-3

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. https://doi.org/10.7554/eLife.55646

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. https://doi.org/10.1002/jeq2.20037

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. https://doi.org/10.1098/rsif.2020.0018

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. https://doi.org/10.1093/jxb/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. 158 (1-2), pp. 65-79. https://doi.org/10.1017/S0021859620000301

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. https://doi.org/10.1371/journal.pone.0227826

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. https://doi.org/10.1111/eva.12917

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. https://doi.org/10.1111/gcb.15012