Computational and Analytical Sciences

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

Outputs

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Cytotoxic Activity and Metabolic Profiling of Fifteen Euphorbia Species

A - Papers appearing in refereed journals
El-Hawary, S. S., Mohammed, R., Tawfike, A. F., Lithy, N. M., AbouZid, S. F., Amin, M. N., Abdelmohsen, U. R. and Amin, E. 2021. Cytotoxic Activity and Metabolic Profiling of Fifteen Euphorbia Species. Metabolites. 11 (1), p. 15. https://doi.org/10.3390/metabo11010015

Application of a triple 15N tracing technique to elucidate N transformations in a UK grassland soil

A - Papers appearing in refereed journals
Loick, N., Dixon, E. R., Matthews, G. P., Muller, C., Ciganda, V. S., Lopez-Aizpun, M., Repullo, M. A. and Cardenas, L. M. 2021. Application of a triple 15N tracing technique to elucidate N transformations in a UK grassland soil. Geoderma. p. 114844. https://doi.org/10.1016/j.geoderma.2020.114844

The Wheat GENIE3 Network Provides Biologically-Relevant Information in Polyploid Wheat

A - Papers appearing in refereed journals
Harrington, S. A., Backhaus, A. E., Singh, A., Hassani-Pak, K. and Uauy, C. 2020. The Wheat GENIE3 Network Provides Biologically-Relevant Information in Polyploid Wheat. G3. 10 (10), pp. 3675-3686. https://doi.org/10.1534/g3.120.401436

Adaptive strategies of high-flying migratory hoverflies in response to wind currents.

A - Papers appearing in refereed journals
Gao, B., Wooton, K. R., Hawkes, W. L. S., Menz, M. H. M., Reynolds, D. R., Zhai, B-P. and Chapman, J. W. 2020. Adaptive strategies of high-flying migratory hoverflies in response to wind currents. Proceedings of the Royal Society B: Biological Sciences. 287, p. 20200406. https://doi.org/10.1098/rspb.2020.0406

Migratory take-off behaviour of the Mongolian grasshopper Oedaleus asiaticus

A - Papers appearing in refereed journals
Wang, Y-P., Tu, X-B., Lin, P-J., Li, S., Xu, C-M., Wang, X-Q., Reynolds, D. R., Chapman, J. W., Zhang, Z-H. and Hu, G. 2020. Migratory take-off behaviour of the Mongolian grasshopper Oedaleus asiaticus. Insects. 11 (7), p. 46. https://doi.org/10.3390/insects11070416

Diversity, dynamics, direction, and magnitude of high-altitude migrating insects in the Sahel

A - Papers appearing in refereed journals
Reynolds, D. R. 2020. Diversity, dynamics, direction, and magnitude of high-altitude migrating insects in the Sahel. Scientific Reports. 10, p. 20523. https://doi.org/10.1038/s41598-020-77196-7

The ‘migratory connectivity’ concept, and its applicability to insect migrants

A - Papers appearing in refereed journals
Gao, B., Hedlund, J., Reynolds, D. R., Zhai, B., Hu, G. and Chapman, J. W. 2020. The ‘migratory connectivity’ concept, and its applicability to insect migrants. Movement Ecology. 8, p. 48. https://doi.org/10.1186/s40462-020-00235-5

Inhibitors of α-Synuclein Fibrillation and Oligomer Toxicity in Rosa damascena: The All-Pervading Powers of Flavonoids and Phenolic Glycosides

A - Papers appearing in refereed journals
Eskandari, H., Ghanadian, M., Noleto-Dias, C., Lomax, C., Tawfike, A., Christiansen, G., Sutherland, D. S., Ward, J. L., Mohammad-Beigi, H. and Otzen, D. E. 2020. Inhibitors of α-Synuclein Fibrillation and Oligomer Toxicity in Rosa damascena: The All-Pervading Powers of Flavonoids and Phenolic Glycosides. ACS Chemical Neuroscience. 11 (19), pp. 3161-3173. https://doi.org/10.1021/acschemneuro.0c00528

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

Field Validation of Senesced Banana Leaf Extracts for Trapping Banana Weevils on Smallholder Banana/Plantain Farms

A - Papers appearing in refereed journals
Birkett, M. A., Osafo-Acquaah, S., Powers, S. J. and Pickett, J. A. 2020. Field Validation of Senesced Banana Leaf Extracts for Trapping Banana Weevils on Smallholder Banana/Plantain Farms. Journal of Applied Entomology. https://doi.org/10.1111/jen.12838

Mapping sites of gibberellin biosynthesis in the Arabidopsis root tip

A - Papers appearing in refereed journals
Barker, R., Garcia, M. N. F., Powers, S. J., Vaughan, S., Bennett, M. J., Phillips, A. L., Thomas, S. G. and Hedden, P. 2020. Mapping sites of gibberellin biosynthesis in the Arabidopsis root tip. New Phytologist. https://doi.org/10.1111/NPH.16967

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

Review: Allelochemicals as multi-kingdom plant defence compounds: Towards an integrated approach

A - Papers appearing in refereed journals
Hickman, D. T., Rasmussen, A., Ritz, K., Birkett, M. A. and Neve, P. 2020. Review: Allelochemicals as multi-kingdom plant defence compounds: Towards an integrated approach. Pest Management Science. https://doi.org/10.1002/ps.6076

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

Odorant binding proteins promote flight activity in the migratory insect, Helicoverpa armigera

A - Papers appearing in refereed journals
Wang, S., Minter, M., Homem, R. A., Michaelson, L. V., Venthur, H., Lim, K.S., Withers, A., Xi, J., Jones, C. M. and Zhou, J-J. 2020. Odorant binding proteins promote flight activity in the migratory insect, Helicoverpa armigera. Molecular Ecology. https://doi.org/10.1111/mec.15556

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

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

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

A willow UDP-glycosyltransferase involved in salicinoid biosynthesis

A - Papers appearing in refereed journals
Kulasekaran, S., Cerezo-Medina, S., Harflett, C., Lomax, C., DeJong, F., Rendour, A., Ruvo, G., Hanley, S. J., Beale, M. H. and Ward, J. L. 2020. A willow UDP-glycosyltransferase involved in salicinoid biosynthesis. Journal of Experimental Botany. https://doi.org/10.1093/jxb/eraa562

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. 451, pp. 345-356. 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. 71 (15), pp. 4531-4546. 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

Covid-19: dogma over potential for prolonged droplet dispersal in air

A - Papers appearing in refereed journals
West, J. S. and Perryman, S. A. M. 2020. Covid-19: dogma over potential for prolonged droplet dispersal in air. Frontiers in public health. 8, p. 551836. https://doi.org/10.3389/fpubh.2020.551836