Computational and Analytical Sciences

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

Outputs

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Agricultural intensification and climate change have increased the threat from weeds

A - Papers appearing in refereed journals
Storkey, J., Mead, A., Addy, J. and Macdonald, A. J. 2021. Agricultural intensification and climate change have increased the threat from weeds. Global Change Biology. pp. 1-10. https://doi.org/10.1111/gcb.15585

Plant Available Zinc Is Influenced by Landscape Position in the Amhara Region, Ethiopia

A - Papers appearing in refereed journals
Desta, M. K., Broadley, M. R., McGrath, S. P., Hernandez-Allica, J., Hassall, K. L., Gameda. S., Amede. T. and Haefele, S. M. 2021. Plant Available Zinc Is Influenced by Landscape Position in the Amhara Region, Ethiopia. Plants. 10 (2), p. 254. https://doi.org/10.3390/plants10020254

The metabolomic analysis of five Mentha species: cytotoxicity, anti-Helicobacter assessment, and the development of polymeric micelles for enhancing the anti-Helicobacter activity

A - Papers appearing in refereed journals
Bakr, R. O., Tawfike, A. F., El-Gizawy, H. A., Tawfik, N., Abdelmohsen, U. R., Abdelwahab, M. F., Alshareef, W. A., Fayez, S. M., El-Mancy, S. M. S., El-Fishawy, A. M., Abdelkawy, M. A. and Fayed, M. A. A. 2021. The metabolomic analysis of five Mentha species: cytotoxicity, anti-Helicobacter assessment, and the development of polymeric micelles for enhancing the anti-Helicobacter activity. RSC Advances. 11 (13), pp. 7318-7330. https://doi.org/10.1039/D0RA09334C

Exploring the Chemical Space of Macro- and Micro-Algae Using Comparative Metabolomics

A - Papers appearing in refereed journals
Jughes, A. H., Magot, F., Tawfike, A., Rad-Menendez, C., Thomas, N., Young, L. C., Stucchi, L., Carettoni, D., Stanley, M. S., Edrada-Ebel, R. and Duncan, K. R. 2021. Exploring the Chemical Space of Macro- and Micro-Algae Using Comparative Metabolomics. Microorganisms. 9 (2), p. 311. https://doi.org/10.3390/microorganisms9020311

Reproducing analysis of Sirius model simulations of wheat yields, 1892-2016

J - Computer programs
Addy, J., Semenov, M. A. and Mead, A. 2021. Reproducing analysis of Sirius model simulations of wheat yields, 1892-2016.

Simulated wheat yields from Sirius, 1892-2016

N - Datasets
Addy, J., Semenov, M. A. and Mead, A. 2021. Simulated wheat yields from Sirius, 1892-2016.

An equation of state for insect swarms

A - Papers appearing in refereed journals
Sinhuber, M., Van der Vaart, K., Yenchia, F., Reynolds, A. M. and Ouellette, N.T. 2021. An equation of state for insect swarms. Scientific Reports. 11 (3773). https://doi.org/10.1038/s41598-021-83303-z

The potential for soybean to diversify the production of plant-based protein in the UK

A - Papers appearing in refereed journals
Coleman, K., Whitmore, A. P., Hassall, K. L., Shield, I. F., Semenov, M. A., Dobermann, A., Bourhis, Y., Eskandary, A. and Milne, A. E. 2021. The potential for soybean to diversify the production of plant-based protein in the UK. Science of the Total Environment. 767, p. 144903. https://doi.org/10.1016/j.scitotenv.2020.144903

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

The Outstanding Scientist, R.A. Fisher: His Views on Eugenics and Race

A - Papers appearing in refereed journals
Bodmer, W., Bailey, R. A., Charlesworth, B., Eyre-Walker, A., Farewell, V., Mead, A. and Senn, S. 2021. The Outstanding Scientist, R.A. Fisher: His Views on Eugenics and Race. Heredity. https://doi.org/10.1038/s41437-020-00394-6

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. 385, p. 114844. https://doi.org/10.1016/j.geoderma.2020.114844

Wheat with greatly reduced accumulation of free asparagine in the grain, produced by CRISPR/Cas9 editing of asparagine synthetase gene TaASN2

A - Papers appearing in refereed journals
Raffan, S., Sparks, C. A., Huttly, A. K., Hyde, L., Martignago, D., Mead, A., Hanley, S. J., Wilkinson, P., Barker, G., Edwards, K. J., Curtis, T. Y., Usher, S. L., Kosik, O. and Halford, N. G. 2021. Wheat with greatly reduced accumulation of free asparagine in the grain, produced by CRISPR/Cas9 editing of asparagine synthetase gene TaASN2 . Plant Biotechnology Journal. https://doi.org/10.1111/pbi.13573

Acrylamide Levels in Potato Crisps in Europe from 2002 to 2019

A - Papers appearing in refereed journals
Powers, S. J., Mottram, D. S., Curtis, A. and Halford, N. G. 2021. Acrylamide Levels in Potato Crisps in Europe from 2002 to 2019. Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment. https://doi.org/10.1080/19440049.2020.1871083

Wheat amino acid transporters highly expressed in grain cells regulate amino acid accumulation in grain

A - Papers appearing in refereed journals
Wan, Y., Wang, Y., Shi, Z., Rentsch, D., Ward, J. L., Hassall, K. L., Sparks, C. A., Huttly, A. K., Buchner, P. H., Powers, S. J., Shewry, P. R. and Hawkesford, M. J. 2021. Wheat amino acid transporters highly expressed in grain cells regulate amino acid accumulation in grain. PLOS ONE. 16 (2), p. e0246763. https://doi.org/10.1371/journal.pone.0246763

Intrinsic stochasticity and the emergence of collective behaviours in insect swarms

A - Papers appearing in refereed journals
Reynolds, A. M. 2020. Intrinsic stochasticity and the emergence of collective behaviours in insect swarms. European Physical Journal E. 43 (39). https://doi.org/10.1140/epje/i2020-11963-x

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

Adjusting for conditional bias in process model simulations of hydrological extremes: an experiment using the North Wyke Farm Platform

A - Papers appearing in refereed journals
Curceac, S., Atkinson, P. M., Milne, A. E., Wu, L. and Harris, P. 2020. Adjusting for conditional bias in process model simulations of hydrological extremes: an experiment using the North Wyke Farm Platform. Frontiers in Artificial Intelligence. 3 (82). https://doi.org/10.3389/frai.2020.565859

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.