Computational and Analytical Sciences

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

Outputs

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High-yielding forage grass cultivars increase root biomass and soil organic carbon stocks compared with mixed-species permanent pasture in temperate soil

A - Papers appearing in refereed journals
Gregory, A. S., Joynes, A., Dixon, E. R., Beaumont, D. A., Murray, P. J., Humphreys, M. W., Richter, G. M. and Dungait, J. A. J. 2021. High-yielding forage grass cultivars increase root biomass and soil organic carbon stocks compared with mixed-species permanent pasture in temperate soil. European Journal of Soil Science. https://doi.org/10.1111/ejss.13160

RNAi suppression of xylan synthase genes in wheat starchy endosperm

A - Papers appearing in refereed journals
Wilkinson, M. D., Kosik, O., Halsey, K., Walpole, H., Evans, J., Wood, A. J., Ward, J. L., Mitchell, R. A. C., Lovegrove, A. and Shewry, P. R. 2021. RNAi suppression of xylan synthase genes in wheat starchy endosperm. PLOS ONE. 16 (8), p. e0256350. https://doi.org/10.1371/journal.pone.0256350

Allele Mining in Diverse Accessions of Urochloa and Megathyrsus spp. Tropical Grasses to Improve Forage Quality and Reduce Environmental Impact

A - Papers appearing in refereed journals
Hanley, S. J., Pellny, T. K., De Vega, J. J., Castiblanco, V., Arango, J., Eastmond, P. J., Heslop-Harrison, J. S. and Mitchell, R. A. C. 2021. Allele Mining in Diverse Accessions of Urochloa and Megathyrsus spp. Tropical Grasses to Improve Forage Quality and Reduce Environmental Impact. Annals of Botany. https://doi.org/10.1093/aob/mcab101

Elucidating the performance of hybrid models for predicting extreme water flow events through variography and wavelet analyses

A - Papers appearing in refereed journals
Curceac, S., Milne, A. E., Atkinson, P. M., Wu, L. and Harris, P. 2021. Elucidating the performance of hybrid models for predicting extreme water flow events through variography and wavelet analyses. Journal of Hydrology. 598 (126442). https://doi.org/10.1016/j.jhydrol.2021.126442

Changes in agricultural climate in South-Eastern England from 1892 to 2016 and differences in cereal and permanent grassland yield

A - Papers appearing in refereed journals
Addy, J., Ellis, R. H., Macdonald, A. J., Semenov, M. A. and Mead, A. 2021. Changes in agricultural climate in South-Eastern England from 1892 to 2016 and differences in cereal and permanent grassland yield. Agricultural and Forest Meteorology. 308-309, p. 108560. https://doi.org/10.1016/j.agrformet.2021.108560

Metagenomic approaches reveal differences in genetic diversity and relative abundance of nitrifying bacteria and archaea in contrasting soils

A - Papers appearing in refereed journals
Clark, I. M., Hughes, D. J., Fu, Q., Abadie, M. and Hirsch, P. R. 2021. Metagenomic approaches reveal differences in genetic diversity and relative abundance of nitrifying bacteria and archaea in contrasting soils . Scientific Reports. 11, p. 15905. https://doi.org/10.1038/s41598-021-95100-9

Exploring the diversity of promoter and 5’UTR sequences in ancestral, historic and modern wheat

A - Papers appearing in refereed journals
Hammond-Kosack, M., King, R., Kanyuka, K. and Hammond-Kosack, K. E. 2021. Exploring the diversity of promoter and 5’UTR sequences in ancestral, historic and modern wheat . Plant Biotechnology Journal. https://doi.org/10.1111/pbi.13672

Environmental drivers of annual population fluctuations in a trans-Saharan insect migrant

A - Papers appearing in refereed journals
Hu, G., Stefanescu, C., Oliver, T., Roy, D. B., Brereton, T., Van Swaay, C., Reynolds, D. R. and Chapman, J. W. 2021. Environmental drivers of annual population fluctuations in a trans-Saharan insect migrant. Proceedings of the National Academy of Sciences of the United States of America - PNAS. 118 (26), p. e2102762118. https://doi.org/10.1073/pnas.2102762118

Understanding the thermodynamic properties of insect swarms

A - Papers appearing in refereed journals
Reynolds, A. M. 2021. Understanding the thermodynamic properties of insect swarms. Scientific Reports. 11, p. 14979. https://doi.org/10.1038/s41598-021-94582-x

Weierstrassian Levy walks are a by-product of crawling

A - Papers appearing in refereed journals
Reynolds, A. M. 2021. Weierstrassian Levy walks are a by-product of crawling. European Physical Journal E. 44, p. 96. https://doi.org/10.1140/epje/s10189-021-00100-2

A case study on the effects of data temporal resolution on the simulation of water flux extremes using a process-based model at the grassland field scale

A - Papers appearing in refereed journals
Wu, L., Curceac, S., Atkinson, Peter, Milne, A. E. and Harris, P. 2021. A case study on the effects of data temporal resolution on the simulation of water flux extremes using a process-based model at the grassland field scale. Agricultural Water Management. 255, p. 107049. https://doi.org/10.1016/j.agwat.2021.107049

Loss of mechanical stiffness and the emergence of Lévy walks in active T cells

A - Papers appearing in refereed journals
Reynolds, A. M. 2021. Loss of mechanical stiffness and the emergence of Lévy walks in active T cells. Physics Letters A. 408 (27 Aug), p. 127507. https://doi.org/10.1016/j.physleta.2021.127507

Metabolic fluxes for nutritional flexibility of Mycobacterium tuberculosis

A - Papers appearing in refereed journals
Borah, K., Mendum, T. A., Hawkins, N. D., Ward, J. L., Beale, M. H., Larrouy-Maumus, G., Bhatt, A., Moulin, M., Haertlein, M., Strohmeier, G., Pichler, H., Forsyth, V. T., Noack, S., Goulding, C. V., McFadden, J. and Beste, D. J. V. 2021. Metabolic fluxes for nutritional flexibility of Mycobacterium tuberculosis. Molecular systems biology. 17 (5), p. e10280. https://doi.org/10.15252/msb.202110280

Cytotoxic activity of actinomycetes Nocardia sp. and Nocardiopsis sp. associated with marine sponge Amphimedon sp.

A - Papers appearing in refereed journals
Shady, N. H., Tawfike, A., Yahia, R., Fouad, M. A., Brachmann, A. O. and Piel, J. 2021. Cytotoxic activity of actinomycetes Nocardia sp. and Nocardiopsis sp. associated with marine sponge Amphimedon sp. Natural Product Research. https://doi.org/10.1080/14786419.2021.1931865

Subcellular dynamics studies of iron reveal how tissue-specific distribution patterns are established in developing wheat grains

A - Papers appearing in refereed journals
Sheraz, S., Wan, Y., Venter, E., Verma, S. K., Xiong, Q., Waites, J., Connorton, J. M, Shewry, P. R., Moore, K. L., and Balk, J 2021. Subcellular dynamics studies of iron reveal how tissue-specific distribution patterns are established in developing wheat grains. New Phytologist. 231 (4), pp. 1644-1657. https://doi.org/10.1111/nph.17440

Metabolic profling of cytotoxic metabolites from five Tabebuia species supported by molecular correlation analysis

A - Papers appearing in refereed journals
El-Hawary, S. S., Mohammed, R., Tawfike, A., AbouZid, S. F., Taher, M. A., Abdelmohsen, U. R. and Amin, E. 2021. Metabolic profling of cytotoxic metabolites from five Tabebuia species supported by molecular correlation analysis. Scientific Reports. 11, p. 8405. https://doi.org/10.1038/s41598-021-87695-w

The grain mineral composition of barley, oat and wheat on soils with pH and soil phosphorus gradients

A - Papers appearing in refereed journals
Jordan-Meille, L., Holland, J. E., McGrath, S. P., Glendining, M. J., Thomas, C. L. and Haefele, S. M. 2021. The grain mineral composition of barley, oat and wheat on soils with pH and soil phosphorus gradients. European Journal of Agronomy. 126, p. 126281. https://doi.org/10.1016/j.eja.2021.126281

Corrigendum to “Using a meta-analysis approach to understand complexity in soil biodiversity and phosphorus acquisition in plants” [Soil Biol. Biochem. 142 (2020) 107695]

A - Papers appearing in refereed journals
Mezeli, M. M., Page, S., George, T. S., Neilson, R., Mead, A., Blackwell, M. S. A. and Haygarth, P. M. 2021. Corrigendum to “Using a meta-analysis approach to understand complexity in soil biodiversity and phosphorus acquisition in plants” [Soil Biol. Biochem. 142 (2020) 107695]. Soil Biology and Biochemistry. 157, p. 108145. https://doi.org/10.1016/j.soilbio.2021.108145

Harmonic radar tracking reveals that honeybee drones navigate between multiple aerial leks

A - Papers appearing in refereed journals
Woodgate, J. L., Makinson, J. C., Rossi, N., Reynolds, A. M., Rawlings, C. J. and Chittka, L. 2021. Harmonic radar tracking reveals that honeybee drones navigate between multiple aerial leks. iScience. 24 (6), p. 102499. https://doi.org/10.1016/j.isci.2021.102499

Identification and Expression of Secreted In Xylem Pathogenicity Genes in Fusarium oxysporum f. sp. pisi

A - Papers appearing in refereed journals
Jenkins, S., Taylor, A., Jackson, A. C., Armitage, A. D., Bates, H. J., Mead, A., Harrison, R. J. and Clarkson, J. P. 2021. Identification and Expression of Secreted In Xylem Pathogenicity Genes in Fusarium oxysporum f. sp. pisi. Frontiers in Microbiology. 12, p. 593140. https://doi.org/10.3389/fmicb.2021.593140

Cerebrospinal fluid proteome shows disrupted neuronal development in multiple sclerosis

A - Papers appearing in refereed journals
Mosleth, E. F., Vedeler, C. A., Liland, K. H., Mcleod, A., Bringeland, G. H., Kroondijk, L., Berven, F. S., Lysenko, A., Rawlings, C. J., Eid, K. E-H., Opsahl, J. A., Gjertsen, B. T., Myhr, K-M. and Gavasso, S. 2021. Cerebrospinal fluid proteome shows disrupted neuronal development in multiple sclerosis. Scientific Reports. 11, p. 4087. https://doi.org/10.1038/s41598-021-82388-w

Optimising storage conditions and processing of sheep urine prior to subsequent nitrogen-cycle and gaseous emission measurements from urine patches

A - Papers appearing in refereed journals
Charteris, A., Marsden, K. A., Evans, J., Barrat, H., Loick, N., Jones, D. L., Chadwick, D. R. and Cardenas, L. M. 2021. Optimising storage conditions and processing of sheep urine prior to subsequent nitrogen-cycle and gaseous emission measurements from urine patches. Scientific Reports. 11, p. 12116. https://doi.org/10.1038/s41598-021-91498-4

Contrasting Responses of Rhizosphere Bacterial, Fungal, Protist and Nematode Communities to Nitrogen Fertilisation and Crop Genotype in Field Grown Oilseed Rape (Brassica napus)

A - Papers appearing in refereed journals
Picot, E., Hale, C. C., Hilton, S., Teakle, G. R., Schafer, H., Huang, Y-J., Perryman, S. A. M., West, J. S. and Bending, G. D. 2021. Contrasting Responses of Rhizosphere Bacterial, Fungal, Protist and Nematode Communities to Nitrogen Fertilisation and Crop Genotype in Field Grown Oilseed Rape (Brassica napus). Frontiers in Sustainable Food Systems. 5 (article), p. 613269. https://doi.org/10.3389/fsufs.2021.613269

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. 118 (2), p. e2002548117. 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 - Basel. 10 (2), p. 254. https://doi.org/10.3390/plants10020254

Scale-free movement patterns in termites emerge from social interactions and preferential attachments

A - Papers appearing in refereed journals
Paiva, L. R., Marins, A., Cristaldo, P. F., Ribeiro, D., Alves, S. G., Reynolds, A. M., DeSouza, O. and Miramontes, O. 2021. Scale-free movement patterns in termites emerge from social interactions and preferential attachments. Proceedings of the National Academy of Sciences of the United States of America - PNAS. 118 (20), p. e2004369118. https://doi.org/10.1073/pnas.2004369118

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

Microbiome Aggregated Traits and Assembly are More Sensitive to Soil Management than Diversity

A - Papers appearing in refereed journals
Neal, A. L., Hughes, D. J., Clark, I. M., Jansson, J. K. and Hirsch, P. R. 2021. Microbiome Aggregated Traits and Assembly are More Sensitive to Soil Management than Diversity. mSystems. 6 (3), pp. e01056-20. https://doi.org/10.1128/mSystems.01056-20

Reduced free asparagine in wheat grain resulting from a natural deletion of TaASNB2: investigating and exploiting diversity in the asparagine synthetase gene family to improve wheat quality

A - Papers appearing in refereed journals
Oddy, J., Alarcon-Reverte, R., Wilkinson, M. D., Ravet, K., Raffan, S., Minter, A., Mead, A., Elmore, J. S., Moreira de Almeida, I., Cryer, N., Halford, N. G. and Pearce, S. 2021. Reduced free asparagine in wheat grain resulting from a natural deletion of TaASNB2: investigating and exploiting diversity in the asparagine synthetase gene family to improve wheat quality. BMC Plant Biology. 21 (1), p. 302. https://doi.org/10.1186/s12870-021-03058-7

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. 19 (8), pp. 1602-1613. https://doi.org/10.1111/pbi.13573

The impact of weather and increased atmospheric CO2 from 1892 to 2016 on simulated yields of UK wheat

A - Papers appearing in refereed journals
Addy, J. W. G., Ellis, R.H., Macdonald, A. J., Semenov, M. A. and Mead, A. 2021. The impact of weather and increased atmospheric CO2 from 1892 to 2016 on simulated yields of UK wheat. Journal of the Royal Society Interface. 18 (179), p. 20210250. https://doi.org/10.1098/rsif.2021.0250

KnetMiner: a comprehensive approach for supporting evidence-based gene discovery and complex trait analysis across species

A - Papers appearing in refereed journals
Hassani-Pak, K., Singh, A., Brandizi, M., Hearnshaw, J., Parsons, J. D., Amberkar, S., Phillips, A. L., Doonan, J. H. and Rawlings, C. J. 2021. KnetMiner: a comprehensive approach for supporting evidence-based gene discovery and complex trait analysis across species. Plant Biotechnology Journal. https://doi.org/10.1111/pbi.13583