Computational and Analytical Sciences

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

Outputs

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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

Metabolic profling of cytotoxic metabolites from fve 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 fve 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. 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

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. 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

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

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

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

Progress on reducing acrylamide levels in potato crisps in Europe, 2002 to 2019

A - Papers appearing in refereed journals
Powers, S. J., Mottram, D. S., Curtis, A. and Halford, N. G. 2021. Progress on reducing acrylamide levels in potato crisps in Europe, 2002 to 2019. Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment. https://doi.org/10.1080/19440049.2020.1871083

Resolving the identification of weak-flying insects during flight: a coupling between rigorous data processing and biology

A - Papers appearing in refereed journals
Hassall, K. L., Dye, A., Potamitis, I and Bell, J. R. 2021. Resolving the identification of weak-flying insects during flight: a coupling between rigorous data processing and biology. Agricultural and Forest Entomology. https://doi.org/10.1111/afe.12453

Gene-based mapping of trehalose biosynthetic pathway genes reveals association with source- and sink-related yield traits in a spring wheat panel

A - Papers appearing in refereed journals
Lyra, D. H., Griffiths, C. A., Watson, A., Joynson, R., Molero, G., Igna, A. A., Hassani-Pak, K., Reynolds, M. P., Hall, A. and Paul, M. J. 2021. Gene-based mapping of trehalose biosynthetic pathway genes reveals association with source- and sink-related yield traits in a spring wheat panel. Food and Energy Security. p. e292. https://doi.org/10.1002/fes3.292

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

Using a meta-analysis approach to understand complexity in soil biodiversity and phosphorus acquisition in plants

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. 2020. Using a meta-analysis approach to understand complexity in soil biodiversity and phosphorus acquisition in plants. Soil Biology and Biochemistry. 142, p. 107695. https://doi.org/10.1016/j.soilbio.2019.107695

Data Study Group Network Final Report: Rothamsted Research

A - Papers appearing in refereed journals
Breure, T., Carmona, C. U., Ellisck, S., Evans, B., Fahmi, A., Haefele, S. M., Hassall, K. L., Loning, M., Ruiz, D. P., Shchepanovska, D. and Thomas, C. L. 2020. Data Study Group Network Final Report: Rothamsted Research. Data Study Group Network Final Report: Rothamsted Research. Zenodo. https://doi.org/10.5281/zenodo.3775489

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. 44 (2), p. 22. https://doi.org/10.1140/epje/i2020-11963-x

Using a meta-analysis approach to understand complexity in soil biodiversity and phosphorous acquisition in plants

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. 2020. Using a meta-analysis approach to understand complexity in soil biodiversity and phosphorous acquisition in plants. Soil Biology and Biochemistry. 142, p. 107695. https://doi.org/10.1016/j/soilbio.2019.107695

The impact of drought and rewetting on N2O emissions from soil in temperate and Mediterranean climates

A - Papers appearing in refereed journals
Barrat, H., Evans, J., Chadwick, D. R., Clark, I. M., Le Cocq, K. and Cardenas, L. M. 2020. The impact of drought and rewetting on N2O emissions from soil in temperate and Mediterranean climates. European Journal of Soil Science. https://doi.org/10.1111/ejss.13015

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