Computational and Analytical Sciences

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

Outputs

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The First Comprehensive Chemical Profiling of Vachellia gummifera (Willd.) Kyal. & Boatwr., a Plant with Medicinal Value

A - Papers appearing in refereed journals
Kisiriko, M., Noleto-Dias, C., Bitchagno-Mbahbou, G., Naboulsi, I., Anastasiadi, M., Terry, L.A., Sobeh, M., Beale, M. H. and Ward, J. L. 2024. The First Comprehensive Chemical Profiling of Vachellia gummifera (Willd.) Kyal. & Boatwr., a Plant with Medicinal Value. Chemistry & Biodiversity. p. e202400396. https://doi.org/10.1002/cbdv.202400396

The Broadbalk Wheat Experiment, Rothamsted, UK Crop yields and soil changes during the last 50 years

A - Papers appearing in refereed journals
Poulton, P. R., Johnston, A. E., Glendining, M. J., White, R. P., Gregory, A. S., Clark, S. J., Gregory, W., Macdonald, A. J. and Powlson, D. S. 2024. The Broadbalk Wheat Experiment, Rothamsted, UK Crop yields and soil changes during the last 50 years. Advances in Agronomy. 184, pp. 173-298. https://doi.org/10.1016/bs.agron.2023.11.003

A semiochemical view of the ecology of the seed beetle Acanthoscelides obtectus Say (Coleoptera: Chrysomelidae, Bruchinae)

A - Papers appearing in refereed journals
Vuts, J., Powers, S. J., Venter, E. and Szentesi, A. 2023. A semiochemical view of the ecology of the seed beetle Acanthoscelides obtectus Say (Coleoptera: Chrysomelidae, Bruchinae). Annals of Applied Biology - AAB. 184 (1), pp. 19-36. https://doi.org/10.1111/aab.12862

The origin of pine pollen grains captured from air at Calypsobyen, Svalbard

A - Papers appearing in refereed journals
Jedryczka, M., Zuraw, B., Zagorski, P, Rodzik, J., Medrek, K., Pidek, I. A., Haratym, W., Kaczmarek, J. and Sadys, M. 2023. The origin of pine pollen grains captured from air at Calypsobyen, Svalbard. Polish polar research. 44 (3), pp. 313-338. https://doi.org/10.24425/ppr.2022.143312

Genotypic Response of Finger Millet to Zinc and Iron Agronomic Biofortification, Location and Slope Position towards Yield

A - Papers appearing in refereed journals
Teklu, D., Gashu, D., Joy, E., Lark, R. M., Bailey, E., Wilson, L., Amede, T. and Broadley, M. 2023. Genotypic Response of Finger Millet to Zinc and Iron Agronomic Biofortification, Location and Slope Position towards Yield. Agronomy. 13 (6), p. 1452. https://doi.org/10.3390/agronomy13061452

Response of three cereal crops in continuous arable or ley-arable rotations to fertiliser nitrogen and soil nitrogen at Rothamsted's Woburn Ley-arable experiment

A - Papers appearing in refereed journals
Poulton, P. R., Johnston, A. E. and White, R. P. 2023. Response of three cereal crops in continuous arable or ley-arable rotations to fertiliser nitrogen and soil nitrogen at Rothamsted's Woburn Ley-arable experiment. Soil Use and Management. 39 (2), pp. 771-784. https://doi.org/10.1111/sum.12872

Selenium Concentration in Cattle Serum and Fodder from Two Areas in Ethiopia with Contrasting Human Selenium Concentration

A - Papers appearing in refereed journals
Hailu, K., Gashu, D., Joy, E., Alonso, S., Gizaw, S., Gameda, S., Ander, E. L., Bailey, E., Wilson, L., Lark, R. M., Kumssa, D. B. and Broadley, M. 2022. Selenium Concentration in Cattle Serum and Fodder from Two Areas in Ethiopia with Contrasting Human Selenium Concentration. Frontiers in Bioscience -Landmark. 27 (7), p. 200. https://doi.org/10.31083/j.fbl2707200

Linkages between soil, crop, livestock, and human selenium status in Sub-Saharan Africa: a scoping review.

A - Papers appearing in refereed journals
Mutonhodza, B., Joy, E., Bailey, E., Lark, R. M., Kangara, G., Broadley, M., Matsungo, T. M. and Chopera, P. 2022. Linkages between soil, crop, livestock, and human selenium status in Sub-Saharan Africa: a scoping review. International Journal of Food Science and Technology. 57 (10), pp. 6336-6349. https://doi.org/10.1111/ijfs.15979

Using cloud radar to investigate the effect of rainfall on migratory insect flight

A - Papers appearing in refereed journals
Wainwright, C. E., Volponi, S. N., Stepanian, P. M., Reynolds, D. R. and Richter, D. H. 2022. Using cloud radar to investigate the effect of rainfall on migratory insect flight. Methods in ecology and evolution. https://doi.org/10.1111/2041-210X.14023

Proanthocyanidin Biosynthesis in the Developing Wheat Seed Coat Investigated by Chemical and RNA-seq Analysis

A - Papers appearing in refereed journals
Phillips, A. L., Vaughan, S., Baker, J., Primavesi, L. F., Patil, A., King, R., Hassani-Pak, K., Kulasekaran, S., Coghill, J., Ward, J. L. and Huttly, A. K. 2022. Proanthocyanidin Biosynthesis in the Developing Wheat Seed Coat Investigated by Chemical and RNA-seq Analysis. Plant Direct. 6 (10), p. e453. https://doi.org/10.1002/pld3.453

Novel molecules and target genes for vegetative heat tolerance in wheat

A - Papers appearing in refereed journals
Rose, T., Wilkinson, M. D., Lowe, C., Xu, J., Hughes, D. J., Hassall, K. L., Hassani-Pak, K., Amberkar, S., Noleto-Dias, C., Ward, J. L. and Heuer, S. 2022. Novel molecules and target genes for vegetative heat tolerance in wheat. Plant Environmental Interactions. 3 (6), pp. 264-289. https://doi.org/10.1002/pei3.10096

The distribution of covert microbial natural enemies of a globally invasive crop pest, fall armyworm, in Africa: Enemy release and spillover events

A - Papers appearing in refereed journals
Withers, A., Rice, A., De Boer, J., Donkersley, P., Pearson, A. J., Chipabika, G., Karangwa, P., Uzayisenga, B., Mensah, B. A., Mensah, S. A., Nkunika, P. O. Y., Kachigamba, D., Smith, J. A., Jones, C. M. and Wilson, K. 2022. The distribution of covert microbial natural enemies of a globally invasive crop pest, fall armyworm, in Africa: Enemy release and spillover events. Journal of Animal Ecology. 91 (9), pp. 1826-1841. https://doi.org/10.1111/1365-2656.13760

A Near-Chromosome Level Genome Assembly of the European Hoverfly, Sphaerophoria Rueppellii (Diptera: Syrphidae), and a Comparative Analysis of Insecticide Resistance-Related Gene Families in Hemipteran Crop Pests and Pollinators

A - Papers appearing in refereed journals
Bailey, E., Field, L. M., Rawlings, C. J., King, R., Mohareb, F., Hassani-Pak, K., Hughes, D. J., Williamson, M. S., Ganko, E., Buer, B. and Nauen, R. 2022. A Near-Chromosome Level Genome Assembly of the European Hoverfly, Sphaerophoria Rueppellii (Diptera: Syrphidae), and a Comparative Analysis of Insecticide Resistance-Related Gene Families in Hemipteran Crop Pests and Pollinators. BMC Genomics. 23 (1), p. 198. https://doi.org/10.1186/s12864-022-08436-5

A scaffold-level genome assembly of a minute pirate bug, Orius laevigatus, and a comparative analysis of insecticide resistance-related gene families with hemipteran crop pests

A - Papers appearing in refereed journals
Bailey, E., Field, L. M., Rawlings, C. J., King, R., Mahareb, F., Hassani-Pak, K., Hughes, D. J., Williamson, M. S., Ganko, E., Buer, B. and Nauen, R. 2022. A scaffold-level genome assembly of a minute pirate bug, Orius laevigatus, and a comparative analysis of insecticide resistance-related gene families with hemipteran crop pests. BMC Genomics. 23, p. 45. https://doi.org/10.1186/s12864-021-08249-y

Digital phenotyping and genotype-to-phenotype (G2P) models to predict complex traits in cereal crops

B - Book chapters etc edited externally
Virlet, N., Lyra, D. H. and Hawkesford, M. J. 2022. Digital phenotyping and genotype-to-phenotype (G2P) models to predict complex traits in cereal crops. in: Walter, A. (ed.) Advances in plant phenotyping for more sustainable crop production Burleigh Dodds.

Optimizing Genomic-Enabled Prediction in Small-Scale Maize Hybrid Breeding Programs: A Roadmap Review

A - Papers appearing in refereed journals
Fritsche-Neto, R., Galli, G., Borges, K. L. R., Costa-Neto, G., Alves, F. C., Sabadin, F., Lyra, D. H., Morais, P. P. P., De Andrade, L. R. B., Granato, I. and Crossa, J. 2021. Optimizing Genomic-Enabled Prediction in Small-Scale Maize Hybrid Breeding Programs: A Roadmap Review. Frontiers in Plant Science. 12, p. 658267. https://doi.org/10.3389/fpls.2021.658267

Daisychain Search and Interactive Visualisation of Homologs in Genome Assemblies

A - Papers appearing in refereed journals
Schliebs, O., Chan, C-K. K., Bayer, P. E., Petereit, J., Singh, A., Hassani-Pak, K., Batley, J. and Edwards, D. 2021. Daisychain Search and Interactive Visualisation of Homologs in Genome Assemblies. Agronomy. 11 (12), p. 2587. https://doi.org/10.3390/agronomy11122587

Evaluating the Effects of Minimal Risk Natural Products for Control of the Tick, Ixodes scapularis (Acari: Ixodidae)

A - Papers appearing in refereed journals
Dyer, M. C., Requintina, M. D., Berger, K., Puggioni, G. and Mather, T. N. 2021. Evaluating the Effects of Minimal Risk Natural Products for Control of the Tick, Ixodes scapularis (Acari: Ixodidae). Journal of Medical Entomology. 58 (1), pp. 390-397. https://doi.org/10.1093/jme/tjaa188

Impact of the colonization of Leifsonia xyli subsp. xyli in a susceptible sugarcane genotype on water status and physiological traits

A - Papers appearing in refereed journals
Garcia, F. H. S., Da Silva Barros, T., Coelho, R. D., Laborde, M. C. F., Azevedo, R. A., Lyra, D. H. and Kluge, R. A. 2021. Impact of the colonization of Leifsonia xyli subsp. xyli in a susceptible sugarcane genotype on water status and physiological traits. European Journal of Plant Pathology. 159 (1), pp. 839-849. https://doi.org/10.1007/s10658-021-02209-8

Microsatellites reveal that genetic mixing commonly occurs between invasive fall armyworm populations in Africa

A - Papers appearing in refereed journals
Withers, A., De Boer, J., Chipabika, G., Zhang, L., Smith, J. A., Jones, C. M. and Wilson, K. 2021. Microsatellites reveal that genetic mixing commonly occurs between invasive fall armyworm populations in Africa. Scientific Reports. 11, p. 20757. https://doi.org/10.1038/s41598-021-00298-3

Bumble bees strategically use ground level linear features in navigation

A - Papers appearing in refereed journals
Brebner, J. S., Makinson, J. C., Bates, O. K., Rossi, N., Lim, K. S., Dubois, T., Gomez-Moracho, T., Lihoreau, M., Chittka, L. and Woodgate, J. L. 2021. Bumble bees strategically use ground level linear features in navigation. Animal Behaviour. 179, pp. 147-160. https://doi.org/10.1016/j.anbehav.2021.07.003

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 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 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

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

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

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. 38 (5), pp. 782-806. https://doi.org/10.1080/19440049.2020.1871083

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

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: Genes, Genomes, Genetics. 10 (10), pp. 3675-3686. https://doi.org/10.1534/g3.120.401436

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

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

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 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. 72 (5), p. 1634–1648. https://doi.org/10.1093/jxb/eraa562

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

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

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

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