CAS: Molecular Discovery

TitleCAS: Molecular Discovery
TypeResearch cluster

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Estimation of the iron bioavailability in green vegetables using an in vitro digestion/Caco-2 cell model

A - Papers appearing in refereed journals
Rodriguez-Ramiro, I., Dellaquila, C., Ward, J. L., Neal, A. L., Bruggaber, S. F. A, Shewry, P. R. and Fairweather-Tail, S. 2019. Estimation of the iron bioavailability in green vegetables using an in vitro digestion/Caco-2 cell model. Food Chemistry. 301 (15 December), p. 125292. https://doi.org/10.1016/j.foodchem.2019.125292

Metabolomics analysis and biological investigation of three Malvaceae plants

A - Papers appearing in refereed journals
Abdelhafez, O. H., Othman, E. M., Fahim, J. R., Desoukey, S. Y., Pimentel-Elardo, S. M., Nodwell, J. R., Schirmeister, T., Tawfike, A. and Adbelmohsen, U. R. 2019. Metabolomics analysis and biological investigation of three Malvaceae plants. Phytochemical Analysis. https://doi.org/10.1002/pca.2883

Phenylalkanoid glycosides (non-salicinoids) from wood chips of Salix triandra × dasyclados hybrid willow

A - Papers appearing in refereed journals
Noleto-Dias, C., Wu, Y., Bellisai, A., Macalpine, W. J., Beale, M. H. and Ward, J. L. 2019. Phenylalkanoid glycosides (non-salicinoids) from wood chips of Salix triandra × dasyclados hybrid willow. Molecules. 24 (6), p. 1152. https://doi.org/10.3390/molecules24061152

Influence of Pickling Process on Allium cepa and Citrus limon Metabolome as Determined via Mass Spectrometry-Based Metabolomics

A - Papers appearing in refereed journals
Tawfike, A. F., Farag, M. A., Donia, M. S., Ehrlich, A. and Wessjohann, L. A. 2019. Influence of Pickling Process on Allium cepa and Citrus limon Metabolome as Determined via Mass Spectrometry-Based Metabolomics. Molecules. 24 (5), p. 928. https://doi.org/10.3390/molecules24050928

Application of metabolomics and molecular networking in investigating the chemical profile and antitrypanosomal activity of British bluebells ( Hyacinthoides non-scripta )

A - Papers appearing in refereed journals
Raheem, D., Tawfike, A. F, Abdulmohsen, U., Edrada-Ebel, R. and Fitzsimmons-Thoss, V. 2019. Application of metabolomics and molecular networking in investigating the chemical profile and antitrypanosomal activity of British bluebells ( Hyacinthoides non-scripta ). Scientific Reports. 9 (1), p. 2547. https://doi.org/10.1038/s41598-019-38940-w

A Possible Connection Between Plant Longevity and the Absence of Protein Fibrillation: Basis for Identifying Aggregation Inhibitors in Plants

A - Papers appearing in refereed journals
Mohammed-Beigi, H., Kjaer, L., Eskandari, H., Aliakbari, F., Christiansen, G., Ruvo, G., Ward, J. L. and Otzen, D.E. 2019. A Possible Connection Between Plant Longevity and the Absence of Protein Fibrillation: Basis for Identifying Aggregation Inhibitors in Plants. Frontiers in Plant Science. 10, p. 148. https://doi.org/10.3389/fpls.2019.00148

Oleuropein derivatives from olive fruit extracts reduce α-synuclein fibrillation and oligomer toxicity

A - Papers appearing in refereed journals
Mohammed-Beigi, H., Aliakbari, F., Sahin, C., Lomax, C., Tawfike, A., Shafer, N.P., Amiri-Nowdijeh, A., Eskandari, E., Moller, I.M., Hosseini-Mazinani, M., Christiansen, G., Ward, J. L., Morshedi, D. and Otzen, D.E 2019. Oleuropein derivatives from olive fruit extracts reduce α-synuclein fibrillation and oligomer toxicity. Journal of Biological Chemistry. 294, pp. 4215-4232. https://doi.org/10.1074/jbc.RA118.005723

New bioactive metabolites from the elicited marine sponge-derived bacterium Actinokineospora spheciospongiae sp. nov.

A - Papers appearing in refereed journals
Tawfike, A., Attia, E. Z., Desoukey, S. Y., Hajjar, D., Makki, A. A., Schupp, P. J., Edrada-Ebel, R. and Abdelmohsen, U. R. 2019. New bioactive metabolites from the elicited marine sponge-derived bacterium Actinokineospora spheciospongiae sp. nov. AMB Express. 9 (12). https://doi.org/10.1186/s13568-018-0730-0

Isolation of anticancer and anti-trypanosome secondary metabolites from the endophytic fungus Aspergillus flocculus via bioactivity guided isolation and MS based metabolomics

A - Papers appearing in refereed journals
Tawfike, A. F, Romli, M., Clements, C., Abbott, G., Young, L., Schumacher, M., Diederich, M., Farag, M. and Edrada-Ebel, R. 2019. Isolation of anticancer and anti-trypanosome secondary metabolites from the endophytic fungus Aspergillus flocculus via bioactivity guided isolation and MS based metabolomics. Journal Of Chromatography B. 1106-1107 (1 February), pp. 71-83. https://doi.org/10.1016/j.jchromb.2018.12.032

Metabolomic-Guided Isolation of Bioactive Natural Products from Curvularia sp., an Endophytic Fungus of Terminalia laxiflora

A - Papers appearing in refereed journals
Tawfike, A. F., Abbott, G., Young, L. and Edrada-Ebel, R. 2018. Metabolomic-Guided Isolation of Bioactive Natural Products from Curvularia sp., an Endophytic Fungus of Terminalia laxiflora. Planta Medica. 84 (3), pp. 182-190. https://doi.org/10.1055/s-0043-118807

The anaplerotic node is essential for the intracellular survival of Mycobacterium tuberculosis

A - Papers appearing in refereed journals
Basu, P., Sandhu, N., Bhatt, A., Singh, A., Balhana, R., Gobe, I., Crowhurst, N. A., Mendum, T. A., Gao, L., Ward, J. L., Beale, M. H., McFadden J. and Beste, D. J. V. 2018. The anaplerotic node is essential for the intracellular survival of Mycobacterium tuberculosis. Journal of Biological Chemistry. 293 (15), pp. 5695-5704. https://doi.org/10.1074/jbc.RA118.001839

Effects of Organic and Conventional Crop Nutrition on Profiles of Polar Metabolites in Grain of Wheat

A - Papers appearing in refereed journals
Shewry, P. R., Rakszegi, M., Lovegrove, A., Amos, D., Corol, D. I., Tawfike, A., Miko, P. and Ward, J. L. 2018. Effects of Organic and Conventional Crop Nutrition on Profiles of Polar Metabolites in Grain of Wheat. Journal of Agricultural and Food Chemistry. 66 (21), pp. 5346-5351. https://doi.org/10.1021/acs.jafc.8b01593

Salicin-7-sulfate: A new salicinoid from willow and implications for herbal medicine

A - Papers appearing in refereed journals
Noleto-Dias, C., Ward, J. L., Bellisai, A., Lomax, C. and Beale, M. H. 2018. Salicin-7-sulfate: A new salicinoid from willow and implications for herbal medicine. Fitoterapia. 127 (June), pp. 166-172. https://doi.org/10.1016/j.fitote.2018.02.009

Metabolomic Tools to Assess the Chemistry and Bioactivity of Endophytic Aspergillus Strain

A - Papers appearing in refereed journals
Tawfike, A. F., Tate, R., Abbott, G., Young, L., Viegelmann, C., Schumacher, M., Diederich, M. and Edrada-Ebel, R. 2017. Metabolomic Tools to Assess the Chemistry and Bioactivity of Endophytic Aspergillus Strain. Chemistry & Biodiversity. 14, p. e1700040. https://doi.org/10.1002/cbdv.201700040

Defining genetic and chemical diversity in wheat grain by 1H-NMR spectroscopy of polar metabolites

A - Papers appearing in refereed journals
Shewry, P. R., Corol, D. I., Jones, H. D., Beale, M. H. and Ward, J. L. 2017. Defining genetic and chemical diversity in wheat grain by 1H-NMR spectroscopy of polar metabolites. Molecular Nutrition & Food Research. 61 (7), p. 1600807. https://doi.org/10.1002/mnfr.201600807

The Gsp-1 genes encode the wheat arabinogalactan peptide

C2 - Non-edited contributions to conferences
Wilkinson, M. D., Tosi, P., Lovegrove, A., Corol, D. I., Ward, J. L., Palmer, R., Powers, S., Passmore, D., Webster, G., Marcus, S. E., Knox, J. P. and Shewry, P. R. 2017. The Gsp-1 genes encode the wheat arabinogalactan peptide. Quality and Nutrition at MonoGram 2017, 4-6 April 2017, University of Bristol, Bristol , UK (oral presentation). pp. p10

Feruloylation and structure of arabinoxylan in wheat endosperm cell walls from RNAi lines with suppression of genes responsible for backbone synthesis and decoration

A - Papers appearing in refereed journals
Freeman, J., Ward, J. L., Kosik, O., Lovegrove, A., Wilkinson, M. D., Shewry, P. R. and Mitchell, R. A. C. 2017. Feruloylation and structure of arabinoxylan in wheat endosperm cell walls from RNAi lines with suppression of genes responsible for backbone synthesis and decoration. Plant Biotechnology Journal. 15 (11), pp. 1429-1438. https://doi.org/10.1111/pbi.12727

The Gsp-1 genes encode the wheat arabinogalactan peptide

A - Papers appearing in refereed journals
Wilkinson, M. D., Tosi, P., Lovegrove, A., Corol, D. I., Ward, J. L., Palmer, R., Powers, S. J., Passmore, D., Webster, G., Marcus, S. E., Knox, J. P. and Shewry, P. R. 2017. The Gsp-1 genes encode the wheat arabinogalactan peptide. Journal of Cereal Science. 74 (March), pp. 155-164. https://doi.org/10.1016/j.jcs.2017.02.006

Metabolite Profiling of Sugarcane Genotypes and Identification of Flavonoid Glycosides and Phenolic Acids

A - Papers appearing in refereed journals
Coutinho, I. D., Baker, J. M., Ward, J. L., Beale, M. H., Creste, S. and Cavalheiro, A. J. 2016. Metabolite Profiling of Sugarcane Genotypes and Identification of Flavonoid Glycosides and Phenolic Acids. Journal of Agricultural and Food Chemistry. 64 (21), pp. 4198-4206. https://doi.org/10.1021/acs.jafc.6b01210

Acutifoliside, a novel benzoic acid glycoside from Salix acutifolia

A - Papers appearing in refereed journals
Wu, Y., Dobermann, D., Beale, M. H. and Ward, J. L. 2016. Acutifoliside, a novel benzoic acid glycoside from Salix acutifolia. Natural Product Research. 30 (15), pp. 1731-1739. https://doi.org/10.1080/14786419.2015.1137571

Multi-platform metabolomics analyses of a broad collection of fragrant and non-fragrant rice varieties reveals the high complexity of grain quality characteristics

A - Papers appearing in refereed journals
Mumm, R., Hageman, J. A., Calingacion, M. N., De Vos, R. C. H., Jonker, H. H., Erban, A., Kopka, J., Hansen, T. H., Laursen, K. H., Schjoerring, J. K., Ward, J. L., Beale, M. H., Jongee, S., Rauf, A., Habibi, F., Indrasari, S. D., Sakhan, S., Ramli, A., Romero, M., Reinke, R. F., Ohtsubo, K., Boualaphanh, C., Fitzgerald, M. A. and Hall, R. D. 2016. Multi-platform metabolomics analyses of a broad collection of fragrant and non-fragrant rice varieties reveals the high complexity of grain quality characteristics. Metabolomics. 12, p. 38. https://doi.org/10.1007/s11306-015-0925-1

Triticum monococcum lines with distinct metabolic phenotypes and phloem-based partial resistance to the bird cherry-oat aphid Rhopalosiphum padi

A - Papers appearing in refereed journals
Greenslade, A. F. C., Ward, J. L., Martin, J. L., Corol, D. I., Clark, S. J., Smart, L. E. and Aradottir, G. I. 2016. Triticum monococcum lines with distinct metabolic phenotypes and phloem-based partial resistance to the bird cherry-oat aphid Rhopalosiphum padi. Annals of Applied Biology. 168 (3), pp. 435-449. https://doi.org/10.1111/aab.12274

Using NMR-based metabolomics to evaluate postprandial urinary responses following consumption of minimally processed wheat bran or wheat aleurone by men and women

A - Papers appearing in refereed journals
Garg, R., Brennan, L., Price, R. K., Wallace, J. M. W., Strain, J. J., Gibney, M. J., Shewry, P. R., Ward, J. L., Garg, L. and Welch, R. W. 2016. Using NMR-based metabolomics to evaluate postprandial urinary responses following consumption of minimally processed wheat bran or wheat aleurone by men and women. Nutrients. 8 (2), p. 96. https://doi.org/10.3390/nu8020096

1H-NMR screening for the high-throughput determination of genotype and environmental effects on the content of asparagine in wheat grain

A - Papers appearing in refereed journals
Corol, D. I., Ravel, C., Rakszegi, M., Charmet, G., Bedo, Z., Beale, M. H., Shewry, P. R. and Ward, J. L. 2016. 1H-NMR screening for the high-throughput determination of genotype and environmental effects on the content of asparagine in wheat grain. Plant Biotechnology Journal. 14 (1), pp. 128-139. https://doi.org/10.1111/pbi.12364

Distribution of lipids in the grain of wheat (cv. Hereward) determined by lipidomic analysis of milling and pearling fractions

A - Papers appearing in refereed journals
Gonzalez-Thuillier, I., Salt, L., Chope, G., Penson, S., Skeggs, P., Tosi, P., Powers, S. J., Ward, J. L., Wilde, P., Shewry, P. R. and Haslam, R. P. 2015. Distribution of lipids in the grain of wheat (cv. Hereward) determined by lipidomic analysis of milling and pearling fractions. Journal of Agricultural and Food Chemistry. 63, pp. 10705-10716. https://doi.org/10.1021/acs.jafc.5b05289

Growing innovations for the bioeconomy

A - Papers appearing in refereed journals
Karp, A., Beale, M. H., Beaudoin, F., Eastmond, P. J., Neal, A. L., Shield, I. F., Townsend, B. J. and Dobermann, A. 2015. Growing innovations for the bioeconomy. Nature Plants. 1, p. 15193. https://doi.org/10.1038/nplants.2015.193

Differentially penalized regression to predict agronomic traits from metabolites and markers in wheat

A - Papers appearing in refereed journals
Ward, J. L., Rakszegi, M., Bedo, Z., Shewry, P. R. and Mackay, I. 2015. Differentially penalized regression to predict agronomic traits from metabolites and markers in wheat. BMC Genetics. 16, p. 19. https://doi.org/10.1186/s12863-015-0169-0

Characterisation of the willow phenylalanine ammonia-lyase (Pal) gene family reveals expression differences compared with poplar

A - Papers appearing in refereed journals
De Jong, F., Hanley, S. J., Beale, M. H. and Karp, A. 2015. Characterisation of the willow phenylalanine ammonia-lyase (Pal) gene family reveals expression differences compared with poplar. Phytochemistry. 117 (September), pp. 90-97. https://doi.org/10.1016/j.phytochem.2015.06.005

Postprandial plasma betaine and other methyl donor-related responses after consumption of minimally processed wheat bran or wheat aleurone, or wheat aleurone incorporated into bread

A - Papers appearing in refereed journals
Keaveney, E. M., Price, R. K., Hamill, L. L., Wallace, J. M. W., Mcnulty, H., Ward, M., Strain, J. J., Ueland, P. M., Molloy, A. M., Piironen, V., Von Reding, W., Shewry, P. R., Ward, J. L. and Welch, R. W. 2015. Postprandial plasma betaine and other methyl donor-related responses after consumption of minimally processed wheat bran or wheat aleurone, or wheat aleurone incorporated into bread. British Journal Of Nutrition. 113 (3), pp. 445-453. https://doi.org/10.1017/S0007114514003778

Jake MacMillan: A pioneering chemist in plant biology

A - Papers appearing in refereed journals
Hedden, P. and Beale, M. H. 2014. Jake MacMillan: A pioneering chemist in plant biology. Proceedings of the National Academy of Sciences of the United States of America. 111 (41), pp. 14641-14642. https://doi.org/10.1073/pnas.1414365111

Opposite variations in fumarate and malate dominate metabolic phenotypes of Arabidopsis salicylate mutants with abnormal biomass under chilling

A - Papers appearing in refereed journals
Scott, I. M., Ward, J. L., Miller, S. J. and Beale, M. H. 2014. Opposite variations in fumarate and malate dominate metabolic phenotypes of Arabidopsis salicylate mutants with abnormal biomass under chilling. Physiologia Plantarum. 152 (4), pp. 660-674. https://doi.org/10.1111/ppl.12210

Effect of breadmaking process on In vitro gut microbiota parameters in irritable bowel syndrome

A - Papers appearing in refereed journals
Costabile, A., Santarelli, S., Claus, S. P., Sanderson, J., Hudspith, B. N., Brostoff, J., Ward, J. L., Lovegrove, A., Shewry, P. R., Jones, H. E., Whitley, A. M. and Gibson, G. R. 2014. Effect of breadmaking process on In vitro gut microbiota parameters in irritable bowel syndrome. PLOS ONE. 9, p. e111225. https://doi.org/10.1371/journal.pone.0111225

An efficient high throughput metabotyping platform for screening of biomass willows

A - Papers appearing in refereed journals
Corol, D. I., Harflett, C., Beale, M. H. and Ward, J. L. 2014. An efficient high throughput metabotyping platform for screening of biomass willows. Metabolites. 4 (4), pp. 946-976. https://doi.org/10.3390/metabo4040946

A genome-wide metabolomic resource for tomato fruit from Solanum pennellii

A - Papers appearing in refereed journals
Perez-Fons, L., Wells, T., Corol, D. I., Ward, J. L., Gerrish, C., Beale, M. H., Seymour, G. B., Bramley, P. M. and Fraser, P. D. 2014. A genome-wide metabolomic resource for tomato fruit from Solanum pennellii. Scientific Reports. 4, p. 3859. https://doi.org/10.1038/srep03859

Optimising the content and composition of dietary fibre in wheat grain for end-use quality

B - Book chapters etc edited externally
Shewry, P. R., Saulnier, L., Gebruers, K., Mitchell, R. A. C., Freeman, J., Nemeth, C. and Ward, J. L. 2014. Optimising the content and composition of dietary fibre in wheat grain for end-use quality. in: Tuberosaetal, R. (ed.) Genomics of plant genetic resources Springer, Dordrecht. pp. 455-466

Metabolomics reveals hemiterpenoids as new players in the carbon-nitrogen economy

B - Book chapters etc edited externally
Beale, M. H. and Ward, J. L. 2013. Metabolomics reveals hemiterpenoids as new players in the carbon-nitrogen economy. in: Gang, D. R. (ed.) 50 Years of phytochemistry research (Advances in Phytochemistry 43) Springer, Cham. pp. 1-20

Investigating the origin and transport of methylated arsenic species in plants

F - Theses
Lomax, C. 2013. Investigating the origin and transport of methylated arsenic species in plants. F - Theses

Merits of random forests emerge in evaluation of chemometric classifiers by external validation

A - Papers appearing in refereed journals
Scott, I. M., Lin, W., Liakata, M., Wood, J. E., Vermeer, C. P., Allaway, D., Ward, J. L., Draper, J., Beale, M. H., Corol, D. I., Baker, J. M. and King, R. D. 2013. Merits of random forests emerge in evaluation of chemometric classifiers by external validation. Analytica Chimica Acta. 801, pp. 22-33. https://doi.org/10.1016/j.aca.2013.09.027

Investigating the beneficial traits of Trichoderma hamatum GD12 for sustainable agriculture - insights from genomics

A - Papers appearing in refereed journals
Studholme, D. J., Harris, B., Le Cocq, K., Winsbury, R., Perera, V., Ryder, L., Ward, J. L., Beale, M. H., Thornton, C. R. and Grant, M. 2013. Investigating the beneficial traits of Trichoderma hamatum GD12 for sustainable agriculture - insights from genomics. Frontiers in Plant Science. 4, p. 258 (13pp). https://doi.org/10.3389/fpls.2013.00258

13C-flux spectral analysis of host-pathogen metabolism reveals a mixed diet for intracellular Mycobacterium tuberculosis

A - Papers appearing in refereed journals
Beste, D. J. V., Noh, K., Niedenfuhr, S., Mendum, T. A., Hawkins, N. D., Ward, J. L., Beale, M. H., Wiechert, W. and Mcfadden, J. 2013. 13C-flux spectral analysis of host-pathogen metabolism reveals a mixed diet for intracellular Mycobacterium tuberculosis. Chemistry and Biology. 20 (8), pp. 1012-1021. https://doi.org/10.1016/j.chembiol.2013.06.012

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