CAS: Molecular Discovery

TitleCAS: Molecular Discovery
TypeResearch cluster

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Non-polar compound profile and preliminary assessment of the antifungal activity of Foeniculum vulgare and Thymus vulgaris

A - Papers appearing in refereed journals
Kisiriko, M., Sobeh, M., Ward, J. L., Beale, M. H., Verheecke-Vaessen, C., Terry, L. A. and Anastasiadi, M. 2024. Non-polar compound profile and preliminary assessment of the antifungal activity of Foeniculum vulgare and Thymus vulgaris. Acta Horticulturae. 1358. https://doi.org/10.17660/ActaHortic.2023.1358.29

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

Breeding for novel chemistry in willow: new hetero Diels-Alder cyclodimers based on arbusculoidin and salicortin suggest parallel biosynthetic pathways

A - Papers appearing in refereed journals
Noleto-Dias, C., Lomax, C., Bellisai, A., Ruvo, G., Harflett, C., Macalpine, W. J., Hanley, S. J., Beale, M. H. and Ward, J. L. 2024. Breeding for novel chemistry in willow: new hetero Diels-Alder cyclodimers based on arbusculoidin and salicortin suggest parallel biosynthetic pathways. Plants - Basel. 13 (12), p. 1609. https://doi.org/10.3390/plants13121609

The mechanisms behind the contrasting responses to waterlogging in black-grass (Alopecurus myosuroides) and wheat (Triticum aestivum)

A - Papers appearing in refereed journals
Harrison, C., Noleto-Dias, C., Ruvo, G., Hughes, D. J., Smith, D., Mead, A., Ward, J. L., Heuer, S. and Macgregor, D. 2024. The mechanisms behind the contrasting responses to waterlogging in black-grass (Alopecurus myosuroides) and wheat (Triticum aestivum). Functional Plant Biology. 51, p. FP23193. https://doi.org/10.1071/FP23193

A multiplex approach of MS, 1D-, and 2D-NMR metabolomicsin plant ontogeny A case study on Clusia minor L. organs (leaf, flower, fruit, and seed)

A - Papers appearing in refereed journals
Noleto-Dias, C., Farag, M. A., Porzel, A., Tavares, J. F. and Wessjohann, L. A. 2023. A multiplex approach of MS, 1D-, and 2D-NMR metabolomicsin plant ontogeny A case study on Clusia minor L. organs (leaf, flower, fruit, and seed). Phytochemical Analysis. https://doi.org/10.1002/pca.3300

Chemical profiling of Artemisia herba-alba, Cuminum cyminum, Cinnamomum camphora, and Salvia rosmarinus essential oils and assessment of their insecticidal potential to control the wild cochineal Dactylopius opuntiae (Cockerell)

A - Papers appearing in refereed journals
Naboulsi, I., El Fakhouri, K., Annaz, H., Lamzira, R., Ramdani, C., Bitchagno-Mbahbou, G., Boulamtat, R., Ben Bakrim, W., Mahdi, I., Aboulmouhajir, A., Yasri, A., El Bouhssini, M., Ward, J. L. and Sobeh, M. 2023. Chemical profiling of Artemisia herba-alba, Cuminum cyminum, Cinnamomum camphora, and Salvia rosmarinus essential oils and assessment of their insecticidal potential to control the wild cochineal Dactylopius opuntiae (Cockerell). Crop Protection. 171, p. 106286. https://doi.org/10.1016/j.cropro.2023.106286

Comparative compositions of grain of tritordeum, durum wheat and bread wheat grown in multi-environment trials

A - Papers appearing in refereed journals
Shewry, P. R., Brouns, F., Dunn, J., Hood, J., Burridge, A. J., America, A. H. P., Gilissen, L., Proos-Huijsmans, Z. A. M., Van Straaten, J. P., Jonkers, D., Lazzeri, P. A., Ward, J. L. and Lovegrove, A. 2023. Comparative compositions of grain of tritordeum, durum wheat and bread wheat grown in multi-environment trials. Food Chemistry. 423 (15 Oct), p. 136312. https://doi.org/10.1016/j.foodchem.2023.136312

Metabolomics characterizes early metabolic changes and markers of tolerant Eucalyptus ssp. clones against drought stress

A - Papers appearing in refereed journals
Noleto-Dias, C., De T. Picoli E. A., Porzel, A., Wessjohann L. A., Tavares Josean F. and Farag, M. A. 2023. Metabolomics characterizes early metabolic changes and markers of tolerant Eucalyptus ssp. clones against drought stress. Phytochemistry. 212, p. 113715. https://doi.org/10.1016/j.phytochem.2023.113715

Targeted and untargeted metabolomics for the evaluation of plant metabolites in response to the environment - editorial

A - Papers appearing in refereed journals
Han, W., Ward, J. L., Kong, Y. and Li, X. 2023. Targeted and untargeted metabolomics for the evaluation of plant metabolites in response to the environment - editorial. Frontiers in Plant Science. 14, p. 1167513. https://doi.org/10.3389/fpls.2023.1167513

Comparative Compositions of Grain of Bread Wheat, Emmer and Spelt Grown with Different Levels of Nitrogen Fertilisation

A - Papers appearing in refereed journals
Lovegrove, A., Dunn, J., Pellny, T. K., Hood, J., Burridge, A. J., America, A. H. P., Gilissen, L., Timmer, R., Proos-Huijsmans, Z. A. M/, Van Straaten, J. P., Jonkers, D., Ward, J. L., Brouns, F. and Shewry, P. R. 2023. Comparative Compositions of Grain of Bread Wheat, Emmer and Spelt Grown with Different Levels of Nitrogen Fertilisation. Foods. 12 (4), p. 843. https://doi.org/10.3390/foods12040843

Insecticidal Activities of Atriplex halimus L., Salvia rosmarinus Spenn. and Cuminum cyminum L. against Dactylopius opuntiae (Cockerell) under Laboratory and Greenhouse Conditions.

A - Papers appearing in refereed journals
Naboulsi, I., Fakhouri, K. E., Lamzira, R., Ramdani, C., Bitchagno-Mbahbou, G., Boulamtat, R., Bakrim, W. B., Mahdi, I., Aboulmouhajir, A., Yasri, A., Bouhssini, M. E., Ward, J. L. and Sobeh, M. 2022. Insecticidal Activities of Atriplex halimus L., Salvia rosmarinus Spenn. and Cuminum cyminum L. against Dactylopius opuntiae (Cockerell) under Laboratory and Greenhouse Conditions. Insects. 13 (10), p. 930. https://doi.org/10.3390/insects13100930

Toward the Allelopathy of Peganum sp. and Related Chemical Constituents in Agriculture

A - Papers appearing in refereed journals
Bitchagno-Mbahbou, G., Bouhssini, M. E., Mahdi, I., Ward, J. L. and Sobeh, M. 2022. Toward the Allelopathy of Peganum sp. and Related Chemical Constituents in Agriculture. Frontiers in Plant Science. 12, p. 796103. https://doi.org/10.3389/fpls.2021.796103

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

Diverting phenylpropanoid pathway flux from sinapine to produce industrially useful 4-vinyl derivatives of hydroxycinnamic acids in Brassicaceous oilseeds

A - Papers appearing in refereed journals
Menard, G. N., Langdon, M., Bhunia, R., Shankhapal, A., Noleto-Dias, C., Lomax, C., Ward, J. L., Kurup, S. and Eastmond, P. J. 2022. Diverting phenylpropanoid pathway flux from sinapine to produce industrially useful 4-vinyl derivatives of hydroxycinnamic acids in Brassicaceous oilseeds. Metabolic Engineering. 70, pp. 196-205. https://doi.org/10.1016/j.ymben.2022.01.016

Dissecting grilled red and white meat flavor: Its characteristics, production mechanisms, influencing factors and chemical hazards

A - Papers appearing in refereed journals
Bassam, S. M., Noleto-Dias, C. and Farag, M. A. 2022. Dissecting grilled red and white meat flavor: Its characteristics, production mechanisms, influencing factors and chemical hazards. Food Chemistry. 371, p. 131139. https://doi.org/10.1016/j.foodchem.2021.131139

γ-Glutamyl-β-phenylethylamine, a novel αglucosidase and α-amylase inhibitory compound from Termitomyces robustus, an edible Nigerian mushroom

A - Papers appearing in refereed journals
Ogbole, O., Noleto-Dias, C., Kamdem, R. S. T., Toluwanimi, E. A., Nkumah, A., Ward, J. L. and Beale, M. H. 2021. γ-Glutamyl-β-phenylethylamine, a novel αglucosidase and α-amylase inhibitory compound from Termitomyces robustus, an edible Nigerian mushroom. Natural Product Research. (December 8), pp. 1-11. https://doi.org/10.1080/14786419.2021.2012774

Comparative compositions of metabolites and dietary fibre components in doughs and breads produced from bread wheat, emmer and spelt and using yeast and sourdough processes.

A - Papers appearing in refereed journals
Shewry, P. R., America, A. H. P., Lovegrove, A., Wood, A., Plummer, A., Evans, J., Van den Broeck, H. C., Gilissen, L., Mumm, R., Ward, J. L., Proos, Z., Kuiper, P., Longin, C. F. H., Andersson, A. A. M., Van Straaten, J. P., Jonkers, D. and Brouns, F. 2021. Comparative compositions of metabolites and dietary fibre components in doughs and breads produced from bread wheat, emmer and spelt and using yeast and sourdough processes. Food Chemistry. 374 (16 April 2022), p. 131710. https://doi.org/10.1016/j.foodchem.2021.131710

Phenolics from Medicinal and Aromatic Plants: Characterisation and Potential as Biostimulants and Bioprotectants

A - Papers appearing in refereed journals
Kisiriko, M., Anastasiadi, M., Terry, L. A., Yasri, A., Beale, M. H. and Ward, J. L. 2021. Phenolics from Medicinal and Aromatic Plants: Characterisation and Potential as Biostimulants and Bioprotectants. Molecules. 26 (21), p. 6343. https://doi.org/10.3390/molecules26216343

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

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

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

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

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

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. 45 (4), pp. 362-373. https://doi.org/10.1111/nbu.12461

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

Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity

A - Papers appearing in refereed journals
Ward, J. L., Moing, A., Allwood, J. W., Aharoni, A., Baker, J., Beale, M. H., Ben-Dor, S., Biais, B., Brigante, F., Burger, Y., Deborde, C., Erban, A., Faigenboim, A., Gur, A., Goodacre, R., Hansen, T. H., Jacob, D., Katzir, N., Kopka, J., Lewinsohn, E., Maucourt, M., Meir, S., Miller, S., Mumm, R., Oren, E., Paris, H. S., Rogachev, I., Rolin, D., Saar, U., Schjoerring, J. K., Tadmor, Y., Tzuri, G., Vos, R. C. D., Ward, J. L., Yeselson, E., Hall, R. D. and Schaffer, A. A. 2020. Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity. Metabolites. 10 (3), pp. 121-147. https://doi.org/10.3390/metabo10030121

Miyabeacin: A new cyclodimer presents a potential role for willow in cancer therapy.

A - Papers appearing in refereed journals
Ward, J. L., Wu, Y., Harflett, C., Onafuye, H., Corol, D. I., Lomax, C., Macalpine, W. J., Cinatl, J., Wass, M. N., Michaelis, M. and Beale, M. H. 2020. Miyabeacin: A new cyclodimer presents a potential role for willow in cancer therapy. Scientific Reports. 10, p. 6477. https://doi.org/10.1038/s41598-020-63349-1

Historical changes in the contents and compositions of fibre components and polar metabolites in white wheat flour

A - Papers appearing in refereed journals
Lovegrove, A., Pellny, T. K., Hassall, K. L., Plummer, A., Wood, A., Bellisai, A., Przewieslik-Allen, A., Burridge, A. J., Ward, J. L. and Shewry, P. R. 2020. Historical changes in the contents and compositions of fibre components and polar metabolites in white wheat flour. Scientific Reports. 10, p. 5920. https://doi.org/10.1038/s41598-020-62777-3

Sulfated flavanones and dihydroflavonols from willow

A - Papers appearing in refereed journals
Noleto-Dias, C., Harflett, C., Beale, M. H. and Ward, J. L. 2020. Sulfated flavanones and dihydroflavonols from willow. Phytochemistry Letters. 35 (February), pp. 88-93. https://doi.org/10.1016/j.phytol.2019.11.008

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

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