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1. Femtosecond temperature measurements of laser-shocked copper deduced from the intensity of the x-ray thermal diffuse scattering

Author

Wark, J. S., Peake, D. J., Stevens, T., Heighway, P. G., Ping, Y., Sterne, P., Albertazzi, B., Ali, S. J., Antonelli, L., Armstrong, M. R., Baehtz, C., Ball, O. B., Banerjee, S., Belonoshko, A. B., Bolme, C. A., Bouffetier, V., Briggs, R., Buakor, K., Butcher, T., Cafiso, S. Di Dio, Cerantola, V., Chantel, J., Di Cicco, A., Coleman, A. L., Collier, J., Collins, G., Comley, A. J., Coppari, F., Cowan, T. E., Cristoforetti, G., Cynn, H., Descamps, A., Dorchies, F., Duff, M. J., Dwivedi, A., Edwards, C., Eggert, J. H., Errandonea, D., Fiquet, G., Galtier, E., Garcia, A. Laso, Ginestet, H., Gizzi, L., Gleason, A., Goede, S., Gonzalez, J. M., Gorman, M. G., Harmand, M., Hartley, N., Hernandez-Gomez, C., Higginbotham, A., Höppner, H., Humphries, O. S., Husband, R. J., Hutchinson, T. M., Hwang, H., Keen, D. A., Kim, J., Koester, P., Konopkova, Z., Kraus, D., Krygier, A., Labate, L., Lazicki, A. E., Lee, Y., Liermann, H-P., Mason, P., Masruri, M., Massani, B., McBride, E. E., McGuire, C., McHardy, J. D., McGonegle, D., McWilliams, R. S., Merkel, S., Morard, G., Nagler, B., Nakatsutsumi, M., Nguyen-Cong, K., Norton, A-M., Oleynik, I. I., Otzen, C., Ozaki, N., Pandolfi, S., Pelka, A., Pereira, K. A., Phillips, J. P., Prescher, C., Preston, T., Randolph, L., Ranjan, D., Ravasio, A., Redmer, R., Rips, J., Santamaria-Perez, D., Savage, D. J., Schoelmerich, M., Schwinkendorf, J-P., Singh, S., Smith, J., Smith, R. F., Sollier, A., Spear, J., Spindloe, C., Stevenson, M., Strohm, C., Suer, T-A., Tang, M., Toncian, M., Toncian, T., Tracy, S. J., Trapananti, A., Tschentscher, T., Tyldesley, M., Vennari, C. E., Vinci, T., Vogel, S. C., Volz, T. J., Vorberger, J., Willman, J. T., Wollenweber, L., Zastrau, U., Brambrink, E., Appel, K., and McMahon, M. I.

Subjects
Condensed Matter - Materials Science, Physics - Applied Physics
Abstract

We present 50-fs, single-shot measurements of the x-ray thermal diffuse scattering (TDS) from copper foils that have been shocked via nanosecond laser-ablation up to pressures above 135~GPa. We hence deduce the x-ray Debye-Waller (DW) factor, providing a temperature measurement. The targets were laser-shocked with the DiPOLE 100-X laser at the High Energy Density (HED) endstation of the European X-ray Free-Electron Laser (EuXFEL). Single x-ray pulses, with a photon energy of 18 keV, were scattered from the samples and recorded on Varex detectors. Despite the targets being highly textured (as evinced by large variations in the elastic scattering), and with such texture changing upon compression, the absolute intensity of the azimuthally averaged inelastic TDS between the Bragg peaks is largely insensitive to these changes, and, allowing for both Compton scattering and the low-level scattering from a sacrificial ablator layer, provides a reliable measurement of $T/\Theta_D^2$, where $\Theta_D$ is the Debye temperature. We compare our results with the predictions of the SESAME 3336 and LEOS 290 equations of state for copper, and find good agreement within experimental errors. We thus demonstrate that single-shot temperature measurements of dynamically compressed materials can be made via thermal diffuse scattering of XFEL radation., Comment: 17 pages, 9 figures in main article; 10 pages, 5 figures in supplementary material

Published
2025

2. Shock compression experiments using the DiPOLE 100-X laser on the high energy density instrument at the European x-ray free electron laser: Quantitative structural analysis of liquid Sn

Author

Gorman, M, Mcgonegle, D, Smith, R, Singh, S, Jenkins, T, Mcwilliams, R, Albertazzi, B, Ali, S, Antonelli, L, Armstrong, M, Baehtz, C, Ball, O, Banerjee, S, Belonoshko, A, Benuzzi-Mounaix, A, Bolme, C, Bouffetier, V, Briggs, R, Buakor, K, Butcher, T, Di Dio Cafiso, S, Cerantola, V, Chantel, J, Di Cicco, A, Clarke, S, Coleman, A, Collier, J, Collins, G, Comley, A, Coppari, F, Cowan, T, Cristoforetti, G, Cynn, H, Descamps, A, Dorchies, F, Duff, M, Dwivedi, A, Edwards, C, Eggert, J, Errandonea, D, Fiquet, G, Galtier, E, Laso Garcia, A, Ginestet, H, Gizzi, L, Gleason, A, Goede, S, Gonzalez, J, Harmand, M, Hartley, N, Heighway, P, Hernandez-Gomez, C, Higginbotham, A, Höppner, H, Husband, R, Hutchinson, T, Hwang, H, Lazicki, A, Keen, D, Kim, J, Koester, P, Konopkova, Z, Kraus, D, Krygier, A, Labate, L, Lee, Y, Liermann, H, Mason, P, Masruri, M, Massani, B, Mcbride, E, Mcguire, C, Mchardy, J, Merkel, S, Morard, G, Nagler, B, Nakatsutsumi, M, Nguyen-Cong, K, Norton, A, Oleynik, I, Otzen, C, Ozaki, N, Pandolfi, S, Peake, D, Pelka, A, Pereira, K, Phillips, J, Prescher, C, Preston, T, Randolph, L, Ranjan, D, Ravasio, A, Redmer, R, Rips, J, Santamaria-Perez, D, Savage, D, Schoelmerich, M, Schwinkendorf, J, Smith, J, Sollier, A, Spear, J, Spindloe, C, Stevenson, M, Strohm, C, Suer, T, Tang, M, Toncian, M, Toncian, T, Tracy, S, Trapananti, A, Tschentscher, T, Tyldesley, M, Vennari, C, Vinci, T, Vogel, S, Volz, T, Vorberger, J, Walsh, J, Wark, J, Willman, J, Wollenweber, L, Zastrau, U, Brambrink, E, Appel, K, Mcmahon, M, Gorman, M. G., McGonegle, D., Smith, R. F., Singh, S., Jenkins, T., McWilliams, R. S., Albertazzi, B., Ali, S. J., Antonelli, L., Armstrong, M. R., Baehtz, C., Ball, O. B., Banerjee, S., Belonoshko, A. B., Benuzzi-Mounaix, A., Bolme, C. A., Bouffetier, V., Briggs, R., Buakor, K., Butcher, T., Di Dio Cafiso, S., Cerantola, V., Chantel, J., Di Cicco, A., Clarke, S., Coleman, A. L., Collier, J., Collins, G. W., Comley, A. J., Coppari, F., Cowan, T. E., Cristoforetti, G., Cynn, H., Descamps, A., Dorchies, F., Duff, M. J., Dwivedi, A., Edwards, C., Eggert, J. H., Errandonea, D., Fiquet, G., Galtier, E., Laso Garcia, A., Ginestet, H., Gizzi, L., Gleason, A., Goede, S., Gonzalez, J. M., Harmand, M., Hartley, N. J., Heighway, P. G., Hernandez-Gomez, C., Higginbotham, A., Höppner, H., Husband, R. J., Hutchinson, T. M., Hwang, H., Lazicki, A. E., Keen, D. A., Kim, J., Koester, P., Konopkova, Z., Kraus, D., Krygier, A., Labate, L., Lee, Y., Liermann, H. -P., Mason, P., Masruri, M., Massani, B., McBride, E. E., McGuire, C., McHardy, J. D., Merkel, S., Morard, G., Nagler, B., Nakatsutsumi, M., Nguyen-Cong, K., Norton, A. -M., Oleynik, I. I., Otzen, C., Ozaki, N., Pandolfi, S., Peake, D. J., Pelka, A., Pereira, K. A., Phillips, J. P., Prescher, C., Preston, T. R., Randolph, L., Ranjan, D., Ravasio, A., Redmer, R., Rips, J., Santamaria-Perez, D., Savage, D. J., Schoelmerich, M., Schwinkendorf, J. -P., Smith, J., Sollier, A., Spear, J., Spindloe, C., Stevenson, M., Strohm, C., Suer, T. -A., Tang, M., Toncian, M., Toncian, T., Tracy, S. J., Trapananti, A., Tschentscher, T., Tyldesley, M., Vennari, C. E., Vinci, T., Vogel, S. C., Volz, T. J., Vorberger, J., Walsh, J. P. S., Wark, J. S., Willman, J. T., Wollenweber, L., Zastrau, U., Brambrink, E., Appel, K., McMahon, M. I., Gorman, M, Mcgonegle, D, Smith, R, Singh, S, Jenkins, T, Mcwilliams, R, Albertazzi, B, Ali, S, Antonelli, L, Armstrong, M, Baehtz, C, Ball, O, Banerjee, S, Belonoshko, A, Benuzzi-Mounaix, A, Bolme, C, Bouffetier, V, Briggs, R, Buakor, K, Butcher, T, Di Dio Cafiso, S, Cerantola, V, Chantel, J, Di Cicco, A, Clarke, S, Coleman, A, Collier, J, Collins, G, Comley, A, Coppari, F, Cowan, T, Cristoforetti, G, Cynn, H, Descamps, A, Dorchies, F, Duff, M, Dwivedi, A, Edwards, C, Eggert, J, Errandonea, D, Fiquet, G, Galtier, E, Laso Garcia, A, Ginestet, H, Gizzi, L, Gleason, A, Goede, S, Gonzalez, J, Harmand, M, Hartley, N, Heighway, P, Hernandez-Gomez, C, Higginbotham, A, Höppner, H, Husband, R, Hutchinson, T, Hwang, H, Lazicki, A, Keen, D, Kim, J, Koester, P, Konopkova, Z, Kraus, D, Krygier, A, Labate, L, Lee, Y, Liermann, H, Mason, P, Masruri, M, Massani, B, Mcbride, E, Mcguire, C, Mchardy, J, Merkel, S, Morard, G, Nagler, B, Nakatsutsumi, M, Nguyen-Cong, K, Norton, A, Oleynik, I, Otzen, C, Ozaki, N, Pandolfi, S, Peake, D, Pelka, A, Pereira, K, Phillips, J, Prescher, C, Preston, T, Randolph, L, Ranjan, D, Ravasio, A, Redmer, R, Rips, J, Santamaria-Perez, D, Savage, D, Schoelmerich, M, Schwinkendorf, J, Smith, J, Sollier, A, Spear, J, Spindloe, C, Stevenson, M, Strohm, C, Suer, T, Tang, M, Toncian, M, Toncian, T, Tracy, S, Trapananti, A, Tschentscher, T, Tyldesley, M, Vennari, C, Vinci, T, Vogel, S, Volz, T, Vorberger, J, Walsh, J, Wark, J, Willman, J, Wollenweber, L, Zastrau, U, Brambrink, E, Appel, K, Mcmahon, M, Gorman, M. G., McGonegle, D., Smith, R. F., Singh, S., Jenkins, T., McWilliams, R. S., Albertazzi, B., Ali, S. J., Antonelli, L., Armstrong, M. R., Baehtz, C., Ball, O. B., Banerjee, S., Belonoshko, A. B., Benuzzi-Mounaix, A., Bolme, C. A., Bouffetier, V., Briggs, R., Buakor, K., Butcher, T., Di Dio Cafiso, S., Cerantola, V., Chantel, J., Di Cicco, A., Clarke, S., Coleman, A. L., Collier, J., Collins, G. W., Comley, A. J., Coppari, F., Cowan, T. E., Cristoforetti, G., Cynn, H., Descamps, A., Dorchies, F., Duff, M. J., Dwivedi, A., Edwards, C., Eggert, J. H., Errandonea, D., Fiquet, G., Galtier, E., Laso Garcia, A., Ginestet, H., Gizzi, L., Gleason, A., Goede, S., Gonzalez, J. M., Harmand, M., Hartley, N. J., Heighway, P. G., Hernandez-Gomez, C., Higginbotham, A., Höppner, H., Husband, R. J., Hutchinson, T. M., Hwang, H., Lazicki, A. E., Keen, D. A., Kim, J., Koester, P., Konopkova, Z., Kraus, D., Krygier, A., Labate, L., Lee, Y., Liermann, H. -P., Mason, P., Masruri, M., Massani, B., McBride, E. E., McGuire, C., McHardy, J. D., Merkel, S., Morard, G., Nagler, B., Nakatsutsumi, M., Nguyen-Cong, K., Norton, A. -M., Oleynik, I. I., Otzen, C., Ozaki, N., Pandolfi, S., Peake, D. J., Pelka, A., Pereira, K. A., Phillips, J. P., Prescher, C., Preston, T. R., Randolph, L., Ranjan, D., Ravasio, A., Redmer, R., Rips, J., Santamaria-Perez, D., Savage, D. J., Schoelmerich, M., Schwinkendorf, J. -P., Smith, J., Sollier, A., Spear, J., Spindloe, C., Stevenson, M., Strohm, C., Suer, T. -A., Tang, M., Toncian, M., Toncian, T., Tracy, S. J., Trapananti, A., Tschentscher, T., Tyldesley, M., Vennari, C. E., Vinci, T., Vogel, S. C., Volz, T. J., Vorberger, J., Walsh, J. P. S., Wark, J. S., Willman, J. T., Wollenweber, L., Zastrau, U., Brambrink, E., Appel, K., and McMahon, M. I.

Abstract

X-ray free electron laser (XFEL) sources coupled to high-power laser systems offer an avenue to study the structural dynamics of materials at extreme pressures and temperatures. The recent commissioning of the DiPOLE 100-X laser on the high energy density (HED) instrument at the European XFEL represents the state-of-the-art in combining x-ray diffraction with laser compression, allowing for compressed materials to be probed in unprecedented detail. Here, we report quantitative structural measurements of molten Sn compressed to 85(5) GPa and ∼ 3500 K. The capabilities of the HED instrument enable liquid density measurements with an uncertainty of ∼ 1 % at conditions which are extremely challenging to reach via static compression methods. We discuss best practices for conducting liquid diffraction dynamic compression experiments and the necessary intensity corrections which allow for accurate quantitative analysis. We also provide a polyimide ablation pressure vs input laser energy for the DiPOLE 100-X drive laser which will serve future users of the HED instrument.

Published
2024

3. Studying the pressure scaling of flow stress in Ta using molecular dynamics simulations.

Author

McGonegle, D., Peake, D., Sandiford, C., and Turner, J.

Subjects
*MOLECULAR dynamics, *MODULUS of rigidity, *ELASTIC modulus, *MULTISCALE modeling, *SIMULATION methods & models
Abstract

Molecular dynamics forms a key simulation technique in used in the construction of multiscale strength models. We present molecular dynamics simulations of the isochoric deformation of single crystal tantalum using our in-house developed MEAM potential. We compare the pressure dependence of the calculated flow stress with that of the calculated elastic moduli and the predictions of a number of commonly used isotropic strength models, finding a close linear scaling with shear modulus. We also demonstrate the ability to track dislocation using the DISLOC LAMMPS module and use this technique to find the dislocation velocity distribution as a function of character angle in our simulation. [ABSTRACT FROM AUTHOR]

Published
2024
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4. Shock compression experiments using the DiPOLE 100-X laser on the high energy density instrument at the European x-ray free electron laser: Quantitative structural analysis of liquid Sn

Author

Gorman, M. G., primary, McGonegle, D., additional, Smith, R. F., additional, Singh, S., additional, Jenkins, T., additional, McWilliams, R. S., additional, Albertazzi, B., additional, Ali, S. J., additional, Antonelli, L., additional, Armstrong, M. R., additional, Baehtz, C., additional, Ball, O. B., additional, Banerjee, S., additional, Belonoshko, A. B., additional, Benuzzi-Mounaix, A., additional, Bolme, C. A., additional, Bouffetier, V., additional, Briggs, R., additional, Buakor, K., additional, Butcher, T., additional, Di Dio Cafiso, S., additional, Cerantola, V., additional, Chantel, J., additional, Di Cicco, A., additional, Clarke, S., additional, Coleman, A. L., additional, Collier, J., additional, Collins, G. W., additional, Comley, A. J., additional, Coppari, F., additional, Cowan, T. E., additional, Cristoforetti, G., additional, Cynn, H., additional, Descamps, A., additional, Dorchies, F., additional, Duff, M. J., additional, Dwivedi, A., additional, Edwards, C., additional, Eggert, J. H., additional, Errandonea, D., additional, Fiquet, G., additional, Galtier, E., additional, Laso Garcia, A., additional, Ginestet, H., additional, Gizzi, L., additional, Gleason, A., additional, Goede, S., additional, Gonzalez, J. M., additional, Harmand, M., additional, Hartley, N. J., additional, Heighway, P. G., additional, Hernandez-Gomez, C., additional, Higginbotham, A., additional, Höppner, H., additional, Husband, R. J., additional, Hutchinson, T. M., additional, Hwang, H., additional, Lazicki, A. E., additional, Keen, D. A., additional, Kim, J., additional, Koester, P., additional, Konopkova, Z., additional, Kraus, D., additional, Krygier, A., additional, Labate, L., additional, Lee, Y., additional, Liermann, H.-P., additional, Mason, P., additional, Masruri, M., additional, Massani, B., additional, McBride, E. E., additional, McGuire, C., additional, McHardy, J. D., additional, Merkel, S., additional, Morard, G., additional, Nagler, B., additional, Nakatsutsumi, M., additional, Nguyen-Cong, K., additional, Norton, A.-M., additional, Oleynik, I. I., additional, Otzen, C., additional, Ozaki, N., additional, Pandolfi, S., additional, Peake, D. J., additional, Pelka, A., additional, Pereira, K. A., additional, Phillips, J. P., additional, Prescher, C., additional, Preston, T. R., additional, Randolph, L., additional, Ranjan, D., additional, Ravasio, A., additional, Redmer, R., additional, Rips, J., additional, Santamaria-Perez, D., additional, Savage, D. J., additional, Schoelmerich, M., additional, Schwinkendorf, J.-P., additional, Smith, J., additional, Sollier, A., additional, Spear, J., additional, Spindloe, C., additional, Stevenson, M., additional, Strohm, C., additional, Suer, T.-A., additional, Tang, M., additional, Toncian, M., additional, Toncian, T., additional, Tracy, S. J., additional, Trapananti, A., additional, Tschentscher, T., additional, Tyldesley, M., additional, Vennari, C. E., additional, Vinci, T., additional, Vogel, S. C., additional, Volz, T. J., additional, Vorberger, J., additional, Walsh, J. P. S., additional, Wark, J. S., additional, Willman, J. T., additional, Wollenweber, L., additional, Zastrau, U., additional, Brambrink, E., additional, Appel, K., additional, and McMahon, M. I., additional

Published
2024
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5. Technology to improve reliable access to oxygen in Western Uganda: study protocol for a phased implementation trial in neonatal and paediatric wards

Author

Bagayana, S, Subhi, R, Moore, G, Mugerwa, J, Peake, D, Nakintu, E, Murokora, D, Rassool, R, Sklar, M, Graham, H, Sobott, B, Bagayana, S, Subhi, R, Moore, G, Mugerwa, J, Peake, D, Nakintu, E, Murokora, D, Rassool, R, Sklar, M, Graham, H, and Sobott, B

Abstract

INTRODUCTION: Oxygen is an essential medicine for children and adults. The current systems for its delivery can be expensive and unreliable in settings where oxygen is most needed. FREO2 Foundation Australia has developed an integrated oxygen system, driven by a mains-powered oxygen concentrator, with the ability to switch automatically between low-pressure oxygen storage device and cylinder oxygen in power interruptions. The aim of this study is to assess the clinical impact and cost-effectiveness of expanding this system to 20 community and district hospitals and level IV facilities in Western Uganda. METHODS AND ANALYSIS: This will be a phased implementation with preintervention and postintervention comparison of outcomes. Standardised baseline data collection and needs assessment will be conducted, followed by implementation of the FREO2 Oxygen System in combination with pulse oximetry in 1-2 facilities per month over a 16-month period, with a total 23-month data collection period. The primary outcome will be the proportion of hypoxaemic children receiving oxygen pre and post oxygen system. Secondary outcomes will assess clinical, economic and technical aspects. Pre and post oxygen system primary and secondary outcomes will be compared using regression models and standard tests of significance. Useability will be quantitatively and qualitatively evaluated in terms of acceptability, feasibility and appropriateness, using standardised implementation outcome measure tools. ETHICS AND DISSEMINATION: Ethics approval was obtained from Mbarara University of Science and Technology (MUREC 1/7) and the University of Melbourne (2021-14489-13654-2). Outcomes will be presented to the involved facilities, and to representatives of the Ministry of Health, Uganda. Broader dissemination will include publication in peer-reviewed journals and academic conference presentations. TRIAL REGISTRATION NUMBER: ACTRN12621000241831.

Published
2022

12. Technical results from a trial of the FREO2 Low-Pressure Oxygen Storage system, Mbarara Regional Referral Hospital, Uganda

Author

Patman, S, Peake, D, Black, J, Kumbakumba, E, Bagayana, S, Barigye, C, Moschovis, P, Muhumuza, I, Kiwanuka, F, Semata, P, Rassool, K, Sobott, B, Rassool, R, Patman, S, Peake, D, Black, J, Kumbakumba, E, Bagayana, S, Barigye, C, Moschovis, P, Muhumuza, I, Kiwanuka, F, Semata, P, Rassool, K, Sobott, B, and Rassool, R

Abstract

Increased access to reliable medical oxygen would reduce the global burden of pneumonia. Oxygen concentrators have been shown to be an effective solution, however they have significant drawbacks when used in low-resource environments where pneumonia burden is the heaviest. Low quality grid power can damage oxygen concentrators and blackouts can prevent at-risk patients from receiving continual oxygen therapy. Gaps in prescribed oxygen flow can result in acquired brain injuries, extended hypoxemia and death. The FREO2 Low-Pressure Oxygen Storage (LPOS) system consists of a suite of improvements to a standard oxygen concentrator which address these limitations. This study reports the technical results of a field trial of the system in Mbarara, Uganda. During this trial, oxygen supplied from the LPOS system was distributed to four beds in the paediatric ward of Mbarara Regional Referral Hospital. Over a three-month period, medical-grade oxygen was made available to patients 100% of the time. This period was sufficient to quantify the ability of the LPOS system to deal with blackouts, maintenance, and an unscheduled repair to the LPOS store.

Published
2021

13. Management of children with Guillain-Barre syndrome

Author

Agrawal, S., Peake, D., and Whitehouse, W. P.

Subjects
Guillain-Barre syndrome -- Diagnosis, Guillain-Barre syndrome -- Development and progression, Guillain-Barre syndrome -- Care and treatment, Guillain-Barre syndrome -- Prognosis, Diagnosis, Differential -- Methods, Immunotherapy -- Usage, Pain -- Care and treatment, Pain -- Drug therapy
Published
2007

30. Selected abstracts

Author

Corkery, P. P., Leek, B. F., Caulfield, B., Garrett, M., Gormley, J. P., OʼDonnell, P. M., Kennedy, N., Sayers, K., Stokes, E., Bresnihan, B., Fitzgerald, O., McGarvey, M. A., Tonra, M., Hooper, A. C. B., Barry, J., Maurer, B., Hussey, J., Gormley, J., Noble, J. G., Alves-Guerreiro, J., Lowe, A. S., Walsh, D. M., NicNiocaill, B., Harte, M., OʼConnor, W. T., OʼHara, A. M., Orren, A., Moran, A. P., Hardiman, D. A., Lee, T. C., Croke, D. T., Tolan, R., McBennett, S., Warmington, S., McGuire, M., Bradford, A., OʼHare, T., MacDermott, M., Lynch, F., OʼRegan, R. G., McLoughlin, P., Quinn, T., Ryan, J. P., Pickering, M., Campion, D. P., Jones, J. F. X., Ryan, S., McNicholas, W. T., Nolan, P., Doyle, F. J., Rackard, S. M., Beddy, P., Campbell, V. A., Bakhle, Y. S., Bell, C., Usher, C., Chan, L., Keenan, A. K., McQuaid, K. E., Cullen, V. C., Smith, E. M., Kelly, A., Lynch, M. A., Freir, D. B., Holscher, C., Herron, C. E., Pearson, H. A., Curran, B. P., OʼConnor, J. J., Quinn, A., McHale, J., Moriarty, D., OʼConnor, J., Glennon, J. C., Van Vliet, B. J., Long, S. K., Kruse, C., Gallagher, H. C., Bacon, C. L., Boland, B., Griffin, A. M., Preisler, J., OʼBrien, L., Regan, C. M., Hurley, S., Kearney, P. J., Slevin, J., Barry-Kinsella, C., Ryan, C. A., Kllleen, O., Glllan, J., Clarke, T., Matthews, T., Corcoran, D., Dunn, E., Geary, M., OʼHerlihy, C., Keane, D., OʼLeary, M. J., Morrison, J. J., Ryan, E., Gorman, W. A., Bourke, A., Larkin, J., Mayes, C., Jenkins, J., Ryan, M., Lalchandani, S., Sheil, O., Lynch, N., Costigan, C., Murphy, J. F., Bhatia, R., Foran, A., Donohue, V., McParland, P., LaSjaunais, P., Rodesch, G., McGinn, M., McAloon, J., OʼLeary, M., Astbury, K., Harmon, D., Sharkey, A., Gaffney, G., OʼRegan, G., McMahon, C., Murray, D., McDermott, C., Woolhead, E., Gillan, J., Cartmill, J. L., Harper, M. A., Al-Shabibi, N., Hanahoe, M., Wingfield, M., Larkin, J. A. M., Bell, A. H., McClure, B. G., Sweeney, L., Martin, D. H., OʼDonoghue, P., Davoren, A., Lucas, G. F., McKiernan, J., Gallagher, D. M. T., Dunne, K. P., Fulena, O., Sheridan, M., Griffin, E., White, M., Deasy, P., OʼRiordan, M., OʼGorman, C., Mongan, C., McCafferkey, M., Henry, G., McKenna, P., OʼMalley, A., Devaney, D., Kelleghan, P., Mooney, E. E., Gillan, J. E., Fitzpatrick, M., McQuillan, K., Heffron, C., Hodnett, P., Curtain, A., OʼConnor, T. C. F., Connell, T. G., Waldron, D., Gorman, W., Bolger, T., OʼKeefe, M., Murphy, J., Dolan, L. M., Traub, A. I., Slattery, M. M., Curley, A. E., Halliday, H. L., Tubman, T. R. J., Kileen, O., Riadha, H., Russell, J., Philips, R., Regan, C., Ali, I., Coughlan, A. C. J., Turner, M. J., Smith, A., OʼFlanagan, D., Igoe, D., Ryan, F., Forde, D., McArdle, E., Ko, D., Bedford, D., Hegarty, M., Dunlevy, B., Corcoran, R., Holohan, T., Feeney, A., McGee, H., Shannon, W., Condon, M., Hyland, C., Sayers, G., Feely, E., Crowley, D., OʼReilly, D., OʼConnell, T., Cronin, M., Johnson, H., Fitzgeraldi, M., Cafferkey, M., Breslin, A., Bonner, C. J., Foley, B., Fitzgerald, M., Wall, P. G., McNamara, E., Costigan, P., Prendergast, T., Foye, K., Cosgrove, C., Keane, A., Murphy, E., OʼDonnell, J., Quinlan, A., Thornton, L., Roch, E. A., Lyons, R. A., Maddocks, A., Barnes, P., Price, L., McCabe, M., Nash, P., Midha, A., Doyle, Y., Kilgallen, A., Wright, P., Ryan, T., De La Harpe, D., Harkins, V., Brennan, C., OʼConnell, V., Evans, D. S., Mhuircheartaigh, Ni J., OʼDonnell, J. M., Rhatigan, A., Shelley, E., Collins, C., Byrne, M., Murphy, A. W., Plunkett, P. K., Murray, A., Bury, G., Lynam, F., McMahon, G., Greally, T., Kane, D., Veale, D., Reece, R., Busteed, S., Bennett, M. W., Stone, M., Molloy, C., OʼConnell, J., Molloy, M. G., Shanahan, F., Guerin, J., Casey, E., Feighery, C., Lin, F., Jackson, J., Pendleton, A., Wright, G. D., Hughes, A. E., OʼGradaigh, D., Debham, I., Compston, J., McEvoy, A., Murphy, E. P., Salonen, D., Payne, P., Lax, M., Lapp, V., Inman, R., OʼRourke, K., Brennan, D., Harty, J., McCarthy, C., OʼByrne, J., Eustace, S., Chirayath, H., Liggett, N. W., Morgan, M. P., Fitzgerald, D. J., McCarthy, C. J., McCarthy, G. M., Lee, R. Z., Wai, K., Nevin, D., Leary, A. O., Lee, R., Casey, E. B., OʼLeary, A., Breen, D., Tuite, D., McInerney, D., Sim, R., Frederic, A. L., Smith, O., White, B., Murphy, M., Silke, C., OʼKeeffe, E., Fanning, N., Spence, L., Parfrey, N. A., McConnell, J. R., Crockard, A. D., Cairns, A. P., Bell, A. L., Kavanagh, O., Moyes, D. A., Finch, M., Rooney, M., Bell, A., Founas, I., El-Magbri, A., Mooney, S., Kennedy, M., Coughlan, R. J., Ramakrishnan, S. A., Gsel, A., Finnerty, O., Burns, M., Yateman, M., Camaco-Hubner, C., Matthews, C. F., Taggart, A., Fuller, K., Murphy, M. S., Phelan, M., Murphy, T. B., Wynne, F., Quane, K., Daly, M., OʼLeary, J., da Silva, I., Bermingham, N., Gogarty, M., Gallagher, L. P., OʼHara, R., Godson, C., Brady, H., Osman, H., El-Rafie, A., Foley-Nolan, D., Kirwan, P., Corcoran, O., Duffy, T., Drummond, F., Madigan, A., Williams, D., Gallagher, P., Hatton, C., Cunningham, S., FitzGerald, O., Minnock, P., Wylie, E., Egan, D., Mc Cormack, J., Shea, M. O., Evans, D., OʼLorcain, P., Comber, H., Evans, A., Jones, J., Garavan, C., Kelleher, K., Boland, M. C., Healy, R., OʼSullivan, M. B., Burke, M., Mc Donald, P., Smithson, R., Glass, J., Mason, C. A., Mullins, N., Nolan, D., McCormick, P., Coughlan, S., Dooley, S., Kelleher, C. C., Hope, A., Murphy, F., Barry, M., Sixsmith, J., MacFarlane, A., MacLeod, C., McElroy, G., OʼLoan, D., Kennedy, F., Kerr, R. M., Lim, J., Allwright, S. P. A., Bradley, F. L., Barry, J. M. G., Long, J., Parry, J. V., Creagh, D., Perry, I. J., Collins, A., Neilson, S., Colwell, N., OʼHalloran, D., OʼNeill, S., McErlain, S., Okasha, M., Gaffney, B., McCarron, P., Hinchion, R., Drew, C., Gavin, A., Fitzpatrick, D., Campbell, R., Wannamethee, S. G., Shaper, A., Friel, S., Kelleher, C., Kee, F., Atterson, C. C., Wilson, E. A., McConnell, J. M., Wheeler, S. M., Watson, J. D., Rahman, Norashikin N., Sheehan, J., Wall, C., Kelleher, B., OʼBroin, S. D., Mullan, R. N., McKeveney, P. J., Hodges, V. M., Winter, P. C., Maxwell, P., Simpson, D. A., Lappin, T. R. J., Maxwell, A. P., Eustace, J. A., Coresh, J., Kutchey, C., Te, P. L., Gimenez, L. F., Scheel, P. J., Walser, M., McMahon, R. A., Clarkson, M., Martin, F., Brady, H. R., Blake, C., OʼMeara, Y. M., Gupta, S., MacKenzie, H., Doyle, S., Fotheringham, T., Haslam, P., Logan, M. P., Conlon, P., Lee, M., Maderna, P., Cottell, D. C., Mitchell, S., Gulmann, C., Østerby, R., Bangstad, H. J., Rljdberg, S., Dempsey, M., Nathwani, S., Ryan, M. P., McMahon, B., Stenson, C., Murtagh, H., Brown, J. H., Doran, P., McGinty, A., Little, M. A., OʼBrien, E., Owens, P., Holian, J., Mee, F., Walshe, J. J., Omer, S. A., Power, D., Diamond, P., Watson, R. W., Shahsafei, A., Jiang, T., Brenner, B. M., Mackenzie, H. S., Neary, J., Dorman, A., Keoghan, M., Campbell, E., Walshe, J., Little, M., Nee, L., OʼCeallaigh, C., McGlynn, H., Bergin, E., Keane, T., Gormley, G., Watson, A., Atta, M. G., Perl, T. M., Song, X., Healy, E., Leonard, M., Lynch, J., Watson, A. J., Lappin, D., Lappin, D. W. P., Hannan, K., Burne, M., Daniels, F., Rabb, H., McBride, B., Kieran, N., Shortt, C., Codd, M., Murray, F., McCormack, A., Brown, C., Wong, C., Dorman, A. M., Keogan, M., Donohue, J., Farrell, J., Donohoe, J., OʼBroin, S., Balfe, A., Mellotte, G. J., Abraham, K. A., McGorrian, C., Wood, A. E., Neligan, M., Kelly, B. D., Finnegan, P., Cormican, M., Callaghan, J., Crean, J. K. G., Moffitt, T. A., Devlin, H. L., Garrett, P. J., Soosay, A., OʼNeill, D., Counihan, A., Hickey, D., Keogan, M. T., Harvey, K., OʼRiordan, E., Waldek, S., Kalra, P. A., OʼDonoghue, D. J., Foley, R. N., Kelliher, D., Mellotte, G., Giblin, L., Keogh, J. A. B., OʼConnell, M., OʼMeara, A., Breatnach, F., Gillick, J., Tazawa, H., Puri, P., Molloy, E., OʼNeill, A. J., Sheridan-Pereira, M., Fitzpatrick, J. M., Webb, D. W., Watson, R. W. G., Linnane, B., OʼDonnell, C., Clarke, T. A., Martin, C., McKay, M., McBrien, J., Glynn, F., OʼDonovan, C., Hall, W. W., Smith, J., Khair, K., Liesner, R., Hann, I. M., Smith, O. P., Gallagher, S., Mahony, M. J., Hilal, A., Cosgrove, J. F., Monaghan, C., Craig, B., Walsh, K., Duff, D., Slizlok, P. O., Halahakoon, C., McMillan, S., Dalzell, E. E., McCaughan, J., Redmond, A. O. B., DeCaluwe, D., Yoneda, A., Akl, U., Dempsey, E., Farrell, M., Webb, D., Elabbas, A., Fox, G., Gormally, S., Grant, B., Corkey, C. W. B., Nicholson, A., Murphy, A., OʼGrady, P., Barry, O., Stewart, M. C., Alderdice, F., Matthews, T. G., McDonnell, M., McGarvey, C., OʼRegan, M., Chróinín, Ní M., Tormey, P., Ennis, S., Green, A. J., Abbas, S., OʼMarcaigh, A., Conran, M., Crushell, E., Saidi, A., Curran, P., Donoghue, V., King, M. D., Elnazir, B., Leonard, J., Kavanagh, C., Brown, D., Corrigan, N., McCord, B., Quinn, M., OʼConnell, L., Mcdonagh, B., Awan, A., Gill, D., Kakkar, R., Warner, J. A., OʼConnor, C., Herzig, M., Twomey, A., White, M. J., Sweeney, B., Surana, R., Hodgson, A., Rafferty, M., Livingstone, W., Peake, D., Wassemer, E., Whitehouse, W., Abdullah, N., Al-Hassan, A., Oslizlok, P., OʼConnell, N., Balding, J., Livingstone, W. J., Healy, M., Mynett-Johnson, L., McAllister, I., Dick, A. C., Herron, B., Boston, V. E., Callaghan, C. O., Brien, D. O., Walsh, A., Philip, M., McShane, D., Hoey, M. C. V., Sharif, F., McDermott, M., Dillon, M., Drumm, B., Rowland, M., Imrie, C., Kelleher, S., Bourke, B., Iqbal, M., Ziedan, Y., OʼNeill, M., OʼRiordan, S., Basheer, S. M. B., OʼCallaghan, S., Chong, A., Kelly, M., Nicholson, A. J., Cooke, R., Sreenan, C., Fallon, M., Denham, B., Dowding, V., Cussen, G., McManus, V., Hensey, O., Monaghan, H., Basheer, S. N., Quinn, E., Hoey, H. M. C. V., Mohamed, S., Ramesh, R. R., Mayne, P., Tracy, E., Gormally, S. M., Curtis, E., McCallion, N., Watson, R., OʼMahony, O., Keegan, M., Ward, K., Barton, D., Poulton, J., Treacy, E., Honour, J., deCaluwe, D., Chróinín, Ni M., Cosgrove, J., Chaudhry, T. S., Long, N. M., Lynch, B., Lasjaunais, P., McDonald, D. G. M., McMenamin, J. B., Farrell, M. J., Roche, E. F., Menon, A., Buckley, C., Mackey, A., Ohlandieck, K., Das, A., Reilly, D., Killeen, O., Harper, J., Roche, E., Hoey, H., Caird, J., OʼBrien, D., Allcutt, D., Farrington, N., Murphy, J. F. A., Savage, J. M., Sands, A. J., Casey, F. A., Craig, B. G., Dornan, J. C., Johnston, J., Patterson, C., Lynch, C., Mulholland, H. C., Watkins, D. C., Young, I., Cran, G., Boreham, C. A. G., McCallion, W. A., Clements, N. F., Stevenson, M. R., Macpherson, C., Jenkins, L., Thompson, A. J., Shields, M. D., Taylor, R. T., Kerr, R., Hughes, J. L., Stewart, M., Jackson, P., Fitzpatrick, C., Rasheed, M., Colhoun, E., Bailie, A. G., Gray, S., Brown, S., Curley, A., Sweet, D. G., MacMahon, K. J., OʼConnor, C. M., Nichelson, A., Lynch, N. E., Finch, D., Foley, M., Scallan, E., Dillon, B., Lyons, S., OʼLoughlin, R., Ward, M., Nally, R., Harkin, A., Kelly, J. P., Leonard, B. E., Magee, P., Connor, T. J., Shen, Y., McCullough, G. R., McDonough, S. M., Niocaill, Nic B., Cramp, A. F. L., Hynes, M., Corkery, P., Carey, M., McGarrigle, D., Higgins, S., Murray, H., Moran, C. J., Dennedy, M. C., Brosnan, J., Morris, L., Sheppard, B. L., Black, A., Wilkins, B., Folan-Curran, J., Skelton, K., Owens, M., Nemeroff, C., Houlihan, D., OʼKeeffe, C., Nolan, N., McCormick, P. A., Baird, A. W., Raducan, I., Corcoran, P., Brennan, R., Molloy, P., Friel, A., Maher, M., Glennon, M., Smith, T., Nolan, A., Houghton, J. A., Carroll, O., Colleran, S., OʼCuinn, G., Snow, H. M., OʼRegan, D., Markos, H. F., Pollock, K., Cannon, D. M., McBean, G., OʼRiordan, A., Quinlan, L. R., Kane, M. T., Higglns, B. D., Moriarty, D. M., Fitzgerald, D., Katkada, A., Canny, G., MacMathuna, P., OʼDonoghue, D., OʼDonovan, M. M., Schuur, A. G., Murphy, K. J., Foley, A. G., ten Bruggencate, S. J. M., and Ireland, L.

Published
2000
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32. Examining Lower Limb Injuries among Male Amateur Soccer Players

Author

Peake D, Lam Mhs, Stuart W. Flint, Lei Y, Tung K, Lee Ky, and Man Dp

Subjects
Sports injury, biology, Multimedia, Athletes, business.industry, Applied psychology, 030229 sport sciences, biology.organism_classification, computer.software_genre, Occupational safety and health, Lower limb, 03 medical and health sciences, 0302 clinical medicine, Medicine, 030212 general & internal medicine, business, computer, Amateur, human activities, Public awareness
Abstract

Amateur players far outnumbered professional athletes, but they are often under shadowed in literatures. Unlike professional athletes, amateur players may not possess the resources, knowledge or guidance in treating sports injuries. Soccer is one of the popular sports with fewer literatures addressing amateur players. Quantitative method was used for data collection and analysis. The practical contribution of this study lies in terms of the exploring of risks factors leading to lower limb injuries, most common type and area of injuries faced by amateur soccer players in contrast with professional players. Preventive measures were also discussed. The implications of these findings are valuable to coaches, physical therapists and governments for understanding amateur players and arouse public awareness on health and safety.

Published
2017

34. Correspondence

Author

Breach, A. C. E., Rowe, J. B. Wrathall, Peake, D. E., Murley, R. S., Russell, A. Victor, Langley, B., Hardy, K. W., and Pembleton, J. Tudor

Published
1953

35. Correspondence

Author

Witts, L. J., Shippam, Everell M., Thomas, Stanley, Peake, D. E., Jacob, L. G., Cronhelm, H. J., Davies, G. L., and Lunt, Randle

Published
1955

36. Correspondence

Author

Peake, D. E. and Samuel, H. S.

Published
1955

38. Correspondence

Author

Glaisher, C., Burns, B., Bailey, J. Shackleton, Wyllie, B. W., Calnan, W. L., Gilchrist, T. R., Peake, D. E., Herd, David A., and Learoyd, C. G.

Published
1957

40. Practice Expenses

Author

Handfield-Jones, R. P. C., Malimson, N. S., Klass, I., Kelly, J., Scott, W. Jeffrey C., Gee, A., Peake, D. E., Taylor, Bernard, Russell, T., and McQuitty, G. D. H.

Published
1964

42. Treatment For The Economy

Author

Turnbull, John, Bach, Herbert E., Peake, D. E., Pratap, H. J., Forrest, J. A., Jensen, P., Anderson, Maurice, Lewsen, S. Charles, Thornton, L. S. H., Mason, H. M., and Johnman, L.

Published
1966

43. Harmonizing lipidomics: NIST interlaboratory comparison exercise for lipidomics using SRM 1950-Metabolites in Frozen Human Plasma

Author

Bowden, JA, Heckert, A, Ulmer, CZ, Jones, CM, Koelmel, JP, Abdullah, L, Ahonen, L, Alnouti, Y, Armando, AM, Asara, JM, Bamba, T, Barr, JR, Bergquist, J, Borchers, CH, Brandsma, J, Breitkopf, SB, Cajka, T, Cazenave-Gassiot, A, Checa, A, Cinel, MA, Colas, RA, Cremers, S, Dennis, EA, Evans, JE, Fauland, A, Fiehn, O, Gardner, MS, Garrett, TJ, Gotlinger, KH, Han, J, Huang, Y, Neo, AH, Hyotylainen, T, Izumi, Y, Jiang, H, Jiang, J, Kachman, M, Kiyonami, R, Klavins, K, Klose, C, Kofeler, HC, Kolmert, J, Koal, T, Koster, G, Kuklenyik, Z, Kurland, IJ, Leadley, M, Lin, K, Maddipati, KR, McDougall, D, Meikle, PJ, Mellett, NA, Monnin, C, Moseley, MA, Nandakumar, R, Oresic, M, Patterson, R, Peake, D, Pierce, JS, Post, M, Postle, AD, Pugh, R, Qiu, Y, Quehenberger, O, Ramrup, P, Rees, J, Rembiesa, B, Reynaud, D, Roth, MR, Sales, S, Schuhmann, K, Schwartzman, ML, Serhan, CN, Shevchenko, A, Somerville, SE, John-Williams, LS, Surma, MA, Takeda, H, Thakare, R, Thompson, JW, Torta, F, Triebl, A, Troetzmueller, M, Ubhayasekera, SJK, Vuckovic, D, Weir, JM, Welti, R, Wenk, MR, Wheelock, CE, Yao, L, Yuan, M, Zhao, XH, Zhou, S, Bowden, JA, Heckert, A, Ulmer, CZ, Jones, CM, Koelmel, JP, Abdullah, L, Ahonen, L, Alnouti, Y, Armando, AM, Asara, JM, Bamba, T, Barr, JR, Bergquist, J, Borchers, CH, Brandsma, J, Breitkopf, SB, Cajka, T, Cazenave-Gassiot, A, Checa, A, Cinel, MA, Colas, RA, Cremers, S, Dennis, EA, Evans, JE, Fauland, A, Fiehn, O, Gardner, MS, Garrett, TJ, Gotlinger, KH, Han, J, Huang, Y, Neo, AH, Hyotylainen, T, Izumi, Y, Jiang, H, Jiang, J, Kachman, M, Kiyonami, R, Klavins, K, Klose, C, Kofeler, HC, Kolmert, J, Koal, T, Koster, G, Kuklenyik, Z, Kurland, IJ, Leadley, M, Lin, K, Maddipati, KR, McDougall, D, Meikle, PJ, Mellett, NA, Monnin, C, Moseley, MA, Nandakumar, R, Oresic, M, Patterson, R, Peake, D, Pierce, JS, Post, M, Postle, AD, Pugh, R, Qiu, Y, Quehenberger, O, Ramrup, P, Rees, J, Rembiesa, B, Reynaud, D, Roth, MR, Sales, S, Schuhmann, K, Schwartzman, ML, Serhan, CN, Shevchenko, A, Somerville, SE, John-Williams, LS, Surma, MA, Takeda, H, Thakare, R, Thompson, JW, Torta, F, Triebl, A, Troetzmueller, M, Ubhayasekera, SJK, Vuckovic, D, Weir, JM, Welti, R, Wenk, MR, Wheelock, CE, Yao, L, Yuan, M, Zhao, XH, and Zhou, S

Abstract

As the lipidomics field continues to advance, self-evaluation within the community is critical. Here, we performed an interlaboratory comparison exercise for lipidomics using Standard Reference Material (SRM) 1950-Metabolites in Frozen Human Plasma, a commercially available reference material. The interlaboratory study comprised 31 diverse laboratories, with each laboratory using a different lipidomics workflow. A total of 1,527 unique lipids were measured across all laboratories and consensus location estimates and associated uncertainties were determined for 339 of these lipids measured at the sum composition level by five or more participating laboratories. These evaluated lipids detected in SRM 1950 serve as community-wide benchmarks for intra- and interlaboratory quality control and method validation. These analyses were performed using nonstandardized laboratory-independent workflows. The consensus locations were also compared with a previous examination of SRM 1950 by the LIPID MAPS consortium. While the central theme of the interlaboratory study was to provide values to help harmonize lipids, lipid mediators, and precursor measurements across the community, it was also initiated to stimulate a discussion regarding areas in need of improvement.

Published
2017

44. Examining Lower Limb Injuries among Male Amateur Soccer Player

Author

Lam, MHS, Tung, K, Man, DP, Lee, KY, Lei, Y, Flint, SW, Peake, D, Lam, MHS, Tung, K, Man, DP, Lee, KY, Lei, Y, Flint, SW, and Peake, D

Abstract

Amateur players far outnumbered professional athletes, but they are often under shadowed in literatures. Unlike professional athletes, amateur players may not possess the resources, knowledge or guidance in treating sports injuries. Soccer is one of the popular sports with fewer literatures addressing amateur players. Quantitative method was used for data collection and analysis. The practical contribution of this study lies in terms of the exploring of risks factors leading to lower limb injuries, most common type and area of injuries faced by amateur soccer players in contrast with professional players. Preventive measures were also discussed. The implications of these findings are valuable to coaches, physical therapists and governments for understanding amateur players and arouse public awareness on health and safety.

Published
2017

45. Vortex Trial: A Randomized Controlled Multicenter Phase 3 Trial of Volume of Postoperative Radiation Therapy Given to Adult Patients With Extremity Soft Tissue Sarcoma (STS)

Author

Robinson, M.H., primary, Gaunt, P., additional, Grimer, R., additional, Seddon, B., additional, Wylie, J., additional, Davis, A., additional, Hughes, D., additional, Peake, D., additional, Cassoni, A., additional, Spooner, D., additional, Miah, A., additional, Hughes, A., additional, West, C.M.L., additional, Venables, K., additional, and Billingham, L., additional

Published
2016
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47. Ewing’s sarcoma

Author

Albergo, J. I., primary, Gaston, C. L., additional, Laitinen, M., additional, Darbyshire, A., additional, Jeys, L. M., additional, Sumathi, V., additional, Parry, M., additional, Peake, D., additional, Carter, S. R., additional, Tillman, R., additional, Abudu, A. T., additional, and Grimer, R. J., additional

Published
2016
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48. Biomarker Discovery Using New Metabolomics Software for Automated Processing of High Resolution LC-MS Data

Author

Hnatyshyn, S., Reily, M., Shipkova, P., McClure, T., Sanders, M., and Peake, D.

Subjects
Poster Session Abstracts
Abstract

Robust biomarkers of target engagement and efficacy are required in different stages of drug discovery. Liquid chromatography coupled to high resolution mass spectrometry provides sensitivity, accuracy and wide dynamic range required for identification of endogenous metabolites in biological matrices. LCMS is widely-used tool for biomarker identification and validation. Typical high resolution LCMS profiles from biological samples may contain greater than a million mass spectral peaks corresponding to several thousand endogenous metabolites. Reduction of the total number of peaks, component identification and statistical comparison across sample groups remains to be a difficult and time consuming challenge. Blood samples from four groups of rats (male vs. female, fully satiated and food deprived) were analyzed using high resolution accurate mass (HRAM) LCMS. All samples were separated using a 15 minute reversed-phase C18 LC gradient and analyzed in both positive and negative ion modes. Data was acquired using 15K resolution and 5ppm mass measurement accuracy. The entire data set was analyzed using software developed in collaboration between Bristol Meyers Squibb and Thermo Fisher Scientific to determine the metabolic effects of food deprivation on rats. Metabolomic LC-MS data files are extraordinarily complex and appropriate reduction of the number of spectral peaks via identification of related peaks and background removal is essential. A single component such as hippuric acid generates more than 20 related peaks including isotopic clusters, adducts and dimers. Plasma and urine may contain 500-1500 unique quantifiable metabolites. Noise filtering approaches including blank subtraction were used to reduce the number of irrelevant peaks. By grouping related signals such as isotopic peaks and alkali adducts, data processing was greatly simplified by reducing the total number of components by 10-fold. The software processes 48 samples in under 60minutes. Principle Component Analysis showed substantial differences in endogenous metabolites levels between the animal groups. Annotation of components was accomplished via searching the ChemSpider database. Tentative assignments made using accurate mass need further verification by comparison with the retention time of authentic standards.

Published
2011

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