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The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

Covering: up to 2018 With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, an...

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Autores principales: McAlpine, James B., Chen, Shao-Nong, Kutateladze, Andrei, MacMillan, John B., Appendino, Giovanni, Barison, Andersson, Beniddir, Mehdi A., Biavatti, Maique W., Bluml, Stefan, Boufridi, Asmaa, Butler, Mark S., Capon, Robert J., Choi, Young H., Coppage, David, Crews, Phillip, Crimmins, Michael T., Csete, Marie, Dewapriya, Pradeep, Egan, Joseph M., Garson, Mary J., Genta-Jouve, Grégory, Gerwick, William H., Gross, Harald, Harper, Mary Kay, Hermanto, Precilia, Hook, James M., Hunter, Luke, Jeannerat, Damien, Ji, Nai-Yun, Johnson, Tyler A., Kingston, David G. I., Koshino, Hiroyuki, Lee, Hsiau-Wei, Lewin, Guy, Li, Jie, Linington, Roger G., Liu, Miaomiao, McPhail, Kerry L., Molinski, Tadeusz F., Moore, Bradley S., Nam, Joo-Won, Neupane, Ram P., Niemitz, Matthias, Nuzillard, Jean-Marc, Oberlies, Nicholas H., Ocampos, Fernanda M. M., Pan, Guohui, Quinn, Ronald J., Reddy, D. Sai, Renault, Jean-Hugues, Rivera-Chávez, José, Robien, Wolfgang, Saunders, Carla M., Schmidt, Thomas J., Seger, Christoph, Shen, Ben, Steinbeck, Christoph, Stuppner, Hermann, Sturm, Sonja, Taglialatela-Scafati, Orazio, Tantillo, Dean J., Verpoorte, Robert, Wang, Bin-Gui, Williams, Craig M., Williams, Philip G., Wist, Julien, Yue, Jian-Min, Zhang, Chen, Xu, Zhengren, Simmler, Charlotte, Lankin, David C., Bisson, Jonathan, Pauli, Guido F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6350634/
https://www.ncbi.nlm.nih.gov/pubmed/30003207
http://dx.doi.org/10.1039/c7np00064b
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author McAlpine, James B.
Chen, Shao-Nong
Kutateladze, Andrei
MacMillan, John B.
Appendino, Giovanni
Barison, Andersson
Beniddir, Mehdi A.
Biavatti, Maique W.
Bluml, Stefan
Boufridi, Asmaa
Butler, Mark S.
Capon, Robert J.
Choi, Young H.
Coppage, David
Crews, Phillip
Crimmins, Michael T.
Csete, Marie
Dewapriya, Pradeep
Egan, Joseph M.
Garson, Mary J.
Genta-Jouve, Grégory
Gerwick, William H.
Gross, Harald
Harper, Mary Kay
Hermanto, Precilia
Hook, James M.
Hunter, Luke
Jeannerat, Damien
Ji, Nai-Yun
Johnson, Tyler A.
Kingston, David G. I.
Koshino, Hiroyuki
Lee, Hsiau-Wei
Lewin, Guy
Li, Jie
Linington, Roger G.
Liu, Miaomiao
McPhail, Kerry L.
Molinski, Tadeusz F.
Moore, Bradley S.
Nam, Joo-Won
Neupane, Ram P.
Niemitz, Matthias
Nuzillard, Jean-Marc
Oberlies, Nicholas H.
Ocampos, Fernanda M. M.
Pan, Guohui
Quinn, Ronald J.
Reddy, D. Sai
Renault, Jean-Hugues
Rivera-Chávez, José
Robien, Wolfgang
Saunders, Carla M.
Schmidt, Thomas J.
Seger, Christoph
Shen, Ben
Steinbeck, Christoph
Stuppner, Hermann
Sturm, Sonja
Taglialatela-Scafati, Orazio
Tantillo, Dean J.
Verpoorte, Robert
Wang, Bin-Gui
Williams, Craig M.
Williams, Philip G.
Wist, Julien
Yue, Jian-Min
Zhang, Chen
Xu, Zhengren
Simmler, Charlotte
Lankin, David C.
Bisson, Jonathan
Pauli, Guido F.
author_facet McAlpine, James B.
Chen, Shao-Nong
Kutateladze, Andrei
MacMillan, John B.
Appendino, Giovanni
Barison, Andersson
Beniddir, Mehdi A.
Biavatti, Maique W.
Bluml, Stefan
Boufridi, Asmaa
Butler, Mark S.
Capon, Robert J.
Choi, Young H.
Coppage, David
Crews, Phillip
Crimmins, Michael T.
Csete, Marie
Dewapriya, Pradeep
Egan, Joseph M.
Garson, Mary J.
Genta-Jouve, Grégory
Gerwick, William H.
Gross, Harald
Harper, Mary Kay
Hermanto, Precilia
Hook, James M.
Hunter, Luke
Jeannerat, Damien
Ji, Nai-Yun
Johnson, Tyler A.
Kingston, David G. I.
Koshino, Hiroyuki
Lee, Hsiau-Wei
Lewin, Guy
Li, Jie
Linington, Roger G.
Liu, Miaomiao
McPhail, Kerry L.
Molinski, Tadeusz F.
Moore, Bradley S.
Nam, Joo-Won
Neupane, Ram P.
Niemitz, Matthias
Nuzillard, Jean-Marc
Oberlies, Nicholas H.
Ocampos, Fernanda M. M.
Pan, Guohui
Quinn, Ronald J.
Reddy, D. Sai
Renault, Jean-Hugues
Rivera-Chávez, José
Robien, Wolfgang
Saunders, Carla M.
Schmidt, Thomas J.
Seger, Christoph
Shen, Ben
Steinbeck, Christoph
Stuppner, Hermann
Sturm, Sonja
Taglialatela-Scafati, Orazio
Tantillo, Dean J.
Verpoorte, Robert
Wang, Bin-Gui
Williams, Craig M.
Williams, Philip G.
Wist, Julien
Yue, Jian-Min
Zhang, Chen
Xu, Zhengren
Simmler, Charlotte
Lankin, David C.
Bisson, Jonathan
Pauli, Guido F.
author_sort McAlpine, James B.
collection PubMed
description Covering: up to 2018 With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields.
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spelling pubmed-63506342019-02-15 The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research McAlpine, James B. Chen, Shao-Nong Kutateladze, Andrei MacMillan, John B. Appendino, Giovanni Barison, Andersson Beniddir, Mehdi A. Biavatti, Maique W. Bluml, Stefan Boufridi, Asmaa Butler, Mark S. Capon, Robert J. Choi, Young H. Coppage, David Crews, Phillip Crimmins, Michael T. Csete, Marie Dewapriya, Pradeep Egan, Joseph M. Garson, Mary J. Genta-Jouve, Grégory Gerwick, William H. Gross, Harald Harper, Mary Kay Hermanto, Precilia Hook, James M. Hunter, Luke Jeannerat, Damien Ji, Nai-Yun Johnson, Tyler A. Kingston, David G. I. Koshino, Hiroyuki Lee, Hsiau-Wei Lewin, Guy Li, Jie Linington, Roger G. Liu, Miaomiao McPhail, Kerry L. Molinski, Tadeusz F. Moore, Bradley S. Nam, Joo-Won Neupane, Ram P. Niemitz, Matthias Nuzillard, Jean-Marc Oberlies, Nicholas H. Ocampos, Fernanda M. M. Pan, Guohui Quinn, Ronald J. Reddy, D. Sai Renault, Jean-Hugues Rivera-Chávez, José Robien, Wolfgang Saunders, Carla M. Schmidt, Thomas J. Seger, Christoph Shen, Ben Steinbeck, Christoph Stuppner, Hermann Sturm, Sonja Taglialatela-Scafati, Orazio Tantillo, Dean J. Verpoorte, Robert Wang, Bin-Gui Williams, Craig M. Williams, Philip G. Wist, Julien Yue, Jian-Min Zhang, Chen Xu, Zhengren Simmler, Charlotte Lankin, David C. Bisson, Jonathan Pauli, Guido F. Nat Prod Rep Chemistry Covering: up to 2018 With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields. Royal Society of Chemistry 2019-01-01 2018-07-13 /pmc/articles/PMC6350634/ /pubmed/30003207 http://dx.doi.org/10.1039/c7np00064b Text en This journal is © The Royal Society of Chemistry 2019 https://creativecommons.org/licenses/by/3.0/This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0)
spellingShingle Chemistry
McAlpine, James B.
Chen, Shao-Nong
Kutateladze, Andrei
MacMillan, John B.
Appendino, Giovanni
Barison, Andersson
Beniddir, Mehdi A.
Biavatti, Maique W.
Bluml, Stefan
Boufridi, Asmaa
Butler, Mark S.
Capon, Robert J.
Choi, Young H.
Coppage, David
Crews, Phillip
Crimmins, Michael T.
Csete, Marie
Dewapriya, Pradeep
Egan, Joseph M.
Garson, Mary J.
Genta-Jouve, Grégory
Gerwick, William H.
Gross, Harald
Harper, Mary Kay
Hermanto, Precilia
Hook, James M.
Hunter, Luke
Jeannerat, Damien
Ji, Nai-Yun
Johnson, Tyler A.
Kingston, David G. I.
Koshino, Hiroyuki
Lee, Hsiau-Wei
Lewin, Guy
Li, Jie
Linington, Roger G.
Liu, Miaomiao
McPhail, Kerry L.
Molinski, Tadeusz F.
Moore, Bradley S.
Nam, Joo-Won
Neupane, Ram P.
Niemitz, Matthias
Nuzillard, Jean-Marc
Oberlies, Nicholas H.
Ocampos, Fernanda M. M.
Pan, Guohui
Quinn, Ronald J.
Reddy, D. Sai
Renault, Jean-Hugues
Rivera-Chávez, José
Robien, Wolfgang
Saunders, Carla M.
Schmidt, Thomas J.
Seger, Christoph
Shen, Ben
Steinbeck, Christoph
Stuppner, Hermann
Sturm, Sonja
Taglialatela-Scafati, Orazio
Tantillo, Dean J.
Verpoorte, Robert
Wang, Bin-Gui
Williams, Craig M.
Williams, Philip G.
Wist, Julien
Yue, Jian-Min
Zhang, Chen
Xu, Zhengren
Simmler, Charlotte
Lankin, David C.
Bisson, Jonathan
Pauli, Guido F.
The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
title The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
title_full The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
title_fullStr The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
title_full_unstemmed The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
title_short The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
title_sort value of universally available raw nmr data for transparency, reproducibility, and integrity in natural product research
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6350634/
https://www.ncbi.nlm.nih.gov/pubmed/30003207
http://dx.doi.org/10.1039/c7np00064b
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