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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| Veröffentlicht in: | Natural product reports 2019-01, Vol.36 (1), p.35-17 |
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| creator | 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 |
| 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.
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. |
| doi_str_mv | 10.1039/c7np00064b |
| format | Article |
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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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I</creatorcontrib><creatorcontrib>Koshino, Hiroyuki</creatorcontrib><creatorcontrib>Lee, Hsiau-Wei</creatorcontrib><creatorcontrib>Lewin, Guy</creatorcontrib><creatorcontrib>Li, Jie</creatorcontrib><creatorcontrib>Linington, Roger G</creatorcontrib><creatorcontrib>Liu, Miaomiao</creatorcontrib><creatorcontrib>McPhail, Kerry L</creatorcontrib><creatorcontrib>Molinski, Tadeusz F</creatorcontrib><creatorcontrib>Moore, Bradley S</creatorcontrib><creatorcontrib>Nam, Joo-Won</creatorcontrib><creatorcontrib>Neupane, Ram P</creatorcontrib><creatorcontrib>Niemitz, Matthias</creatorcontrib><creatorcontrib>Nuzillard, Jean-Marc</creatorcontrib><creatorcontrib>Oberlies, Nicholas H</creatorcontrib><creatorcontrib>Ocampos, Fernanda M. M</creatorcontrib><creatorcontrib>Pan, Guohui</creatorcontrib><creatorcontrib>Quinn, Ronald J</creatorcontrib><creatorcontrib>Reddy, D. Sai</creatorcontrib><creatorcontrib>Renault, Jean-Hugues</creatorcontrib><creatorcontrib>Rivera-Chávez, José</creatorcontrib><creatorcontrib>Robien, Wolfgang</creatorcontrib><creatorcontrib>Saunders, Carla M</creatorcontrib><creatorcontrib>Schmidt, Thomas J</creatorcontrib><creatorcontrib>Seger, Christoph</creatorcontrib><creatorcontrib>Shen, Ben</creatorcontrib><creatorcontrib>Steinbeck, Christoph</creatorcontrib><creatorcontrib>Stuppner, Hermann</creatorcontrib><creatorcontrib>Sturm, Sonja</creatorcontrib><creatorcontrib>Taglialatela-Scafati, Orazio</creatorcontrib><creatorcontrib>Tantillo, Dean J</creatorcontrib><creatorcontrib>Verpoorte, Robert</creatorcontrib><creatorcontrib>Wang, Bin-Gui</creatorcontrib><creatorcontrib>Williams, Craig M</creatorcontrib><creatorcontrib>Williams, Philip G</creatorcontrib><creatorcontrib>Wist, Julien</creatorcontrib><creatorcontrib>Yue, Jian-Min</creatorcontrib><creatorcontrib>Zhang, Chen</creatorcontrib><creatorcontrib>Xu, Zhengren</creatorcontrib><creatorcontrib>Simmler, Charlotte</creatorcontrib><creatorcontrib>Lankin, David C</creatorcontrib><creatorcontrib>Bisson, Jonathan</creatorcontrib><creatorcontrib>Pauli, Guido F</creatorcontrib><title>The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research</title><title>Natural product reports</title><addtitle>Nat Prod Rep</addtitle><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.
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.</description><subject>Analytical chemistry</subject><subject>Biological Products - chemistry</subject><subject>Chemical Sciences</subject><subject>Cheminformatics</subject><subject>Inorganic chemistry</subject><subject>Integrity</subject><subject>Magnetic Resonance Spectroscopy - methods</subject><subject>Molecular Conformation</subject><subject>Natural products</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Organic chemistry</subject><subject>Reproducibility</subject><subject>Reproducibility of Results</subject><subject>Transparency</subject><issn>0265-0568</issn><issn>1460-4752</issn><issn>1460-4752</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpd0t1v0zAQAHALMbEyeOEdZIkXQATOX3HyOCpgk8pAaDxbF8ehmVyn2ElRpf3xuGQrEk-2zz-f7nQm5BmDdwxE_d7qsAWAUjYPyILJEgqpFX9IFsBLVYAqq1PyOKUbAMZ0WT4ipyJzwUEvyO312tEd-snRoaNT6HcuJvR-T3GHvcfGOxrxN7368p22OCLthkjHiCFtMbpg929pdNs4tJPtm973Yw5gaGkfRvcz5mPe0YDjFNHT2Y35RXIY7foJOenQJ_f0bj0jPz59vF5eFKuvny-X56vCKibHohK8rh0HBVi2Wsqua2vsWAdCVlCDUpJx5QAaa6uy4lzqKvfmVNUy0bZWizPyes67Rm-2sd9g3JsBe3NxvjKHGLC6VlCyHcv21Wxzsb8ml0az6ZN13mNww5RMzgxc1BKqTF_-R2-GKYbcieFMMyY0yIN6Mysbh5Si644VMDCH-Zmlvvr2d34fMn5xl3JqNq490vuBZfB8BjHZ4-2_DyD-AJlQnhM</recordid><startdate>20190101</startdate><enddate>20190101</enddate><creator>McAlpine, James B</creator><creator>Chen, Shao-Nong</creator><creator>Kutateladze, Andrei</creator><creator>MacMillan, John B</creator><creator>Appendino, Giovanni</creator><creator>Barison, Andersson</creator><creator>Beniddir, Mehdi A</creator><creator>Biavatti, Maique W</creator><creator>Bluml, Stefan</creator><creator>Boufridi, Asmaa</creator><creator>Butler, Mark S</creator><creator>Capon, Robert J</creator><creator>Choi, Young H</creator><creator>Coppage, David</creator><creator>Crews, Phillip</creator><creator>Crimmins, Michael T</creator><creator>Csete, Marie</creator><creator>Dewapriya, Pradeep</creator><creator>Egan, Joseph M</creator><creator>Garson, Mary J</creator><creator>Genta-Jouve, Grégory</creator><creator>Gerwick, William H</creator><creator>Gross, Harald</creator><creator>Harper, Mary Kay</creator><creator>Hermanto, Precilia</creator><creator>Hook, James M</creator><creator>Hunter, Luke</creator><creator>Jeannerat, Damien</creator><creator>Ji, Nai-Yun</creator><creator>Johnson, Tyler A</creator><creator>Kingston, David G. 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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><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c514t-83299e2050a6d744ffd9af1f0348090554125e00bcc86822478207e58d13ddc73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Analytical chemistry</topic><topic>Biological Products - chemistry</topic><topic>Chemical Sciences</topic><topic>Cheminformatics</topic><topic>Inorganic chemistry</topic><topic>Integrity</topic><topic>Magnetic Resonance Spectroscopy - methods</topic><topic>Molecular Conformation</topic><topic>Natural products</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Organic chemistry</topic><topic>Reproducibility</topic><topic>Reproducibility of Results</topic><topic>Transparency</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>McAlpine, James B</creatorcontrib><creatorcontrib>Chen, Shao-Nong</creatorcontrib><creatorcontrib>Kutateladze, Andrei</creatorcontrib><creatorcontrib>MacMillan, John B</creatorcontrib><creatorcontrib>Appendino, Giovanni</creatorcontrib><creatorcontrib>Barison, Andersson</creatorcontrib><creatorcontrib>Beniddir, Mehdi A</creatorcontrib><creatorcontrib>Biavatti, Maique W</creatorcontrib><creatorcontrib>Bluml, Stefan</creatorcontrib><creatorcontrib>Boufridi, Asmaa</creatorcontrib><creatorcontrib>Butler, Mark S</creatorcontrib><creatorcontrib>Capon, Robert J</creatorcontrib><creatorcontrib>Choi, Young H</creatorcontrib><creatorcontrib>Coppage, David</creatorcontrib><creatorcontrib>Crews, Phillip</creatorcontrib><creatorcontrib>Crimmins, Michael T</creatorcontrib><creatorcontrib>Csete, Marie</creatorcontrib><creatorcontrib>Dewapriya, Pradeep</creatorcontrib><creatorcontrib>Egan, Joseph M</creatorcontrib><creatorcontrib>Garson, Mary J</creatorcontrib><creatorcontrib>Genta-Jouve, Grégory</creatorcontrib><creatorcontrib>Gerwick, William H</creatorcontrib><creatorcontrib>Gross, Harald</creatorcontrib><creatorcontrib>Harper, Mary Kay</creatorcontrib><creatorcontrib>Hermanto, Precilia</creatorcontrib><creatorcontrib>Hook, James M</creatorcontrib><creatorcontrib>Hunter, Luke</creatorcontrib><creatorcontrib>Jeannerat, Damien</creatorcontrib><creatorcontrib>Ji, Nai-Yun</creatorcontrib><creatorcontrib>Johnson, Tyler A</creatorcontrib><creatorcontrib>Kingston, David G. I</creatorcontrib><creatorcontrib>Koshino, Hiroyuki</creatorcontrib><creatorcontrib>Lee, Hsiau-Wei</creatorcontrib><creatorcontrib>Lewin, Guy</creatorcontrib><creatorcontrib>Li, Jie</creatorcontrib><creatorcontrib>Linington, Roger G</creatorcontrib><creatorcontrib>Liu, Miaomiao</creatorcontrib><creatorcontrib>McPhail, Kerry L</creatorcontrib><creatorcontrib>Molinski, Tadeusz F</creatorcontrib><creatorcontrib>Moore, Bradley S</creatorcontrib><creatorcontrib>Nam, Joo-Won</creatorcontrib><creatorcontrib>Neupane, Ram P</creatorcontrib><creatorcontrib>Niemitz, Matthias</creatorcontrib><creatorcontrib>Nuzillard, Jean-Marc</creatorcontrib><creatorcontrib>Oberlies, Nicholas H</creatorcontrib><creatorcontrib>Ocampos, Fernanda M. M</creatorcontrib><creatorcontrib>Pan, Guohui</creatorcontrib><creatorcontrib>Quinn, Ronald J</creatorcontrib><creatorcontrib>Reddy, D. 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I</au><au>Koshino, Hiroyuki</au><au>Lee, Hsiau-Wei</au><au>Lewin, Guy</au><au>Li, Jie</au><au>Linington, Roger G</au><au>Liu, Miaomiao</au><au>McPhail, Kerry L</au><au>Molinski, Tadeusz F</au><au>Moore, Bradley S</au><au>Nam, Joo-Won</au><au>Neupane, Ram P</au><au>Niemitz, Matthias</au><au>Nuzillard, Jean-Marc</au><au>Oberlies, Nicholas H</au><au>Ocampos, Fernanda M. M</au><au>Pan, Guohui</au><au>Quinn, Ronald J</au><au>Reddy, D. Sai</au><au>Renault, Jean-Hugues</au><au>Rivera-Chávez, José</au><au>Robien, Wolfgang</au><au>Saunders, Carla M</au><au>Schmidt, Thomas J</au><au>Seger, Christoph</au><au>Shen, Ben</au><au>Steinbeck, Christoph</au><au>Stuppner, Hermann</au><au>Sturm, Sonja</au><au>Taglialatela-Scafati, Orazio</au><au>Tantillo, Dean J</au><au>Verpoorte, Robert</au><au>Wang, Bin-Gui</au><au>Williams, Craig M</au><au>Williams, Philip G</au><au>Wist, Julien</au><au>Yue, Jian-Min</au><au>Zhang, Chen</au><au>Xu, Zhengren</au><au>Simmler, Charlotte</au><au>Lankin, David C</au><au>Bisson, Jonathan</au><au>Pauli, Guido F</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research</atitle><jtitle>Natural product reports</jtitle><addtitle>Nat Prod Rep</addtitle><date>2019-01-01</date><risdate>2019</risdate><volume>36</volume><issue>1</issue><spage>35</spage><epage>17</epage><pages>35-17</pages><issn>0265-0568</issn><issn>1460-4752</issn><eissn>1460-4752</eissn><abstract>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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| fulltext | fulltext |
| identifier | ISSN: 0265-0568 |
| ispartof | Natural product reports, 2019-01, Vol.36 (1), p.35-17 |
| issn | 0265-0568 1460-4752 1460-4752 |
| language | eng |
| recordid | cdi_proquest_journals_2171137048 |
| source | MEDLINE; Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Analytical chemistry Biological Products - chemistry Chemical Sciences Cheminformatics Inorganic chemistry Integrity Magnetic Resonance Spectroscopy - methods Molecular Conformation Natural products NMR Nuclear magnetic resonance Organic chemistry Reproducibility Reproducibility of Results Transparency |
| title | The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research |
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