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

doi:10.1039/c7np00064b

IOCAS-IR > 实验海洋生物学重点实验室

	The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
	McAlpine, James B.1; Chen, Shao-Nong 1; Kutateladze, Andrei 2; MacMillan, John B.3; Appendino, Giovanni 4; Barison, Andersson 5; Beniddir, Mehdi A.6; Biavatti, Maique W.7; Bluml, Stefan 8; Boufridi, Asmaa 9; Butler, Mark S.10; Capon, Robert J.10; Choi, Young H.11; Coppage, David 3; Crews, Phillip 3; Crimmins, Michael T.12; Csete, Marie 13; Dewapriya, Pradeep 10; Egan, Joseph M.14; Garson, Mary J.15; Genta-Jouve, Gregory 16; Gerwick, William H.17,18; Gross, Harald 19; Harper, Mary Kay 20; Hermanto, Precilia 21; Hook, James M.21; Hunter, Luke 21; Jeannerat, Damien 22; Ji, Nai-Yun 23; Johnson, Tyler A.3; Kingston, David G. I.24; Koshino, Hiroyuki 25; Lee, Hsiau-Wei 3; Lewin, Guy 6; Li, Jie18 ; Linington, Roger G.14; Liu, Miaomiao 9; McPhail, Kerry L.26; Molinski, Tadeusz F.27,28; Moore, Bradley S.17,18; Nam, Joo-Won ; Neupane, Ram P.30; Niemitz, Matthias 29,31; Nuzillard, Jean-Marc 32; Oberlies, Nicholas H.33; Ocampos, Fernanda M. M.5; Pan, Guohui 34,35; Quinn, Ronald J.9; Reddy, D. Sai 2; Renault, Jean-Hugues 32; Rivera-Chavez, Jose 36; Robien, Wolfgang 37; Saunders, Carla M.38; Schmidt, Thomas J.39; Seger, Christoph 40; Shen, Ben 34,35; Steinbeck, Christoph 41; Stuppner, Hermann 40; Sturm, Sonja 40; Taglialatela-Scafati, Orazio 42; Tantillo, Dean J.38; Verpoorte, Robert 11; Wang, Bin-Gui23,43 ; Williams, Craig M.15; Williams, Philip G.30; Wist, Julien 44; Yue, Jian-Min 45; Zhang, Chen46 ; Xu, Zhengren 34,35; Simmler, Charlotte 1; Lankin, David C.1; Bisson, Jonathan 1; Pauli, Guido F.1
	2019
发表期刊	NATURAL PRODUCT REPORTS
ISSN	0265-0568
卷号	36 期号:1 页码:35-107
通讯作者	McAlpine, James B.([email protected]) ; Pauli, Guido F.([email protected])
摘要	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.
DOI	10.1039/c7np00064b
收录类别	SCI
语种	英语
资助项目	NCCIH[U41 AT008706]###2423; ODS/NIH###2424; HiFAN grant[U41 AT008718]###2425; NCCIH[U41 AT008706]; ODS/NIH; HiFAN grant[U41 AT008718]
WOS研究方向	Biochemistry & Molecular Biology ; Pharmacology & Pharmacy ; Chemistry
WOS类目	Biochemistry & Molecular Biology ; Chemistry, Medicinal ; Chemistry, Organic
WOS记录号	WOS:000457374500001
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：84[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.qdio.ac.cn/handle/337002/160817
专题	实验海洋生物学重点实验室
通讯作者	McAlpine, James B.; Pauli, Guido F.
作者单位	1.Univ Illinois, Program Collaborat Res Pharmaceut Sci PCRPS, Ctr Nat Product Technol CENAPT, Dept Med Chem & Pharmacognosy,Coll Pharm, 833 S Wood St, Chicago, IL 60612 USA 2.Univ Denver, Dept Chem & Biochem, Denver, CO 80210 USA 3.Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA 4.Univ Piemonte Orientale, Dipartimento Sci Chim Alimentari Farmaceut & Farm, Via Bovio 6, I-28100 Novara, Italy 5.Univ Fed Parana, NMR Ctr, Curitiba, Parana, Brazil 6.Univ Paris Saclay, Univ Paris Sud, CNRS, Equipe Pharmacognosie Chim Subst Nat BioCIS, 5 Rue JB Clement, F-92290 Chatenay Malabry, France 7.Univ Fed Santa Catarina, Dept Pharmaceut Sci, Florianopolis, SC, Brazil 8.Univ Southern Calif, Keck Sch Med, Los Angeles, CA 90033 USA 9.Griffith Univ, Griffith Inst Drug Discovery, Brisbane, Qld 4111, Australia 10.Univ Queensland, Inst Mol Biosci, St Lucia, Qld 4072, Australia 11.Leiden Univ, Inst Biol, Sect Metabol, Div Pharmacognosy, POB 9502, NL-2300 RA Leiden, Netherlands 12.Univ N Carolina, Kenan & Caudill Labs Chem, Chapel Hill, NC 27599 USA 13.Univ Southern Calif, Huntington Med Res Inst, 99 N El Molino Ave, Pasadena, CA 91101 USA 14.Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada 15.Univ Queensland, Sch Chem & Mol Sci, St Lucia, Qld 4072, Australia 16.Paris Descartes Univ, CNRS, Fac Pharmacie Paris, Sorbonne,Paris Cite,C TAC,UMR 8638, 4 Ave Observ, F-75006 Paris, France 17.Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 USA 18.Scripps Inst Oceanog, Ctr Marine Biotechnol & Biomed, La Jolla, CA 92093 USA 19.Eberhard Karls Univ Tubingen, Dept Pharmaceut Biol, Pharmaceut Inst, Morgenstelle 8, D-72076 Tubingen, Germany 20.Univ Utah, Dept Med Chem, Salt Lake City, UT 84112 USA 21.Univ New South Wales, Mark Wainwright Analyt Ctr, NMR Facil, Sydney, NSW 2052, Australia 22.Univ Geneva, Dept Organ Chem, 30 Quai E Ansermet, CH-1211 Geneva 4, Switzerland 23.Chinese Acad Sci, Yantai Inst Coastal Zone Res, Chunhui Rd 17, Yantai 264003, Peoples R China 24.Virginia Polytech Inst & State Univ, Dept Chem, M-C 0212, Blacksburg, VA 24061 USA 25.RIKEN, Ctr Sustainable Resource Sci, Wako, Saitama 3510198, Japan 26.Oregon State Univ, Coll Pharm, Dept Pharmaceut Sci, Corvallis, OR 97331 USA 27.Univ Calif San Diego, Dept Chem & Biochem, 9500 Gilman Dr,MC-0358, La Jolla, CA 92093 USA 28.Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, 9500 Gilman Dr,MC-0358, La Jolla, CA 92093 USA 29.Yeungnam Univ, Coll Pharm, 280 Daehak Ro, Gyongsan 38541, Gyeongbuk, South Korea 30.Univ Hawaii Manoa, Dept Chem, 2545 McCarthy Mall, Honolulu, HI 96822 USA 31.NMR Solut Ltd, Puijonkatu 24B5, Kuopio 70110, Finland 32.Univ Reims, CNRS, IFR 53, FRE 2715, Bat 18,Moulin Housse,BP 1039, F-51687 Reims 2, France 33.Univ N Carolina, Dept Chem & Biochem, Greensboro, NC 27402 USA 34.Scripps Res Inst, Dept Mol Med, Dept Chem, Jupiter, FL 33458 USA 35.Scripps Res Inst, Nat Prod Lib Initiat, Jupiter, FL 33458 USA 36.Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico 37.Univ Vienna, Dept Organ Chem, Wahringerstr 38, A-1090 Vienna, Austria 38.Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA 39.Univ Munster, IPBP, Pharma Campus,Corrensstr 48, D-48149 Munster, Germany 40.Univ Innsbruck, Inst Pharm, Pharmacognosy, CMBI, Innrain 80-82, A-6020 Innsbruck, Austria 41.Friedrich Schiller Univ, Inst Inorgan & Analyt Chem, D-07743 Jena, Germany 42.Univ Napoli Federico II, Dipartimento Farm, Via Montesano 49, I-80131 Naples, Italy 43.Chinese Acad Sci, Qingdao Natl Lab Marine Sci & Technol, Lab Marine Biol & Biotechnol, Key Lab Expt Marine Biol,Inst Oceanol, Nanhai Rd 7, Qingdao 266071, Peoples R China 44.Univ Valle, Dept Quim, AA-25360 Cali, Colombia 45.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, 555 Zu Chong Zhi Rd,Zhangjiang Hitech Pk, Shanghai 201203, Peoples R China 46.Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA
推荐引用方式 GB/T 7714	McAlpine, James B.,Chen, Shao-Nong,Kutateladze, Andrei,et al. The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research[J]. NATURAL PRODUCT REPORTS,2019,36(1):35-107.
APA	McAlpine, James B..,Chen, Shao-Nong.,Kutateladze, Andrei.,MacMillan, John B..,Appendino, Giovanni.,...&Pauli, Guido F..(2019).The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.NATURAL PRODUCT REPORTS,36(1),35-107.
MLA	McAlpine, James B.,et al."The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research".NATURAL PRODUCT REPORTS 36.1(2019):35-107.