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, Gregory; 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-Chavez, Jose; 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.
发表期刊NATURAL PRODUCT REPORTS
ISSN0265-0568
2019
卷号36期号:1页码:35-107
关键词NUCLEAR-MAGNETIC-RESONANCEMACROCYCLIC LACTONE ANTIBIOTICSMONOTERPENOID INDOLE ALKALOIDSUNPRECEDENTED CARBON SKELETONPROTON COUPLING-CONSTANTSA-TYPE PROANTHOCYANIDINSSULFUR-CONTAINING AMIDESSTRUCTURE ELUCIDATIONMARINE SPONGEPROPOSED STRUCTURE
研究领域Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Chemistry
DOI10.1039/c7np00064b
产权排序[McAlpine, James B.; Chen, Shao-Nong; Simmler, Charlotte; Lankin, David C.; Bisson, Jonathan; Pauli, Guido F.] 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; [Kutateladze, Andrei; Reddy, D. Sai] Univ Denver, Dept Chem & Biochem, Denver, CO 80210 USA; [MacMillan, John B.; Coppage, David; Crews, Phillip; Johnson, Tyler A.; Lee, Hsiau-Wei] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA; [Appendino, Giovanni] Univ Piemonte Orientale, Dipartimento Sci Chim Alimentari Farmaceut & Farm, Via Bovio 6, I-28100 Novara, Italy; [Barison, Andersson; Ocampos, Fernanda M. M.] Univ Fed Parana, NMR Ctr, Curitiba, Parana, Brazil; [Beniddir, Mehdi A.; Lewin, Guy] Univ Paris Saclay, Univ Paris Sud, CNRS, Equipe Pharmacognosie Chim Subst Nat BioCIS, 5 Rue JB Clement, F-92290 Chatenay Malabry, France; [Biavatti, Maique W.] Univ Fed Santa Catarina, Dept Pharmaceut Sci, Florianopolis, SC, Brazil; [Bluml, Stefan] Univ Southern Calif, Keck Sch Med, Los Angeles, CA 90033 USA; [Boufridi, Asmaa; Liu, Miaomiao; Quinn, Ronald J.] Griffith Univ, Griffith Inst Drug Discovery, Brisbane, Qld 4111, Australia; [Butler, Mark S.; Capon, Robert J.; Dewapriya, Pradeep] Univ Queensland, Inst Mol Biosci, St Lucia, Qld 4072, Australia; [Choi, Young H.; Verpoorte, Robert] Leiden Univ, Inst Biol, Sect Metabol, Div Pharmacognosy, POB 9502, NL-2300 RA Leiden, Netherlands; [Crimmins, Michael T.] Univ N Carolina, Kenan & Caudill Labs Chem, Chapel Hill, NC 27599 USA; [Csete, Marie] Univ Southern Calif, Huntington Med Res Inst, 99 N El Molino Ave, Pasadena, CA 91101 USA; [Egan, Joseph M.; Linington, Roger G.] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada; [Garson, Mary J.; Williams, Craig M.] Univ Queensland, Sch Chem & Mol Sci, St Lucia, Qld 4072, Australia; [Genta-Jouve, Gregory] Paris Descartes Univ, CNRS, Fac Pharmacie Paris, Sorbonne,Paris Cite,C TAC,UMR 8638, 4 Ave Observ, F-75006 Paris, France; [Gerwick, William H.; Moore, Bradley S.] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 USA; [Gerwick, William H.; Li, Jie; Moore, Bradley S.] Scripps Inst Oceanog, Ctr Marine Biotechnol & Biomed, La Jolla, CA 92093 USA; [Gross, Harald] Eberhard Karls Univ Tubingen, Dept Pharmaceut Biol, Pharmaceut Inst, Morgenstelle 8, D-72076 Tubingen, Germany; [Harper, Mary Kay] Univ Utah, Dept Med Chem, Salt Lake City, UT 84112 USA; [Hermanto, Precilia; Hook, James M.; Hunter, Luke] Univ New South Wales, Mark Wainwright Analyt Ctr, NMR Facil, Sydney, NSW 2052, Australia; [Jeannerat, Damien] Univ Geneva, Dept Organ Chem, 30 Quai E Ansermet, CH-1211 Geneva 4, Switzerland; [Ji, Nai-Yun; Wang, Bin-Gui] Chinese Acad Sci, Yantai Inst Coastal Zone Res, Chunhui Rd 17, Yantai 264003, Peoples R China; [Kingston, David G. I.] Virginia Polytech Inst & State Univ, Dept Chem, M-C 0212, Blacksburg, VA 24061 USA; [Koshino, Hiroyuki] RIKEN, Ctr Sustainable Resource Sci, Wako, Saitama 3510198, Japan; [McPhail, Kerry L.] Oregon State Univ, Coll Pharm, Dept Pharmaceut Sci, Corvallis, OR 97331 USA; [Molinski, Tadeusz F.] Univ Calif San Diego, Dept Chem & Biochem, 9500 Gilman Dr,MC-0358, La Jolla, CA 92093 USA; [Molinski, Tadeusz F.] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, 9500 Gilman Dr,MC-0358, La Jolla, CA 92093 USA; [Niemitz, Matthias] Yeungnam Univ, Coll Pharm, 280 Daehak Ro, Gyongsan 38541, Gyeongbuk, South Korea; [Neupane, Ram P.; Williams, Philip G.] Univ Hawaii Manoa, Dept Chem, 2545 McCarthy Mall, Honolulu, HI 96822 USA; [Niemitz, Matthias] NMR Solut Ltd, Puijonkatu 24B5, Kuopio 70110, Finland; [Nuzillard, Jean-Marc; Renault, Jean-Hugues] Univ Reims, CNRS, IFR 53, FRE 2715, Bat 18,Moulin Housse,BP 1039, F-51687 Reims 2, France; [Oberlies, Nicholas H.] Univ N Carolina, Dept Chem & Biochem, Greensboro, NC 27402 USA; [Pan, Guohui; Shen, Ben; Xu, Zhengren] Scripps Res Inst, Dept Mol Med, Dept Chem, Jupiter, FL 33458 USA; [Pan, Guohui; Shen, Ben; Xu, Zhengren] Scripps Res Inst, Nat Prod Lib Initiat, Jupiter, FL 33458 USA; [Rivera-Chavez, Jose] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico; [Robien, Wolfgang] Univ Vienna, Dept Organ Chem, Wahringerstr 38, A-1090 Vienna, Austria; [Saunders, Carla M.; Tantillo, Dean J.] Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA; [Schmidt, Thomas J.] Univ Munster, IPBP, Pharma Campus,Corrensstr 48, D-48149 Munster, Germany; [Seger, Christoph; Stuppner, Hermann; Sturm, Sonja] Univ Innsbruck, Inst Pharm, Pharmacognosy, CMBI, Innrain 80-82, A-6020 Innsbruck, Austria; [Steinbeck, Christoph] Friedrich Schiller Univ, Inst Inorgan & Analyt Chem, D-07743 Jena, Germany; [Taglialatela-Scafati, Orazio] Univ Napoli Federico II, Dipartimento Farm, Via Montesano 49, I-80131 Naples, Italy; [Wang, Bin-Gui] 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; [Wist, Julien] Univ Valle, Dept Quim, AA-25360 Cali, Colombia; [Yue, Jian-Min] 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; [Zhang, Chen] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA
通讯作者McAlpine, James B.(mcalpine@uic.edu); Pauli, Guido F.(gfp@uic.edu)
作者部门海岸带生物资源高效利用研究与发展中心
英文摘要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.
文章类型Review
资助机构NCCIH [U41 AT008706]; ODS/NIH; HiFAN grant [U41 AT008718]
收录类别SCI
语种英语
关键词[WOS]NUCLEAR-MAGNETIC-RESONANCE; MACROCYCLIC LACTONE ANTIBIOTICS; MONOTERPENOID INDOLE ALKALOIDS; UNPRECEDENTED CARBON SKELETON; PROTON COUPLING-CONSTANTS; A-TYPE PROANTHOCYANIDINS; SULFUR-CONTAINING AMIDES; STRUCTURE ELUCIDATION; MARINE SPONGE; PROPOSED STRUCTURE
研究领域[WOS]Biochemistry & Molecular Biology; Chemistry, Medicinal; Chemistry, Organic
WOS记录号WOS:000457374500001
引用统计被引频次：55[WOS][WOS记录][WOS相关记录]
文献类型期刊论文
条目标识符http://ir.yic.ac.cnhttp://ir.yic.ac.cn/handle/133337/24613
专题海岸带生物学与生物资源利用重点实验室_海岸带生物资源高效利用研究与发展中心
中国科学院烟台海岸带研究所
海岸带生物学与生物资源利用重点实验室_海岸带生物学与生物资源保护实验室

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.Yeungnam Univ, Coll Pharm, 280 Daehak Ro, Gyongsan 38541, Gyeongbuk, South Korea;
29.Univ Hawaii Manoa, Dept Chem, 2545 McCarthy Mall, Honolulu, HI 96822 USA;
30.NMR Solut Ltd, Puijonkatu 24B5, Kuopio 70110, Finland;
31.Univ Reims, CNRS, IFR 53, FRE 2715, Bat 18,Moulin Housse,BP 1039, F-51687 Reims 2, France;
32.Univ N Carolina, Dept Chem & Biochem, Greensboro, NC 27402 USA;
33.Scripps Res Inst, Dept Mol Med, Dept Chem, Jupiter, FL 33458 USA;
34.Scripps Res Inst, Nat Prod Lib Initiat, Jupiter, FL 33458 USA;
35.Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico;
36.Univ Vienna, Dept Organ Chem, Wahringerstr 38, A-1090 Vienna, Austria;
37.Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA;
38.Univ Munster, IPBP, Pharma Campus,Corrensstr 48, D-48149 Munster, Germany;
39.Univ Innsbruck, Inst Pharm, Pharmacognosy, CMBI, Innrain 80-82, A-6020 Innsbruck, Austria;
40.Friedrich Schiller Univ, Inst Inorgan & Analyt Chem, D-07743 Jena, Germany;
41.Univ Napoli Federico II, Dipartimento Farm, Via Montesano 49, I-80131 Naples, Italy;
42.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;
43.Univ Valle, Dept Quim, AA-25360 Cali, Colombia;
44.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;
45.Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA

推荐引用方式
GB/T 7714McAlpine, 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.
APAMcAlpine, 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.
MLAMcAlpine, 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.


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