The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research-Reference-Cited by-同舟云学术

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

Published:2019 Issue:1 Volume:36 Page:35-107
ISSN:0265-0568
Container-title:Natural Product Reports
language:en
Short-container-title:Nat. Prod. Rep.

Author:

McAlpine James B.¹²³⁴⁵^ORCID,Chen Shao-Nong¹²³⁴⁵^ORCID,Kutateladze Andrei⁶⁷⁸⁹^ORCID,MacMillan John B.⁶¹⁰¹¹⁹^ORCID,Appendino Giovanni¹²¹³¹⁴¹⁵¹⁶^ORCID,Barison Andersson¹⁷¹⁸¹⁹²⁰^ORCID,Beniddir Mehdi A.²¹²²²³²⁴²⁵^ORCID,Biavatti Maique W.²⁶²⁷²⁸²⁰^ORCID,Bluml Stefan²⁹³⁰³¹⁹^ORCID,Boufridi Asmaa³²³³³⁴³⁵^ORCID,Butler Mark S.³⁶³⁷³⁸³⁵^ORCID,Capon Robert J.³⁶³⁷³⁸³⁵^ORCID,Choi Young H.³⁹⁴⁰⁴¹⁴²⁴³^ORCID,Coppage David⁶¹⁰¹¹⁹,Crews Phillip⁶¹⁰¹¹⁹^ORCID,Crimmins Michael T.⁴⁴⁴⁵⁹^ORCID,Csete Marie²⁹⁴⁶⁴⁷⁹^ORCID,Dewapriya Pradeep³⁶³⁷³⁸³⁵^ORCID,Egan Joseph M.⁴⁸⁴⁹⁵⁰⁵¹^ORCID,Garson Mary J.⁵²⁵³³⁸³⁵^ORCID,Genta-Jouve Grégory⁵⁴⁵⁵⁵⁶⁵⁷⁵⁸^ORCID,Gerwick William H.⁵⁹¹⁰⁶⁰⁹⁶¹^ORCID,Gross Harald⁶²⁶³⁶⁴⁶⁵^ORCID,Harper Mary Kay⁶⁶⁶⁷⁶⁸⁹,Hermanto Precilia⁶⁹⁷⁰⁷¹⁷²³⁵,Hook James M.⁶⁹⁷⁰⁷¹⁷²³⁵^ORCID,Hunter Luke⁶⁹⁷⁰⁷¹⁷²³⁵^ORCID,Jeannerat Damien⁷³⁷⁴⁷⁵⁷⁶^ORCID,Ji Nai-Yun⁷⁷⁷⁸⁷⁹⁸⁰^ORCID,Johnson Tyler A.⁶¹⁰¹¹⁹,Kingston David G. I.⁴⁸⁸¹⁸²⁹^ORCID,Koshino Hiroyuki⁸³⁸⁴⁸⁵⁸⁶^ORCID,Lee Hsiau-Wei⁶¹⁰¹¹⁹,Lewin Guy²¹²²²³²⁴²⁵,Li Jie⁶¹⁸⁷⁹^ORCID,Linington Roger G.⁴⁸⁴⁹⁵⁰⁵¹^ORCID,Liu Miaomiao³²³³³⁴³⁵,McPhail Kerry L.²⁶⁴⁸⁸⁸⁹⁹^ORCID,Molinski Tadeusz F.¹²³⁴⁵^ORCID,Moore Bradley S.⁵⁹¹⁰⁶⁰⁹⁶¹^ORCID,Nam Joo-Won¹²³⁴⁵^ORCID,Neupane Ram P.¹²³⁴⁵,Niemitz Matthias¹²³⁴⁵^ORCID,Nuzillard Jean-Marc¹²³⁴⁵^ORCID,Oberlies Nicholas H.¹²³⁴⁵^ORCID,Ocampos Fernanda M. M.¹⁷¹⁸¹⁹²⁰^ORCID,Pan Guohui¹²³⁴⁵^ORCID,Quinn Ronald J.³²³³³⁴³⁵^ORCID,Reddy D. Sai⁶⁷⁸⁹,Renault Jean-Hugues¹²³⁴⁵^ORCID,Rivera-Chávez José¹²³⁴⁵,Robien Wolfgang¹²³⁴⁵^ORCID,Saunders Carla M.¹²³⁴⁵^ORCID,Schmidt Thomas J.¹²³⁴⁵^ORCID,Seger Christoph¹²³⁴⁵^ORCID,Shen Ben¹²³⁴⁵^ORCID,Steinbeck Christoph¹²³⁴⁵^ORCID,Stuppner Hermann¹²³⁴⁵^ORCID,Sturm Sonja¹²³⁴⁵,Taglialatela-Scafati Orazio¹²³⁴⁵^ORCID,Tantillo Dean J.¹²³⁴⁵^ORCID,Verpoorte Robert³⁹⁴⁰⁴¹⁴²⁴³^ORCID,Wang Bin-Gui⁷⁷⁷⁸⁷⁹⁸⁰¹^ORCID,Williams Craig M.⁵²⁵³³⁸³⁵^ORCID,Williams Philip G.¹²³⁴⁵^ORCID,Wist Julien¹²³⁴⁵^ORCID,Yue Jian-Min¹²³⁴⁵^ORCID,Zhang Chen¹²³⁴⁵,Xu Zhengren¹²³⁴⁵^ORCID,Simmler Charlotte¹²³⁴⁵^ORCID,Lankin David C.¹²³⁴⁵^ORCID,Bisson Jonathan¹²³⁴⁵^ORCID,Pauli Guido F.¹²³⁴⁵^ORCID

Affiliation:

1. Center for Natural Product Technologies (CENAPT)

2. Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS)

3. Department of Medicinal Chemistry and Pharmacognosy

4. College of Pharmacy

5. University of Illinois at Chicago

6. Department of Chemistry and Biochemistry

7. University of Denver

8. Denver

9. USA

10. University of California

11. Santa Cruz

12. Dipartimento di Scienze Chimiche

13. Alimentari, Farmaceutiche e Farmacologiche

14. Universita` del Piemonte Orientale

15. 28100 Novara

16. Italy

17. NMR Center

18. Federal University of Paraná

19. Curitiba

20. Brazil

21. Équipe “Pharmacognosie-Chimie des Substances Naturelles” BioCIS

22. Univ. Paris-Sud

23. CNRS

24. Université Paris-Saclay

25. France

26. Department of Pharmaceutical Sciences

27. Federal University of Santa Catarina

28. Florianópolis

29. University of Southern California

30. Keck School of Medicine

31. Los Angeles

32. Griffith Institute for Drug Discovery

33. Griffith University

34. Brisbane

35. Australia

36. Institute for Molecular Bioscience

37. The University of Queensland

38. St. Lucia

39. Division of Pharmacognosy

40. Section Metabolomics

41. Institute of Biology

42. Leiden University

43. 2300 RA Leiden

44. Kenan and Caudill Laboratories of Chemistry

45. University of North Carolina at Chapel Hill

46. Huntington Medical Research Institutes

47. Pasadena

48. Department of Chemistry

49. Simon Fraser University

50. Burnaby

51. Canada

52. School of Chemistry and Molecular Sciences

53. University of Queensland

54. C-TAC

55. UMR 8638 CNRS

56. Faculté de Pharmacie de Paris

57. Paris-Descartes University

58. 75006 Paris

59. Skaggs School of Pharmacy and Pharmaceutical Sciences

60. San Diego

61. Center for Marine Biotechnology and Biomedicine

62. Pharmaceutical Institute

63. Department of Pharmaceutical Biology

64. Eberhard Karls University of Tübingen

65. Germany

66. Department of Medicinal Chemistry

67. University of Utah

68. Salt Lake City

69. NMR Facility

70. Mark Wainwright Analytical Centre

71. University of New South Wales

72. Sydney

73. University of Geneva

74. Department of Organic Chemistry

75. CH 1211 Geneva 4

76. Switzerland

77. Yantai Institute of Coastal Zone Research

78. Chinese Academy of Sciences

79. Yantai 264003

80. People's Republic of China

81. M/C 0212

82. Virginia Polytechnic Institute and State University

83. RIKEN Center for Sustainable Resource Science

84. Wako

85. Saitama

86. Japan

87. Scripps Institution of Oceanography

88. Oregon State University

89. Corvallis

Abstract

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.

Funder

National Center for Complementary and Integrative Health

National Institutes of Health

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/NP/C7NP00064B

Reference397 articles.

1. Dissemination of original NMR data enhances reproducibility and integrity in chemical research

2. M. Elyashberg , A. J.Williams and K.Blinov , Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation , The Royal Society of Chemistry , Cambridge , 2012

3. Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision

4. The Correct Structure of Aquatolide—Experimental Validation of a Theoretically-Predicted Structural Revision

5. Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 - a free in-house NMR database with integrated LIMS for academic service laboratories

Cited by 94 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data;Journal of Natural Products;2023-11-07

2. Road Map Toward Computer-Guided Total Synthesis of Natural Products. The Dysiherbol A Case Study: What if Serendipity Hadn’t Intervened?;The Journal of Organic Chemistry;2023-09-20

3. NMR Prediction with Computational Chemistry;Enabling Tools and Techniques for Organic Synthesis;2023-08-31

4. The Ethics of Publishing Biomedical and Natural Products Research;Journal of Natural Products;2023-08-28

5. CloMet: A Novel Open-Source and Modular Software Platform That Connects Established Metabolomics Repositories and Data Analysis Resources;Journal of Proteome Research;2023-07-10