Literature DB >> 21042643

Interproton distance determinations by NOE--surprising accuracy and precision in a rigid organic molecule.

Craig P Butts1, Catharine R Jones, Emma C Towers, Jennifer L Flynn, Lara Appleby, Nicholas J Barron.   

Abstract

The accuracy inherent in the measurement of interproton distances in small molecules by nuclear Overhauser enhancement (NOE) and rotational Overhauser enhancement (ROE) methods is investigated with the rigid model compound strychnine. The results suggest that interproton distances can be established with a remarkable level of accuracy, within a few percent of their true values, using a straight-forward data analysis method if experiments are conducted under conditions that support the initial rate approximation. Dealing with deviations from these conditions and other practical issues regarding these measurements are discussed.

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Year:  2010        PMID: 21042643     DOI: 10.1039/c0ob00479k

Source DB:  PubMed          Journal:  Org Biomol Chem        ISSN: 1477-0520            Impact factor:   3.876


  16 in total

1.  Polybrominated Diphenyl Ethers: Structure Determination and Trends in Antibacterial Activity.

Authors:  Hongbing Liu; Katheryn Lohith; Margaret Rosario; Thomas H Pulliam; Robert D O'Connor; Lori J Bell; Carole A Bewley
Journal:  J Nat Prod       Date:  2016-07-11       Impact factor: 4.050

2.  Enhanced Nuclear Magnetic Resonance Spectroscopy with Isotropic Mixing as a Pseudodimension.

Authors:  Dariusz Gołowicz; Alexandra Shchukina; Krzysztof Kazimierczuk
Journal:  Anal Chem       Date:  2022-06-13       Impact factor: 8.008

3.  Progress toward B-Cell Lymphoma 6 BTB Domain Inhibitors for the Treatment of Diffuse Large B-Cell Lymphoma and Beyond.

Authors:  Yong Ai; Lucia Hwang; Alexander D MacKerell; Ari Melnick; Fengtian Xue
Journal:  J Med Chem       Date:  2021-04-12       Impact factor: 7.446

4.  The 3-D conformational shape of N-naphthyl-cyclopenta[d]pyrimidines affects their potency as microtubule targeting agents and their antitumor activity.

Authors:  Weiguo Xiang; Tasdique M Quadery; Ernest Hamel; Lerin R Luckett-Chastain; Michael A Ihnat; Susan L Mooberry; Aleem Gangjee
Journal:  Bioorg Med Chem       Date:  2020-11-24       Impact factor: 3.641

5.  Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule.

Authors:  Catharine R Jones; Craig P Butts; Jeremy N Harvey
Journal:  Beilstein J Org Chem       Date:  2011-02-01       Impact factor: 2.883

6.  Structure elucidation of β-cyclodextrin-xylazine complex by a combination of quantitative (1)H-(1)H ROESY and molecular dynamics studies.

Authors:  Syed Mashhood Ali; Kehkeshan Fatma; Snehal Dhokale
Journal:  Beilstein J Org Chem       Date:  2013-09-23       Impact factor: 2.883

7.  Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of (13)C chemical shifts.

Authors:  Simone Di Micco; Angela Zampella; Maria Valeria D'Auria; Carmen Festa; Simona De Marino; Raffaele Riccio; Craig P Butts; Giuseppe Bifulco
Journal:  Beilstein J Org Chem       Date:  2013-12-30       Impact factor: 2.883

8.  New Polyketides and New Benzoic Acid Derivatives from the Marine Sponge-Associated Fungus Neosartorya quadricincta KUFA 0081.

Authors:  Chadaporn Prompanya; Tida Dethoup; Luís Gales; Michael Lee; José A C Pereira; Artur M S Silva; Madalena M M Pinto; Anake Kijjoa
Journal:  Mar Drugs       Date:  2016-07-16       Impact factor: 5.118

9.  Reaction trajectory revealed by a joint analysis of protein data bank.

Authors:  Zhong Ren
Journal:  PLoS One       Date:  2013-11-11       Impact factor: 3.240

10.  Assembly-line synthesis of organic molecules with tailored shapes.

Authors:  Matthew Burns; Stéphanie Essafi; Jessica R Bame; Stephanie P Bull; Matthew P Webster; Sébastien Balieu; James W Dale; Craig P Butts; Jeremy N Harvey; Varinder K Aggarwal
Journal:  Nature       Date:  2014-09-11       Impact factor: 49.962

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