Discovery and structure elucidation of natural products available in infinitesimally small quantities are recognized challenge. This challenge is epitomized by the diphenazine class of molecules that contain three bridged stereocenters, several conformations, ring fusions, and multiple spatially isolated phenols. Because empirical NMR and spatial analyses using ROESY/NOESY were unsuccessful in tackling these challenges, we developed a computational pipeline to determine the relative and absolute...
Journal Highlight: Authentication of the origin of sucrose-based sugar products using quantitative natural abundance 13C NMR
Journal Highlight: Authentication of the origin of sucrose-based sugar products using quantitative natural abundance 13C NMR
http://www.spectroscopynow.com/common/images/thumbnails/154eca4d25d.jpgA direct 13C nuclear magnetic resonance (NMR) method can differentiate between sucrose-based sugar products produced from sugar beet (C3 plant) and sugar cane (C4 plant), providing an alternative to isotope ratio MS.
Read the rest at Spectroscopynow.com
nmrlearner
General
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05-30-2016 01:15 PM
Natural Products Analysis: Instrumentation, Methods, and Applications
Natural Products Analysis: Instrumentation, Methods, and Applications
http://media.wiley.com/product_data/coverImage/16/11184666/1118466616.jpgThis book highlights analytical chemistry instrumentation and practices applied to the analysis of natural products and their complex mixtures, describing techniques for isolating and characterizing natural products.• Applies analytical techniques to natural products research – an area of critical importance to drug discovery• Offers a one-stop shop for most analytical methods: x-ray diffraction, NMR analysis, mass spectrometry, and...
nmrlearner
Books
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10-21-2014 11:31 PM
[NMR paper] Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.
Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.
Related Articles Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.
Chem Soc Rev. 2013 Jul 25;
Authors: Toukach FV, Ananikov VP
Abstract
All living systems are comprised of four fundamental classes of macromolecules - nucleic acids, proteins, lipids, and carbohydrates (glycans). Glycans play a unique role of joining three...
nmrlearner
Journal club
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07-28-2013 07:46 PM
[NMR paper] Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation.
Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation.
Related Articles Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation.
Acc Chem Res. 2013 Apr 15;
Authors: Weingarth M, Baldus M
Abstract
Supramolecular chemistry provides structural and conformational information about complexes formed from multiple molecules. While the molecule is held together by strong intramolecular contacts like covalent bonds, supramolecular structures can be further stabilized by weaker or transient intermolecular...
nmrlearner
Journal club
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04-17-2013 08:15 PM
Biochemical disorders induced by cytotoxic marine natural products in breast cancer c
Biochemical disorders induced by cytotoxic marine natural products in breast cancer cells as revealed by proton NMR spectroscopy-based metabolomics.
Related Articles Biochemical disorders induced by cytotoxic marine natural products in breast cancer cells as revealed by proton NMR spectroscopy-based metabolomics.
Biochem Pharmacol. 2010 Oct 15;80(8):1170-9
Authors: Bayet-Robert M, Lim S, Barthomeuf C, Morvan D
Marine plants and animals are sources of a huge number of pharmacologically active compounds, some of which exhibit antineoplastic...
nmrlearner
Journal club
0
10-12-2010 02:52 PM
[NMR software blog] Natural Products
Natural Products
http://1.bp.blogspot.com/_ROkYShLRKqA/SteNWieFqCI/AAAAAAAAARk/qKuAY5zIiGo/s400/antiphase.png
A reader asked me: "What is the shape of a 2-D peak?" and my answer was: "Exponential! (in time domain)". This is all you need to know, I think. The picture should help, as always. If you are reading this blog, it means that you have something like a computer. Even the iPhone is a computer (you can run programs on it) and can display my blog. I suspect, however, that you have a better computer, like I do.
You can use your computer to run simulations and more: you can ask it to...
An ECD and NMR/DP4+ Computational Pipeline for Structure Revision and Elucidation of Diphenazine-Based Natural Products
Linear Mode
