Please advice good software for 1D and 2D spectra assignment and structure elucidation,for small organic molecules.I'm really tired of doing these assignments on printed-out spectra with color pencils.
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[Question from NMRWiki Q&A forum] About paragnetic impurities, inorganic salts, bad workups, etc. and their impact on small-molecule NMR spectra
About paragnetic impurities, inorganic salts, bad workups, etc. and their impact on small-molecule NMR spectra
I sometimes face the challenge of explaining to my organic chemists that, even if no impurity signals are visible in their 1H spectrum, other signs (like FID shape, very poor s/n compared to what could be expected with the sample qty, broad peaks, bad resolution...) indicate that clearly, something is wrong with their sample.
Everybody would agree that it's way much easier to convince an invidual based on concrete facts ("look, here we can see solvent/starting material/side...
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Two-dimensional concurrent HMQC-COSY as an approach for small molecule chemical shift assignment and compound identification
Two-dimensional concurrent HMQC-COSY as an approach for small molecule chemical shift assignment and compound identification
Abstract Chemical shift assignment is the first step toward the structure elucidation of natural products and other chemical compounds. We propose here the use of 2D concurrent HMQC-COSY as an experiment for rapid chemical shift assignment of small molecules. This experiment provides well-dispersed 1Hâ??13C peak patterns that are distinctive for different functional groups plus 1Hâ??1H COSY connectivities that serve to identify adjacent groups. The COSY diagonal...
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Source: Spectroscopynow.com
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Scientists uncover small molecules that may prevent ebola infection : Study - Medical Daily
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Scientists uncover small molecules that may prevent ebola infection : Study
Medical Daily
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Scientists uncover small molecules that may prevent ebola infection : Study - Medical Daily
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Small molecules may prevent ebola infection - PhysOrg.com
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Small molecules may prevent ebola infection
PhysOrg.com
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01-20-2011 03:28 AM
[NMR paper] Efficient analysis of protein 2D NMR spectra using the software package EASY.
Efficient analysis of protein 2D NMR spectra using the software package EASY.
Related Articles Efficient analysis of protein 2D NMR spectra using the software package EASY.
J Biomol NMR. 1991 Jul;1(2):111-30
Authors: Eccles C, Güntert P, Billeter M, Wüthrich K
The program EASY supports the spectral analysis of biomacromolecular two-dimensional (2D) nuclear magnetic resonance (NMR) data. It provides a user-friendly, window-based environment in which to view spectra for interactive interpretation. In addition, it includes a number of automated...
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08-21-2010 11:16 PM
[NMR paper] A novel approach for sequential assignment of 1H, 13C, and 15N spectra of proteins: h
A novel approach for sequential assignment of 1H, 13C, and 15N spectra of proteins: heteronuclear triple-resonance three-dimensional NMR spectroscopy. Application to calmodulin.
Related Articles A novel approach for sequential assignment of 1H, 13C, and 15N spectra of proteins: heteronuclear triple-resonance three-dimensional NMR spectroscopy. Application to calmodulin.
Biochemistry. 1990 May 15;29(19):4659-67
Authors: Ikura M, Kay LE, Bax A
A novel approach is described for obtaining sequential assignment of the backbone 1H, 13C, and 15N...