We present here a novel protocol for quantitating changes in the NMR spectra, which is based on Mahalanobis statistics. In a two dimensional NMR spectrum, the various peaks are taken to represent a distribution, and the two chemical shifts along the orthogonal axes and the peak intensities constitute three observables. All these observables vary in a correlated manner. Taking account of these, the Mahalanobis distance (MD) reflects the distance of any chosen peak from the centre of the...
Hybridization of TEDOR and NCX MAS solid-state NMR experiments for simultaneous acquisition of heteronuclear correlation spectra and distance measurements
Hybridization of TEDOR and NCX MAS solid-state NMR experiments for simultaneous acquisition of heteronuclear correlation spectra and distance measurements
Abstract
Magic angle spinning (MAS) solid-state NMR (ssNMR) spectroscopy is a major technique for the characterization of the structural dynamics of biopolymers at atomic resolution. However, the intrinsic low sensitivity of this technique poses significant limitations to its routine application in structural biology. Here we achieve substantial savings in experimental time using a new subclass of...
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[NMR paper] Fast simulations of multidimensional NMR spectra of proteins and peptides.
Fast simulations of multidimensional NMR spectra of proteins and peptides.
Related Articles Fast simulations of multidimensional NMR spectra of proteins and peptides.
Magn Reson Chem. 2017 Sep 06;:
Authors: Vosegaard T
Abstract
To simulate full multidimensional NMR spectra of peptides and proteins in a reasonable time frame, a strategy for separating the time-consuming full-density matrix calculations from the chemical shift prediction and calculation of coupling patterns is presented. The simulation setup uses SIMPSON to...
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[NMR paper] NMR structure and binding of esculentin-1a (1-21)NH2 and its diastereomer to lipopolysaccharide: Correlation with biological functions.
NMR structure and binding of esculentin-1a (1-21)NH2 and its diastereomer to lipopolysaccharide: Correlation with biological functions.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR structure and binding of esculentin-1a (1-21)NH2 and its diastereomer to lipopolysaccharide: Correlation with biological functions.
Biochim Biophys Acta. 2016 Apr;1858(4):800-12
Authors: Ghosh A, Bera S, Shai Y, Mangoni ML, Bhunia A
Abstract
The frog...
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[NMR paper] A Different Approach to Multiplicity-Edited Heteronuclear Single Quantum Correlation Spectroscopy
A Different Approach to Multiplicity-Edited Heteronuclear Single Quantum Correlation Spectroscopy
Publication date: Available online 8 August 2015
Source:Journal of Magnetic Resonance</br>
Author(s): Peyman Sakhaii, Wolfgang Bermel</br>
A new experiment for recording multiplicity-edited HSQC spectra is presented. In standard multiplicity-edited HSQC experiments, the amplitude of CH2 signals is negative compared to those of CH and CH3 groups. We propose to reverse the sign of 13C frequencies of CH2 groups in t1 as criteria for editing. Basically, a modified r,x...
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Multidimensional Magic Angle Spinning NMR Spectroscopy for Site-Resolved Measurement of Proton Chemical Shift Anisotropy in Biological Solids
Multidimensional Magic Angle Spinning NMR Spectroscopy for Site-Resolved Measurement of Proton Chemical Shift Anisotropy in Biological Solids
Guangjin Hou, Sivakumar Paramasivam, Si Yan, Tatyana Polenova and Alexander J. Vega
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja3084972/aop/images/medium/ja-2012-084972_0008.gif
Journal of the American Chemical Society
DOI: 10.1021/ja3084972
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/jacsat/~4/y3Jt7S8MwHM
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Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids.
Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids.
Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids.
J Am Chem Soc. 2011 Mar 1;
Authors: Hou G, Yan S, Sun S, Han Y, Byeon IJ, Ahn J, Concel J, Samoson A, Gronenborn AM, Polenova T
We present a family of homonuclear (13)C-(13)Cmagic angle spinning spin diffusion experiments, based on R2(n)(v) (n = 1 and 2, v = 1...
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Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids
Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids
Guangjin Hou, Si Yan, Shangjin Sun, Yun Han, In-Ja L. Byeon, Jinwoo Ahn, Jason Concel, Ago Samoson, Angela M. Gronenborn and Tatyana Polenova
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja108650x/aop/images/medium/ja-2010-08650x_0001.gif
Journal of the American Chemical Society
DOI: 10.1021/ja108650x
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...
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[NMR paper] Segmental isotopic labeling for structural biological applications of NMR.
Segmental isotopic labeling for structural biological applications of NMR.
Related Articles Segmental isotopic labeling for structural biological applications of NMR.
Methods Mol Biol. 2004;278:47-56
Authors: Cowburn D, Shekhtman A, Xu R, Ottesen JJ, Muir TW
This chapter describes the preparation of precursor domains for the formation of multidomain segmentally labeled proteins by protein ligation.
Mahalanobis distance correlation: A novel approach for quantitating changes in multidimensional NMR spectra in biological applications
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