Publication date: Available online 28 September 2015 Source:Journal of Magnetic Resonance
Author(s): V.S. Manu, Gianluigi Veglia
Sensitivity and resolution in NMR experiments are affected by magnetic field inhomogeneities (of both external and RF), errors in pulse calibration, and offset effects due to finite length of RF pulses. To remedy these problems, built-in compensation mechanisms for these experimental imperfections are often necessary. Here, we propose a new family of phase-modulated constant-amplitude broadband pulses with high compensation for RF inhomogeneity and heteronuclear coupling evolution. These pulses were optimized using a genetic algorithm (GA), which consists in a global optimization method inspired by Nature’s evolutionary processes. The newly designed ? and ? / 2 pulses belong to the ‘Type A’ (or general rotors) symmetric composite pulses. These GA-optimized pulses are relatively short compared to other general rotors and can be used for excitation and inversion, as well as refocusing pulses in spin-echo experiments. The performance of the GA-optimized pulses was assessed in Magic Angle Spinning (MAS) solid-state NMR experiments using a crystalline U – 13 C,15N NAVL peptide as well as U –13 C,15N microcrystalline ubiquitin. GA optimization of NMR pulse sequences opens a window for improving current experiments and designing new robust pulse sequences. Graphical abstract
[NMR paper] Resonance assignment of the NMR spectra of disordered proteins using a multi-objective non-dominated sorting genetic algorithm.
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Abstract
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From Mendeley Biomolecular NMR group:
The Fantastic Four: A plug 'n' play set of optimal control pulses for enhancing NMR spectroscopy.
Journal of magnetic resonance (San Diego, Calif. : 1997) (2013). Pages: 16-31. Manoj Nimbalkar, Burkhard Luy, Thomas E Skinner, Jorge L Neves, Naum I Gershenzon, Kyryl Kobzar, Wolfgang Bermel, Steffen J Glaser et al.
We present highly robust, optimal control-based shaped pulses designed to replace all 90° and 180° hard pulses in a given pulse sequence for improved performance. Special attention was devoted to ensuring that the pulses can be simply...
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[NMR paper] The Fantastic Four: A plug 'n' play set of optimal control pulses for enhancing NMR spectroscopy.
From Mendeley Biomolecular NMR group:
The Fantastic Four: A plug 'n' play set of optimal control pulses for enhancing NMR spectroscopy.
Journal of magnetic resonance (San Diego, Calif. : 1997) (2013). Pages: 16-31. Manoj Nimbalkar, Burkhard Luy, Thomas E Skinner, Jorge L Neves, Naum I Gershenzon, Kyryl Kobzar, Wolfgang Bermel, Steffen J Glaser et al.
We present highly robust, optimal control-based shaped pulses designed to replace all 90° and 180° hard pulses in a given pulse sequence for improved performance. Special attention was devoted to ensuring that the pulses can be simply...
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04-11-2013 03:08 PM
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NMR data from different experiments often contain errors; thus, automated backbone resonance assignment is a very challenging issue. In this paper, we present a method called GANA that uses a genetic algorithm to automatically perform backbone resonance assignment with a high degree of precision and recall....
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[NMR paper] Relaxation-optimized NMR spectroscopy of methylene groups in proteins and nucleic aci
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A large fraction of hydrogens in proteins and nucleic acids is of the methylene type. Their detailed study, however, in terms of structure and dynamics by NMR spectroscopy is hampered by their fast relaxation properties, which give...
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We report the development and validation of the program GENFOLD, a genetic algorithm that calculates protein structures using restraints obtained from NMR, such as distances derived from nuclear Overhauser effects, and dihedral angles derived from coupling constants. The program...
Genetic Algorithm Optimized Triply Compensated Pulses in NMR Spectroscopy
Linear Mode
