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Protocols

SpinEvolution specifications

Information


Unique identifier OMICS_03385
Name SpinEvolution
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes

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Publication for SpinEvolution

SpinEvolution citations

 (7)
library_books

Fibril polymorphism affects immobilized non amyloid flanking domains of huntingtin exon1 rather than its polyglutamine core

2017
Nat Commun
PMCID: 5458082
PMID: 28537272
DOI: 10.1038/ncomms15462

[…] and CcpNmr Analysis, with the error in the intensities evaluated based on the noise peaks present in empty spectral regions. Numerical simulations of the DIPSHIFT experiments were performed with the SpinEvolution programme. Chemical shift referencing to 4,4-dimethyl-4-silapentane-1-sulfonic acid (for 13C) was performed by indirect referencing via the 13C signals of adamantane. Secondary shift cal […]

library_books

Welcoming natural isotopic abundance in solid state NMR: probing π stacking and supramolecular structure of organic nanoassemblies using DNP† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc02709a Click here for additional data file.

2016
PMCID: 5354064
PMID: 28451235
DOI: 10.1039/c6sc02709a

[…] In order to relate the experimental polarization buildup curves to the crystal structure and evaluate their consistency, the expected polarization buildups were simulated numerically with SPINEVOLUTION, taking into account the known distances from the crystal structure of cyclo-FF. As a first step, the behavior of S3 and [S3] under the experimental conditions employed here was investig […]

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Polyglutamine Amyloid Core Boundaries and Flanking Domain Dynamics in Huntingtin Fragment Fibrils Determined by Solid State Nuclear Magnetic Resonance

2014
Biochemistry
PMCID: 4211650
PMID: 25280367
DOI: 10.1021/bi501010q
call_split See protocol

[…] us incrementation of an R1817 symmetry sequence (89 kHz RF power), at the expense of 100 kHz continuous wave 1H decoupling. The experimental data curves were analyzed using numerical simulations with SpinEvolution, optimizing both the (apparent) N–H distance and exponential damping during the R sequence mixing time. The apparent N–H distances were converted into dipolar coupling constants (in kilo […]

library_books

Monitoring the Electrochemical Processes in the Lithium–Air Battery by Solid State NMR Spectroscopy

2013
PMCID: 3905693
PMID: 24489976
DOI: 10.1021/jp410429k

[…] sing a static probe with a solid echo pulse excitation (62 kHz nutation frequency; 30 s relaxation delay). MAS spinning frequencies are specified in the figure captions. Spectra were fit using either SPINEVOLUTION spin dynamics simulation program or the line shape analysis tool in the Bruker software Topspin. […]

library_books

An efficient NMR method for the characterisation of 14N sites through indirect 13C detection

2013
Phys Chem Chem Phys
PMCID: 3695532
PMID: 23589073
DOI: 10.1039/c3cp50787d

[…] space dipolar couplings, quadrupole interaction and higher-second quadrupole–dipole terms.,, The result is a complicated density operator. It has been verified by means of numerical simulations using SPINEVOLUTION that both 14N single quantum (TN1±1 and TN2±1) and double quantum (TN2±2) terms are generated with efficiencies well in excess of 20% with respect to the initial equilibrium magnetizatio […]

library_books

Solid State NMR Characterization of Autofluorescent Fibrils Formed by the Elastin Derived Peptide GVGVAGVG

2011
PMCID: 3089984
PMID: 21456595
DOI: 10.1021/bm101486s

[…] ep.() To facilitate stable spinning of samples in the 3.2 mm rotors, WISE experiments were carried out at an MAS spinning speed of 10 kHz. Simulations of the 1H dipolar spectra were carried out using Spinevolution.() […]


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SpinEvolution institution(s)
Department of Chemistry, MIT/Harvard Center for Magnetic Resonance, Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, MA, USA

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