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 Understanding and solving abnormal peak splitting in 3D HCCH-TOCSY and HCC(CO)NH-TOCSY |
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Apr 02, 2020 - 6:25 PM - by nmrlearner
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Understanding and solving abnormal peak splitting in 3D HCCH-TOCSY and HCC(CO)NH-TOCSY
Abstract
The 3D HCCH-TOCSY and HCC(CO)NH-TOCSY experiments provide through bond connectivity and are used for side-chain chemical shift assignment by solution-state NMR. Careful design and implementation of the pulse sequence are key to the successful application of the technique particularly when trying to extract the maximum information out of challenging biomolecules. Here we investigate the source of and propose solutions for abnormal peak splitting ranging from 152 to 80Â*Hz and below that were found in three popular TOCSY-based experiment types: H(F1)â??C(F2)â??DIPSIâ??H(F3), C(F1)â??DIPSIâ??C(F2)â??H(F3), and C(F1)â??DIPSIâ??N(F2)â??HN(F3). Peak splitting occurs in the indirect C(F1) or C(F2) dimension before DIPSI and analyses indicate that the artifacts are resulted mainly from the DIPSI transforming a double spin order \(2{C}_{1y}{C}_{2x}\) from 13Câ??13C scalar 1JCC coupling during t1 into observable megnetization. The splitting is recapitulated by numerical simulation and approaches are proposed to remove it. Adding a pure delay of 3.7Â*ms immediately before DIPSI is a simple and effective strategy to achieve 3D HCCH-TOCSY and HCC(CO)NH-TOCSY spectra free of splitting with full crosspeak intensity.
Source: Journal of Biomolecular NMR
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0 Replies | 7 Views
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[NMR paper] Optimisation of Synovial Fluid Collection and Processing for NMR Metabolomics and LC-MS/MS Proteomics. |
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Apr 02, 2020 - 6:25 PM - by nmrlearner
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Optimisation of Synovial Fluid Collection and Processing for NMR Metabolomics and LC-MS/MS Proteomics.
Related Articles Optimisation of Synovial Fluid Collection and Processing for NMR Metabolomics and LC-MS/MS Proteomics.
J Proteome Res. 2020 Mar 31;:
Authors: Anderson JR, Phelan MM, Rubio-Martinez LM, Fitzgerald MM, Jones SW, Clegg PD, Peffers MJ
Abstract
Synovial fluid (SF) is of great interest for the investigation of orthopaedic pathologies as it is in close proximity to various tissues which are primarily altered during these disease processes and can be collected using minimally invasive protocols. Multi 'omic' approaches are commonplace although little consideration is often given for multiple analysis techniques at sample collection. Nuclear magnetic resonance (NMR) metabolomics and liquid chromatography tandem mass spectrometry (LC-MS/MS) proteomics are two complementary techniques particularly suited to the study of SF. However, currently there are no agreed standard protocols which are published for SF collection and processing for use with NMR metabolomic analysis. Furthermore, the large protein concentration dynamic range present within SF can mask the detection of lower abundance proteins in proteomics. Whilst combinational ligand libraries (ProteoMinerTM columns) have been developed to reduce this dynamic range, their reproducibility when used in conjunction with SF, or... [Read More]
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0 Replies | 4 Views
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The past, present, and future of 1.26 T2 |
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Apr 01, 2020 - 3:54 PM - by nmrlearner
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From The DNP-NMR Blog:
The past, present, and future of 1.26 T2
This article is not directly related to DNP-NMR spectroscopy but offers some very valuable insight how to optimize acquisition parameters.
Rovnyak, David. “The Past, Present, and Future of 1.26 T2.” Concepts in Magnetic Resonance Part A 47A, no. 2 (March 2018): e21473.
https://doi.org/10.1002/cmr.a.21473.
This mini-*review considers the scientific and historical development of the constant 1.26T2, which represents the acquisition time for which the signal-*to-*noise ratio of a decaying exponential (with time constant T2) is a maximum in the presence of thermal noise. While first reported in 1977, interest in this result greatly increased after about the year 2000, when it began to influence thinking in nonuniform sampling, sensitivity, and pulse sequence design. Overall, 1.26T2 has become a lens through which to view the evolution of NMR data acquisition and processing. An enduring lesson of the 1.26T2 story is the value of describing and analyzing the properties of magnetic resonance signals in the time domain prior to any further spectral analysis and processing, a concept which is at the core of many modern analytic techniques.
Go to The DNP-NMR Blog for more info.
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0 Replies | 5 Views
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