Sequential assignment of NMR spectra of peptides at natural isotopic abundance with Zero and Ultra-Low Field-TOCSY

2021 ◽  
Author(s):  
Alexey S. Kiryutin ◽  
Ivan V. Zhukov ◽  
Fabien Ferrage ◽  
G Bodenhausen ◽  
Alexandra V. Yurkovskaya ◽  
...  
Keyword(s):  
High Field ◽  
Nmr Spectra ◽  
Correlation Spectroscopy ◽  
Sequential Assignment ◽  
Isotopic Abundance ◽  
Natural Isotopic Abundance ◽  
Low Field ◽  
Total Correlation ◽  
High Resolution Nmr ◽  
Novel Method

A novel method dubbed ZULF-TOCSY results from the combination of Zero and Ultra-Low Field (ZULF) with high-field, high-resolution NMR, leading to a generalization of the concept of total correlation spectroscopy...

Beiträge zur Chemie des Siliciums und Germaniums, XXXIX [1]. Darstellung, Eigenschaften und 29Si-NMR-Spektren von höheren Kaliumsilanylen KSinH2n+1 / Contributions to the Chemistry of Silicon and Germanium, XXXIX [1]. Preparation, Properties and 29Si-NMR Spectra of Higher Potassium Silanyls

1985 ◽  
Vol 40 (10) ◽  
pp. 1301-1305 ◽  
Author(s):  
Franz Fehér ◽  
Michael Krancher
Keyword(s):  
High Field ◽  
Nmr Spectra ◽  
The Other ◽  
29Si Nmr ◽  
Reaction Conditions ◽  
Low Field ◽  
Field Shift ◽  
29Si Nmr Spectra ◽  
Silicon And Germanium

Diluted solutions of potassium disilanyl, 2-potassium trisilanyl and 2-potassium isotetrasilanyl in m onoglym e have been prepared from potassium silyl and di- or trisilane under suitable reaction conditions. The purity of the silanyls varies between 95 and 99%. Their stability increases from potassium di- to 2-potassium isotetrasilanyl. The 29Si NMR spectra exhibit a strong high field shift for the metal substituted silicon atoms and a m oderate low field shift for the other silicon atoms compared with the signals of the corresponding silanes.

Statistical Total Correlation Spectroscopy Editing of1H NMR Spectra of Biofluids: Application to Drug Metabolite Profile Identification and Enhanced Information Recovery

2009 ◽  
Vol 81 (15) ◽  
pp. 6458-6466 ◽  
Author(s):  
Caroline J. Sands ◽  
Muireann Coen ◽  
Anthony D. Maher ◽  
Timothy M. D. Ebbels ◽  
Elaine Holmes ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
Metabolite Profile ◽  
Correlation Spectroscopy ◽  
Information Recovery ◽  
Total Correlation ◽  
Drug Metabolite

NMR-Spektroskopie an paramagnetischen Komplexen, XIX 13C-und 1H-NMR-Zugang zu gewinkelten Titanocenen/NMR Spectroscopy on Paramagnetic Complexes, XIX 13C and 1H NMR Access to Bent Titanocenes

1978 ◽  
Vol 33 (11) ◽  
pp. 1274-1277 ◽  
Author(s):  
Frank H. Köhler ◽  
Daniel Cozak
Keyword(s):  
Gas Phase ◽  
1H Nmr ◽  
High Field ◽  
Nmr Spectra ◽  
Membered Ring ◽  
Proton Exchange ◽  
Paramagnetic Nmr ◽  
Ligand Dissociation ◽  
H Nmr ◽  
Low Field

Abstract From [(RC5H4)2TiCl]2, R = H (1), CH3 (2) and C2H5 (3), (C5H5)2TiBH4 (4) and (C5H5)2Ti(CH3CN)Cl (5) the first paramagnetic 13C and 1H NMR spectra in the series of bent titanocenes have been obtained. Broad signals shifted to low field originate from the cyclopentadienyl protons while the corresponding 13C signals appear at high field relative to a diamagnetic reference. This is ascribed to π-polarisation which dominates the transfer of unpaired electrons onto the five-membered ring while σ-polarisation delocalizes them onto other ligands. The NMR shifts indicate that titanocene halides are antiferromagnetically coupled in solution, the extent depending on the solvent and on five-membered ring substituents. In the gas phase only monomers are found by mass spectroscopy. Paramagnetic NMR further reveals proton exchange in 4 and ligand dissociation in 5.

Peptides and proteins in a confined environment: NMR spectra at natural isotopic abundance

2007 ◽  
Vol 13 (5) ◽  
pp. 342-347 ◽  
Author(s):  
Annalisa Pastore ◽  
Severo Salvadori ◽  
Piero Andrea Temussi
Keyword(s):  
Nmr Spectra ◽  
Isotopic Abundance ◽  
Natural Isotopic Abundance ◽  
Confined Environment

scholarly journals Full Correlations across Broad NMR Spectra by Two‐Field Total Correlation Spectroscopy

ChemPhysChem ◽  
2017 ◽  
Vol 18 (19) ◽  
pp. 2772-2776 ◽  
Author(s):  
Pavel Kadeřávek ◽  
Léonard Strouk ◽  
Samuel F. Cousin ◽  
Cyril Charlier ◽  
Geoffrey Bodenhausen ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
Correlation Spectroscopy ◽  
Total Correlation

scholarly journals Total Correlation Spectroscopy Across All NMR-Active Nuclei by Mixing at Zero Field

2020 ◽  
Author(s):  
Ivan V. Zhukov ◽  
Alexey S Kiryutin ◽  
Fabien Ferrage ◽  
Gerd Buntkowsky ◽  
Alexandra V. Yurkovskaya ◽  
...  
Keyword(s):  
Direct Interaction ◽  
Building Blocks ◽  
Polarization Transfer ◽  
Correlation Spectroscopy ◽  
Complex Mixtures ◽  
Zero Field ◽  
Spin Networks ◽  
Low Field ◽  
Total Correlation ◽  
Isotropic Mixing

Multidimensional Nuclear Magnetic Resonance (NMR) is based on the combination of well-established building blocks for polarization transfer. These blocks are used to design correlation experiments through one or a few chemical bonds or through space. Here, we introduce a building block that enables polarization transfer across all NMR-active nuclei in a coupled network of spins: isotropic mixing at Zero and Ultra-Low Field (ZULF). Exploiting mixing under ZULF-NMR conditions, heteronuclear TOtal Correlation SpectroscopY (TOCSY) experiments were developed to highlight coupled spin networks. We demonstrate <sup>1</sup>H-<sup>13</sup>C and <sup>1</sup>H-<sup>15</sup>N correlations in ZULF-TOCSY spectra of labelled amino acids, which allow one to obtain cross-peaks among all hetero-nuclei belonging to the same coupled network, even when the direct interaction between them is negligible. We also demonstrate the interest of ZULF-TOCSY to analyze complex mixtures on the supernatant of ISOGRO, a growth medium of isotope-labelled biomolecules. ZULF-TOCSY enables the quick identification of individual compounds in the mixture by their coupled spin networks. The ZULF-TOCSY method will lead to the development of a new toolbox of experiments to analyze complex mixtures by NMR.

scholarly journals Single-scan ultra-selective 1D total correlation spectroscopy

2021 ◽  
Author(s):  
Peter Kiraly ◽  
Mathias Nilsson ◽  
Gareth A. Morris ◽  
Ralph W. Adams
Keyword(s):  
Nmr Spectra ◽  
Correlation Spectroscopy ◽  
Total Correlation

Fast and highly selective GEMSTONE TOCSY deconstructs complex NMR spectra.

scholarly journals Total Correlation Spectroscopy Across All NMR-Active Nuclei by Mixing at Zero Field

2020 ◽  
Author(s):  
Ivan V. Zhukov ◽  
Alexey S Kiryutin ◽  
Fabien Ferrage ◽  
Gerd Buntkowsky ◽  
Alexandra V. Yurkovskaya ◽  
...  
Keyword(s):  
Direct Interaction ◽  
Building Blocks ◽  
Polarization Transfer ◽  
Correlation Spectroscopy ◽  
Complex Mixtures ◽  
Zero Field ◽  
Spin Networks ◽  
Low Field ◽  
Total Correlation ◽  
Isotropic Mixing

Multidimensional Nuclear Magnetic Resonance (NMR) is based on the combination of well-established building blocks for polarization transfer. These blocks are used to design correlation experiments through one or a few chemical bonds or through space. Here, we introduce a building block that enables polarization transfer across all NMR-active nuclei in a coupled network of spins: isotropic mixing at Zero and Ultra-Low Field (ZULF). Exploiting mixing under ZULF-NMR conditions, heteronuclear TOtal Correlation SpectroscopY (TOCSY) experiments were developed to highlight coupled spin networks. We demonstrate <sup>1</sup>H-<sup>13</sup>C and <sup>1</sup>H-<sup>15</sup>N correlations in ZULF-TOCSY spectra of labelled amino acids, which allow one to obtain cross-peaks among all hetero-nuclei belonging to the same coupled network, even when the direct interaction between them is negligible. We also demonstrate the interest of ZULF-TOCSY to analyze complex mixtures on the supernatant of ISOGRO, a growth medium of isotope-labelled biomolecules. ZULF-TOCSY enables the quick identification of individual compounds in the mixture by their coupled spin networks. The ZULF-TOCSY method will lead to the development of a new toolbox of experiments to analyze complex mixtures by NMR.

Statistical Total Correlation Spectroscopy Scaling for Enhancement of Metabolic Information Recovery in Biological NMR Spectra

2011 ◽  
Vol 84 (2) ◽  
pp. 1083-1091 ◽  
Author(s):  
Anthony D. Maher ◽  
Judith M. Fonville ◽  
Muireann Coen ◽  
John C. Lindon ◽  
Caroline D. Rae ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
Correlation Spectroscopy ◽  
Information Recovery ◽  
Total Correlation ◽  
Metabolic Information
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