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List of Figures
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List of Figures
Figure 2.1 Principle of the NMR Thermometer............................................................................... 7
Figure 4.1 The Submenu Bar: Solvent. .......................................................................................... 11
Figure 4.2 Edit Solvent Parameters. .............................................................................................. 12
Figure 4.3 The Submenu Lock. ...................................................................................................... 12
Figure 4.4 Edit Lock Parameters.................................................................................................... 13
Figure 4.5 Edte Window: NMR Thermometer monitoring mode (disabled, top), regulation mode
(enabled, middle) and the selection of both modes in the Configuration menu of the
edte window (bottom)....................................................................................................
14
Figure 4.6 Selection of the Auto Phase Algorithm.......................................................................... 14
Figure 4.7 Selftune warning about PID parameters misfit.............................................................. 14
Figure 4.8 Starting the selftune procedure from the edte window.................................................. 15
Figure 4.9 Selftune in Progess. ...................................................................................................... 16
Figure 4.10 Monitoring several BSMS values during a temperature jump. ...................................... 17
Figure 4.11 TopSpin status bar with NMR Thermometer enabled. .................................................. 17
Figure 4.12 Monitoring of the sensor and the sample temperature in edte during a TOCSY
experiment ....................................................................................................................
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Figure 5.1 Adding New Solvents. ................................................................................................... 19
Figure 5.2 Assign Signals to Type of Signal (Signal, Lock, Temperature). .................................... 20
Figure 5.3 Dialog for importing temperature shift value files. ......................................................... 20
Figure 5.4 Example of a shift-temperature file in .xml format......................................................... 20
Figure 5.5 Temperature shift values filled in. ................................................................................. 21
Figure 5.6 Suggested compounds for the NMR Thermometer and samples in aqueous solution
(D2O 5 – 100%), their properties and estimated concentration. Fully deuterated DSS
and TSP are currently not available but will be synthesized on Bruker’s request at
small amounts only for internal tests.............................................................................
21
Figure 5.7 Approximate dynamic range of field lock (blue) vs. the NMR Thermometer signal
(red) if the S/N of the frequency lock signal is sufficient (> 200:1)................................
23
Figure 5.8 Typical concentrations required for the NMR Thermometer compound. If the NMR
Thermometer compound is used with pure D2O as solvent, the higher concentration
of the thermometer compound is required due to the high dynamic range of the
intensity of both lock compounds. .................................................................................
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Figure 6.1 Overlay of a 1H spectrum of 2 mM sucrose (standard sample) measured at 600
MHz (TXI probe) and 800 MHz (TCI CryoProbe)..........................................................
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Figure 6.2 Overlay of 15N HSQC spectra (overview: left part) of 0.5 mM ubiquitin 9:1 H2O/
D2O...............................................................................................................................
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Figure 6.3 Overlay of NOESY-HSQC (blue), TOCSY-HSQC (orange) and CPMG-HSQC
(green) spectra of 0.5mM ubiquitin in 95:5% H2O/D2O measured at 800MHz TCI
CP. ................................................................................................................................
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Figure 6.4 1H NMR spectra on a liver sample with sodium acetate added.................................... 29
Figure 6.5 Comparison of TOCSY experiments of a liver sample with sodium acetate added
measured with HR-MAS at 4 kHz spinning speed. .......................................................
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