DOSY Experiments - Emory University

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High-Resolution Diffusion-Ordered Spectroscopy (DOSY) User Guide Pub. No. 9100094300 Rev. B Copyright © 2010 Varian, Inc. 2700 Mitchell Drive Walnut Creek, CA 94598 USA http://www.varianinc.com All rights reserved. Printed in the United States. The information in this document has been carefully checked and is believed to be entirely reliable. However, no responsibility is assumed for inaccuracies. Statements in this document are not intended to create any warranty, expressed or implied. Specifications and performance characteristics of the software described in this documentation may be changed at any time without notice. Varian reserves the right to make changes in any products herein to improve reliability, function, or design. Varian does not assume any liability arising out of the application or use of any product or circuit described herein; neither does it convey any license under its patent rights nor the rights of others. Inclusion in this document does not imply that any particular feature is standard on the instrument. VnmrJ is a trademark of Varian, Inc. Other product names are trademarks or registered trademarks of their respective holders.
Contents Chapter 1 DOSY VnmrJ 3.0 Release Notes ......................................................................................... 3 Chapter 2 High-resolution Diffusion Ordered Spectroscopy (DOSY) .............................................. 5 2.1 Macros and commands in the DOSY package ............................................................ 5 2.2 General Considerations ................................................................................................ 7 2.3 Nano Probe compatibility of DOSY experiments ......................................................... 9 2.3.1 User created DOSY pulse sequences ........................................................ 10 Chapter 3 Gradient Calibration and Correction for Gradient Non-Uniformity ............................... 12 3.1 Introduction ................................................................................................................. 12 3.2 Mapping the Gradient Shape ..................................................................................... 13 3.3 Processing the Gradient Mapping Data ..................................................................... 15 3.4 Probe file entries ......................................................................................................... 17 3.5 Display and Plot Options ............................................................................................ 19 3.5.1 Show (plot) apparent D wrt position ............................................................ 19 3.5.2 Show (plot) fitted gradient shape ................................................................ 19 3.5.3 Show (plot) Fitted Signal Decay .................................................................. 20 Chapter 4 2D-DOSY Experiments ....................................................................................................... 21 4.1 Setting up basic 2D-DOSY experiments .................................................................... 21 4.2 Simple 2D DOSY Pulse Sequences ........................................................................... 23 4.2.1 Dbppste (DOSY Bipolar Pulse Pair STimulated Echo) Experiment ............ 23 4.2.2 DgcsteSL (DOSY Gradient Compensated Stimulated Echo with Spin Lock) Experiment .............................................................................................................. 24 4.2.3 The “Doneshot” Experiment ........................................................................ 26 4.2.4 Dbppsteinept (DOSY Bipolar Pulse Pair Stimulated Echo INEPT) Experiment .............................................................................................................. 27 4.3 DOSY pulse sequences for H2O samples .................................................................. 29 4.3.1 DgcsteSL_dpfgse - (DOSY Gradient Compensated Stimulated Echo with Spin Lock) Experiment Using the DPFGSE Solvent Suppression Method ............. 29 4.3.2 Dbppste_wg – (DOSY Bipolar Pulse Pair STimulated Echo) Experiment Using Watergate 3-9-19 Solvent Suppression ........................................................ 31 4.4 Convection and Convection-Compensation in Diffusion Experiments ....................... 32 4.4.1 Pulse Sequences with Convection Compensation ..................................... 35 4.4.1.1. Dbppste_cc (Bipolar Pulse Pair STimulated Echo with Convection Compensation) ..................................................................... 35 4.4.1.2. DgsteSL_cc (Gradient STimulated Echo with Spin-Lock and Convection Compensation) ..................................................................... 37 4.4.1.3 DgcsteSL_cc (Gradient Compensated STimulated Echo with Spin-Lock and Convection Compensation) ............................................ 39 4.4.1.4. Dpfgdste (Pulsed Field Gradient Double STimulated Echo) ... 41 4.4.2 Comparison of diffusion results obtained with and without convection compensation .......................................................................................................... 42 4.5 Processing 2D-DOSY experiments ............................................................................ 46 4.6 Plotting 2D-DOSY experiments .................................................................................. 48 Chapter 5 Absolute Value 3D-DOSY Experiments ............................................................................ 50 5.1 Setting up absolute value 3D-DOSY experiments ..................................................... 50 5.2 Absolute value 3D-DOSY sequences ........................................................................ 51 5.2.1 Dgcstecosy (DOSY Gradient Compensated Stimulated Echo COSY) Experiment (AV mode) ............................................................................................ 51 5.2.2 Dgcstehmqc (DOSY Gradient Compensated Stimulated Echo HMQC) Experiment (AV mode) ............................................................................................ 53 5.3 Processing 3D-DOSY experiments ............................................................................ 55 1
Page 1: High-Resolution Diffusion-Ordered S
Page 5 and 6: Chapter 1 DOSY VnmrJ 3.0 Release No
Page 7 and 8: Chapter 2 High-resolution Diffusion
Page 9 and 10: update_wrefshape Creates solvent su
Page 11 and 12: NOTE: Changing the solvent of a DOS
Page 13 and 14: The use of both expressions is requ
Page 15 and 16: 3.2 Mapping the Gradient Shape The
Page 17 and 18: Figure 1 The Acquire-Defaults and A
Page 19 and 20: Figure 3 Set of profiles measured o
Page 21 and 22: 3.5 Display and Plot Options The Pr
Page 23 and 24: Chapter 4 2D-DOSY Experiments 4.1 S
Page 25 and 26: 4.2 Simple 2D DOSY Pulse Sequences
Page 27 and 28: satfrq presaturation frequency satd
Page 29 and 30: satfrq wet probe_ saturation freque
Page 31 and 32: 4.3 DOSY pulse sequences for H2O sa
Page 33 and 34: 4.3.2 Dbppste_wg - (DOSY Bipolar Pu
Page 35 and 36: Representing convection by a crude
Page 37 and 38: 4.4.1 Pulse Sequences with Convecti
Page 39 and 40: 4.4.1.2. DgsteSL_cc (Gradient STimu
Page 41 and 42: 4.4.1.3 DgcsteSL_cc (Gradient Compe
Page 43 and 44: 4.4.1.4. Dpfgdste (Pulsed Field Gra
Page 45 and 46: Nicotinic acid amide N O NH 2 Tempe
Page 47 and 48: a b 1 G/cm D (m 2 /s*10 -10 ) 5 7 9
Page 49 and 50: Figure 16 The VNMRJ FIDDLE panel fo
Page 51 and 52: printed on the spectrum axis automa
Page 53 and 54:
Figure 17. The VNMRJ Acquire/Defaul
Page 55 and 56:
5.2.2 Dgcstehmqc (DOSY Gradient Com
Page 57 and 58:
Processing Parameters: nugflag nugc
Page 59 and 60:
Chapter 6 Phase Sensitive 3D-DOSY E
Page 61 and 62:
nugcal_[1-5] a 5-membered parameter
Page 63 and 64:
dosy3Dproc 'y' - calls dosy with 3D
Page 65 and 66:
gstab optional delay for stability
Page 67 and 68:
lkgate_flg flag to gate the lock sa
Page 69 and 70:
dosy3Dproc 'y' - calls dosy with 3D
Page 71 and 72:
The integral regions have already b
Page 73 and 74:
112d('readtext',file+'/112d_text')
Page 75 and 76:
112d('reset') 112d 112d('adjust') 1
Page 77 and 78:
edosy To show the D distribution al
Page 79 and 80:
Now reprocess the data with NUG cor
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dosyproc=‘discrete’ ncomp=2 nug
Page 83 and 84:
The same QGC Doneshot data set can
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F1 (D) 4 6 8 10 12 14 16 18 5.14 Fi
Page 87 and 88:
F1 (D ) 4 6 8 10 12 14 16 18 20 22
Page 89 and 90:
F1 (D ) 2 3 4 5 6 7 8 9 10 4.0 3.9
Page 91 and 92:
Chapter 9 DOSY-Related Literature M
Page 93 and 94:
Evans, C-L., Morris, G.A., Davis, A
Page 95 and 96:
Nilsson, M. and Morris, G. A. Speed
Page 97:
Liu, M., Tang, H. Nicholson, J.K.,
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