Overcoming line broadening in real-time pure shift NMR spectroscopy

Сентябрь 15, 2022

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Overcoming line broadening in real-time pure shift NMR spectroscopy

Содержание

2. Overcoming line broadening in real-time pure shift NMR spectroscopy ...with what? Alexandra Shchukina, Krzysztof Kazimierczuk University
3. Overcoming line broadening in real-time pure shift NMR spectroscopy ...with CS reconstruction! Alexandra Shchukina, Krzysztof Kazimierczuk
4. Pure shift NMR: what for and how Line broadening in real-time pure shift NMR CS reconstruction
5. Pure shift NMR: what for and how Line broadening in real-time pure shift NMR CS reconstruction
6. Pure shift NMR as a tool for homodecoupling K. Zangger, „Pure shift NMR”, Prog Nucl Magn
7. Spacially selective or Frequency-selective or BIRD-based pulse sequences ... Selective pulses L. Castanar, T. Parella „Broadband
8. Pseudo-2D and real-time pure shift NMR Real-time allows for „quick” measurements – suitable for e.g. unstable
9. Line broadening with concatenation
10. Line broadening with concatenation Seemingly quicker relaxation with concatenation → need for reconstruction
11. A signal, which is sparse in some representation, can be undersampled (skip measurements) and then reconstructed
12. A signal, which is sparse in some representation, can be undersampled (skip measurements) and then reconstructed
13. A signal, which is sparse in some representation, can be undersampled (skip measurements) and then reconstructed
14. Compressed Sensing – basic idea
15. Compressed Sensing – basic idea
16. Compressed Sensing – basic idea
17. Compressed Sensing – basic idea
18. Compressed Sensing – basic idea
19. Compressed Sensing – basic idea
20. Example – „Iterative soft thresholding”
21. Not only overcoming linebroadening in real-time pure shift experiments, but also: Safe extension of acquisition time
23. Скачать презентацию

Слайд 2

Overcoming line broadening in real-time pure shift NMR spectroscopy ...with what?
Alexandra

Shchukina, Krzysztof Kazimierczuk
University of Warsaw, Centre of New Technologies, Poland
Craig Butts, Ikenna Ndukwe
Bristol University, UK

Слайд 3

Overcoming line broadening in real-time pure shift NMR spectroscopy ...with CS

reconstruction!

Alexandra Shchukina, Krzysztof Kazimierczuk
University of Warsaw, Centre of New Technologies, Poland
Craig Butts, Ikenna Ndukwe
Bristol University, UK

Слайд 4

Pure shift NMR: what for and how
Line broadening in real-time

pure shift NMR
CS reconstruction as a remedy
Details of CS: the idea and its realization
Applications

Plan

Слайд 5

Pure shift NMR: what for and how
Line broadening in real-time

pure shift NMR
CS reconstruction as a remedy
Details of CS: the idea and its realization
Applications

Plan

Слайд 6

Pure shift NMR as a tool for homodecoupling
K. Zangger, „Pure shift

NMR”, Prog Nucl Magn Reson Spectrosc. 86-87 (2015) 1-20

„For the practical spectroscopist it would be ideal if he could remove all spin-spin couplings at the same time”
Richard R. Ernst, 1963

Слайд 7

Spacially selective
or
Frequency-selective
or
BIRD-based pulse sequences
...
Selective pulses
L. Castanar, T. Parella „Broadband

1H homodecoupled NMR
experiments: recent developments, methods
and applications”, Magn. Reson. Chem. 2015, 53, 399–426

Слайд 8

Pseudo-2D and real-time pure shift NMR
Real-time allows for „quick” measurements –

suitable for e.g. unstable samples

Слайд 9

Line broadening with concatenation

Слайд 10

Line broadening with concatenation
Seemingly quicker relaxation with concatenation → need for

reconstruction

Слайд 11

A signal, which is sparse in some representation, can be undersampled

(skip measurements) and then reconstructed mathematically

Compressed Sensing – basic idea

Слайд 12

A signal, which is sparse in some representation, can be undersampled

(skip measurements) and then reconstructed mathematically
for NMR: spectrum
(Fourier transform of FID)

Compressed Sensing – basic idea

Слайд 13

A signal, which is sparse in some representation, can be undersampled

(skip measurements) and then reconstructed mathematically
for NMR: spectrum
(Fourier transform of FID)

Compressed Sensing – basic idea

Слайд 14

Compressed Sensing – basic idea

Слайд 15

Compressed Sensing – basic idea

Слайд 16

Compressed Sensing – basic idea

Слайд 17

Compressed Sensing – basic idea

Слайд 18

Compressed Sensing – basic idea

Слайд 19

Compressed Sensing – basic idea

Слайд 20

Example – „Iterative soft thresholding”

Слайд 21

Not only overcoming linebroadening in real-time pure shift experiments, but also:

Safe extension of acquisition time while applying broadband decoupling (gaps in acquiring FID), with homodecoupling or without it
Safe fast-sampling techniques, e.g. ASAP sequences (submitted to ChemComm)

Other applications