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020 _a9783031466847
_9978-3-031-46684-7
024 7 _a10.1007/978-3-031-46684-7
_2doi
050 4 _aQD95-96
072 7 _aPNFS
_2bicssc
072 7 _aSCI013050
_2bisacsh
072 7 _aPNFS
_2thema
100 1 _aYong, Jonathan.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_969372
245 1 0 _aOptimising NMR Spectroscopy Through Method and Software Development
_h[electronic resource] /
_cby Jonathan Yong.
250 _a1st ed. 2024.
264 1 _aCham :
_bSpringer Nature Switzerland :
_bImprint: Springer,
_c2024.
300 _aXXXV, 282 p. 173 illus., 131 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5061
505 0 _aNMR Theory -- Pure Shift -- NMR -- POISE -- NOAH.
520 _aThis book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition. In this book, the author expands his outstanding Ph.D. thesis and provides a valuable resource for researchers, professionals, and students in the field of NMR spectroscopy. The book covers quantum mechanics basics, and topics like density operators, pulse sequences, 1D pulse acquisition, INEPT (Insensitive nuclei enhancement by polarization transfer), product operators, and 2D NMR principles. It also explores innovative experiments like States HSQC (Heteronuclear Single Quantum Coherence) and echo-antiecho HSQC with gradients. In the subsequent chapters, the author discusses Pure Shift NMR, including PSYCHE (Pure Shift Yielded by Chirp Excitation) and its optimizations, such as waveform parameterization and time-reversal methods. The 'Discrete PSYCHE' approach and Ultrafast PSYCHE-iDOSY (Diffusion-ordered spectroscopy) are also highlighted. This book presents the POISE (Parameter Optimisation by Iterative Spectral Evaluation) software for real-time NMR experiment optimization, including pulse width calibration and Ernst angle optimization, and demonstrates applications across various NMR experiments. Lastly, the book examines accelerated 2D NMR data collection and the NOAH (NMR by Ordered Acquisition using 1H detection) supersequences, emphasizing automated pulse program creation using GENESIS (GENEration of Supersequences In Silico). Covered NMR experiments include 13C sensitivity-enhanced HSQC, 15N HMQC (Heteronuclear Multiple Quantum Coherence), dual HSQC, HSQC-TOCSY (Total Correlation Spectroscopy), HMBC (Heteronuclear Multiple Bond Correlation), and ADEQUATE (Adequate Sensitivity Double-Quantum Spectroscopy).
650 0 _aSpectrum analysis.
_969373
650 0 _aAnalytical chemistry.
_969374
650 0 _aOptical materials.
650 0 _aSoftware engineering.
_933953
650 0 _aChemistry, Physical and theoretical.
_965282
650 0 _aPhysical chemistry.
_965285
650 1 4 _aSpectroscopy.
_969375
650 2 4 _aAnalytical Chemistry.
_969376
650 2 4 _aOptical Materials.
650 2 4 _aSoftware Engineering.
_933953
650 2 4 _aTheoretical Chemistry.
_966619
650 2 4 _aPhysical Chemistry.
_965285
710 2 _aSpringerLink (Online service)
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9783031466830
776 0 8 _iPrinted edition:
_z9783031466854
776 0 8 _iPrinted edition:
_z9783031466861
830 0 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5061
_966370
856 4 0 _uhttps://doi.org/10.1007/978-3-031-46684-7
912 _aZDB-2-CMS
912 _aZDB-2-SXC
999 _c57138
_d57138