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010   $a9783031466847
010   $a3031466845
024 7 $a10.1007/978-3-031-46684-7
035   $a(CKB)29551327800041
035   $a(MiAaPQ)EBC31061695
035   $a(Au-PeEL)EBL31061695
035   $a(OCoLC)1417197053
035   $a(DE-He213)978-3-031-46684-7
035   $a(EXLCZ)9929551327800041
100   $a20240109d2024      u|         0
101 0 $aeng
135   $aur|||||||||||
181   $ctxt$2rdacontent
182   $cc$2rdamedia
183   $acr$2rdacarrier
200 10$aOptimising NMR Spectroscopy Through Method and Software Development /$fby Jonathan Yong
205   $a1st ed. 2024.
210  1$aCham :$cSpringer Nature Switzerland :$cImprint: Springer,$d2024.
215   $a1 online resource (307 pages)
225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5061
311 08$a9783031466830 
327   $aNMR Theory -- Pure Shift -- NMR -- POISE -- NOAH.
330   $aThis book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition. In this book, the author expands his outstanding Ph.D. thesis and provides a valuable resource for researchers, professionals, and students in the field of NMR spectroscopy. The book covers quantum mechanics basics, and topics like density operators, pulse sequences, 1D pulse acquisition, INEPT (Insensitive nuclei enhancement by polarization transfer), product operators, and 2D NMR principles. It also explores innovative experiments like States HSQC (Heteronuclear Single Quantum Coherence) and echo-antiecho HSQC with gradients. In the subsequent chapters, the author discusses Pure Shift NMR, including PSYCHE (Pure Shift Yielded by Chirp Excitation) and its optimizations, such as waveform parameterization and time-reversal methods. The 'Discrete PSYCHE' approach and Ultrafast PSYCHE-iDOSY (Diffusion-ordered spectroscopy) are also highlighted. This book presents the POISE (Parameter Optimisation by Iterative Spectral Evaluation) software for real-time NMR experiment optimization, including pulse width calibration and Ernst angle optimization, and demonstrates applications across various NMR experiments. Lastly, the book examines accelerated 2D NMR data collection and the NOAH (NMR by Ordered Acquisition using 1H detection) supersequences, emphasizing automated pulse program creation using GENESIS (GENEration of Supersequences In Silico). Covered NMR experiments include 13C sensitivity-enhanced HSQC, 15N HMQC (Heteronuclear Multiple Quantum Coherence), dual HSQC, HSQC-TOCSY (Total Correlation Spectroscopy), HMBC (Heteronuclear Multiple Bond Correlation), and ADEQUATE (Adequate Sensitivity Double-Quantum Spectroscopy).
410  0$aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5061
606   $aSpectrum analysis
606   $aAnalytical chemistry
606   $aOptical materials
606   $aSoftware engineering
606   $aChemistry, Physical and theoretical
606   $aChemistry, Physical and theoretical
606   $aSpectroscopy
606   $aAnalytical Chemistry
606   $aOptical Materials
606   $aSoftware Engineering
606   $aTheoretical Chemistry
606   $aPhysical Chemistry
615  0$aSpectrum analysis.
615  0$aAnalytical chemistry.
615  0$aOptical materials.
615  0$aSoftware engineering.
615  0$aChemistry, Physical and theoretical.
615  0$aChemistry, Physical and theoretical.
615 14$aSpectroscopy.
615 24$aAnalytical Chemistry.
615 24$aOptical Materials.
615 24$aSoftware Engineering.
615 24$aTheoretical Chemistry.
615 24$aPhysical Chemistry.
676   $a543
700   $aYong$b Jonathan$01587969
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910800114003321
996   $aOptimising NMR Spectroscopy Through Method and Software Development$93876766
997   $aUNINA