title: The Fantastic Four: A plug 'n' play set of optimal control pulses for enhancing NMR spectroscopy.
abstract: We present highly robust, optimal control-based shaped pulses designed to replace all 90° and 180° hard pulses in a given pulse sequence for improved performance. Special attention was devoted to ensuring that the pulses can be simply substituted in a one-to-one fashion for the original hard pulses without any additional modification of the existing sequence. The set of four pulses for each nucleus therefore consists of 90° and 180° point-to-point (PP) and universal rotation (UR) pulses of identical duration. These 1ms pulses provide uniform performance over resonance offsets of 20kHz ((1)H) and 35kHz ((13)C) and tolerate reasonably large radio frequency (RF) inhomogeneity/miscalibration of ±15% ((1)H) and ±10% ((13)C), making them especially suitable for NMR of small-to-medium-sized molecules (for which relaxation effects during the pulse are negligible) at an accessible and widely utilized spectrometer field strength of 600MHz. The experimental performance of conventional hard-pulse sequences is shown to be greatly improved by incorporating the new pulses, each set referred to as the Fantastic Four (Fanta4).
authors: Department of Chemistry, Technische Universität München, Lichtenbergstrasse 4, D-85747 Garching, Germany. manoj.nimbalkar@tum.de
authors: Manoj
authors: M
authors: Nimbalkar
authors: Burkhard
authors: B
authors: Luy
authors: Thomas E
authors: TE
authors: Skinner
authors: Jorge L
authors: JL
authors: Neves
authors: Naum I
authors: NI
authors: Gershenzon
authors: Kyryl
authors: K
authors: Kobzar
authors: Wolfgang
authors: W
authors: Bermel
authors: Steffen J
authors: SJ
authors: Glaser
mesh_terms: D000465:Algorithms; D002138:Calibration; D005561:Formates / Q000737:chemistry; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012815:Signal Processing, Computer-Assisted; D013729:Terpenes / Q000737:chemistry
chemical_list: D005561:Formates; D013729:Terpenes; C030544:formic acid; C020755:hydroxycitronellal