Quantum Mechanical Quantitative Nuclear Magnetic Resonance Enables Digital Reference Standards at All Magnetic Fields and Enhances qNMR Sustainability

Quantum mechanics (QM)-driven 1 H iterative functionalized spin analysis produces HifSA profiles, which encode the complete 1H spin parameters (“nuclear genotype”) of analytes of interest. HifSA profiles enable the establishment of digital reference standards (dRS) that are portable, FAIR (findable...

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Veröffentlicht in:	Analytical chemistry (Washington) 2024-06, Vol.96 (24), p.9790-9798
Hauptverfasser:	Nishizaki, Yuzo, Sugimoto, Naoki, Miura, Toru, Asakura, Katsuo, Suematsu, Takako, Korhonen, Samuli-Petrus, Lehtivarjo, Juuso, Niemitz, Matthias, Pauli, Guido F.
Format:	Artikel
Sprache:	eng
Schlagworte:	analytical chemistry Antifouling substances Chemical equilibrium chemical species Difenoconazole Food additives Genotypes Magnetic Fields Magnetic Resonance Spectroscopy - methods Mixtures NMR Nuclear magnetic resonance nuclear magnetic resonance spectroscopy Parameters Phenotypes Quantum mechanics Quantum Theory Reagents Reference Standards Stereoisomerism Stereoisomers Sustainability temperature Triazoles - analysis Triazoles - chemistry
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