Login / Signup

SABRE hyperpolarization of nicotinamide derivatives and their molecular dynamics properties.

Quy Son LuuQuynh Thi NguyenHung Ngo ManhSeokki YunJiwon KimUyen Thi DoKeunhong JeongSang Uck LeeSeunghyun Lee
Published in: The Analyst (2024)
Signal amplification by reversible exchange hyperpolarization explores the chemical structure and kinetic properties of nicotinamide derivatives. N -Benzyl nicotinamide and nicotinic acid hydrazide compounds display relatively fast dissociation rates of approximately 7-8 s -1 and long proton T 1 relaxation times of 5-20 s, respectively. Consequently, these substrates exhibit remarkable signal enhancements, reaching approximately 175 and 102 fold, respectively, underscoring the efficacy of the hyperpolarization technique in elucidating the behavior of these compounds.
Keyphrases
  • molecular dynamics
  • density functional theory
  • structure activity relationship
  • electron transfer
  • nucleic acid
  • single molecule