Study of Molecular Dynamics in Paracetamol and Sulfanilamide Polymorphs by 1H NMR Relaxometry

Sinyavsky, N.; Mershiev, I.

doi:10.1007/s00723-022-01472-0

Appl Magn Reson

2022

DOI: 10.1007/s00723-022-01472-0

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Study of Molecular Dynamics in Paracetamol and Sulfanilamide Polymorphs by 1H NMR Relaxometry

N. Sinyavsky

I. Mershiev

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2024

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“…7 Chiba et al 9 (2022) evaluated the use of T 1 and T 2 relaxation times to characterize salt and free base of procaine and tetracaine API. Sinyavsky and Mershiev (2023) 23 evaluated the molecular dynamics of paracetamol and sulfanilamide polymorphs using T 1 and T 2 relaxation times. Tsuji et al (2023) used TD-NMR to monitor continuously the hydration behavior of hydrophilic tablets.…”

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NMR Longitudinal Rotating Frame Relaxation Time (T_1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

Almeida,

Garcia,

Ticona

et al. 2024

Anal. Chem.

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Nuclear magnetic resonance (NMR) longitudinal rotating frame relaxation time (T1ρ), rarely used in low-field NMR, can be more effective than conventional T1 and T2 relaxation times to differentiate polymorphic forms of solid pharmaceuticals. This could be attributed to T1ρ sensibility to structural and molecular dynamics that can be enhanced by changing the strength of the oscillating magnetic field (B 1 ) of spinlock pulses. Here, we compared the capacity of T1, T2, and T1ρ to differentiate inactive (A) and active (C) crystalline forms of the World Health Organization essential drug Mebendazole. The results showed that T1 and T2 values of both forms were statistically identical at 0.47 T. Conversely, T1ρ of both forms measured with weak spinlock B 1 fields, ranging from 0.08 to 0.80 mT were statistically different in the same spectrometer. The T1ρ also has the limit of detection to detect the presence of at least 10% of inactive A form in the active C form. Therefore, T1ρ, measured with weak spinlock B 1 fields can be an effective, streamlined, and complementary approach for characterizing not only solid active pharmaceutical ingredients but other solid-state materials as well.

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mentioning

confidence: 99%

NMR Longitudinal Rotating Frame Relaxation Time (T_1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

Almeida,

Garcia,

Ticona

et al. 2024

Anal. Chem.

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Study of Molecular Dynamics in Paracetamol and Sulfanilamide Polymorphs by 1H NMR Relaxometry

Cited by 1 publication

References 17 publications

NMR Longitudinal Rotating Frame Relaxation Time (T_1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

NMR Longitudinal Rotating Frame Relaxation Time (T_1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

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Study of Molecular Dynamics in Paracetamol and Sulfanilamide Polymorphs by 1H NMR Relaxometry

Cited by 1 publication

References 17 publications

NMR Longitudinal Rotating Frame Relaxation Time (T1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

NMR Longitudinal Rotating Frame Relaxation Time (T1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

Contact Info

Product

Resources

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NMR Longitudinal Rotating Frame Relaxation Time (T_1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept

NMR Longitudinal Rotating Frame Relaxation Time (T_1ρ) with a Weak Spin Locking Field as an Approach to Characterize Solid-State Active Pharmaceutical Ingredients: Proof of Concept