1H NMR study of molecular dynamics of acetylcholine chloride

Świergiel, Jolanta; Piślewski, N.; Medycki, W.; Hołderna-Natkaniec, K.; Milia, F.

doi:10.1007/bf03166808

Cited by 4 publications

(2 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For betaine anhydrous, E a value for the rotation of methyl groups (25.0 kJ/mol) is considerably larger than those for the typical methyl groups. − However, such value is similar to those of methyl groups in multimethylated organic compounds such as tetramethylammonium halides . The E a value for whole trimethylamine group rotation (55.3 kJ/mol) agreed well with those for similar groups in choline halides although such value is much larger than those in betaine phosphate, betaine phosphite and their mixtures, , and acetylcholine chloride . Such discrepancy may result from the differences in crystal packings and thus steric hindrance for the rotation of the whole trimethylamine group.…”

Section: Resultsmentioning

confidence: 61%

“…49 The E a value for whole trimethylamine group rotation (55.3 kJ/mol) agreed well with those for similar groups in choline halides 50 although such value is much larger than those in betaine phosphate, 31 betaine phosphite 32 and their mixtures, 33,51 and acetylcholine chloride. 52 Such discrepancy may result from the differences in crystal packings and thus steric hindrance for the rotation of the whole trimethylamine group. The calculated average interproton distance for the methyl groups was 1.781 ((0.001) Å from the C value for methyl group rotation (6.56 Â 10 9 rad s À2 ).…”

Section: Proton Spinàlattice Relaxation In the Laboratorymentioning

confidence: 99%

See 1 more Smart Citation

Comprehensive Solid-State NMR Analysis Reveals the Effects of N-Methylation on the Molecular Dynamics of Glycine

et al. 2011

View full text Add to dashboard Cite

Molecular dynamics of metabolites are important for their interactions and functions. To understand the structural dependence of molecular dynamics for N-methylated glycines, we comprehensively measured the (13)C and (1)H spin-lattice relaxation times for sarcosine, N,N-dimethylglycine, betaine, and betaine hydrochloride over a temperature range of 178-460 K. We found that the reorientations of methyl groups were observed for all these molecules, whereas reorientations of whole trimethylamine groups were detected in betaines. While similar rotational properties were observed for methyl groups in N,N-dimethylglycine and those in betaine, three methyl groups in betaine hydrochloride had different motional properties (E(a) ≈ 20.5 kJ/mol, τ(0) ≈ 1.85 × 10(-13) s; E(a) ≈ 13.9 kJ/mol, τ(0) ≈ 2.1 × 10(-12) s; E(a) ≈ 15.8 kJ/mol, τ(0) ≈ 1.1 × 10(-12) s). N,N-Dimethylglycine showed a phase transition at 348.5 K with changed relaxation behavior for methyl groups showing distinct E(a) and τ(0) values. The DIPSHIFT experiments showed that CH(3) and CH(2) moieties in these molecules had dipolar-dephasing curves similar to these moieties in alanine and glycine. The activation energies for CH(3) rotations positively correlated with the number of substituted methyl groups. These findings provided useful information for the structural dependence of molecular dynamics for N-methylated glycines and demonstrated solid-state NMR as a useful tool for probing the structure-dynamics relationships.

show abstract

Section: Resultsmentioning

confidence: 61%

Section: Proton Spinàlattice Relaxation In the Laboratorymentioning

confidence: 99%

Comprehensive Solid-State NMR Analysis Reveals the Effects of N-Methylation on the Molecular Dynamics of Glycine

et al. 2011

View full text Add to dashboard Cite

show abstract

Spectroscopic Determination of Acetylcholine (ACh): A Representative Review

2023

View full text Add to dashboard Cite

Acetylcholine (ACh) is one of the most crucial neurotransmitters of the cholinergic system found in vertebrates and invertebrates and is responsible for many processes in living organisms. Disturbances in ACh transmission are closely related to dementia in Alzheimer’s and Parkinson’s disease. ACh in biological samples is most often determined using chromatographic techniques, radioenzymatic assays, enzyme-linked immunosorbent assay (ELISA), or potentiometric methods. An alternative way to detect and determine acetylcholine is applying spectroscopic techniques, due to low limits of detection and quantification, which is not possible with the methods mentioned above. In this review article, we described a detailed overview of different spectroscopic methods used to determine ACh with a collection of validation parameters as a perspective tool for routine analysis, especially in basic research on animal models on central nervous system. In addition, there is a discussion of examples of other biological materials from clinical and preclinical studies to give the whole spectrum of spectroscopic methods application. Descriptions of the developed chemical sensors, as well as the use of flow technology, were also presented. It is worth emphasizing the inclusion in the article of multi-component analysis referring to other neurotransmitters, as well as the description of the tested biological samples and extraction procedures. The motivation to use spectroscopic techniques to conduct this type of analysis and future perspectives in this field are briefly discussed. Graphical Abstract

show abstract