Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations

Mohaček-Grošev, Vlasta; Foretić, Blaženka; Gamulin, Ozren

doi:10.1016/j.saa.2011.01.012

Cited by 7 publications

(5 citation statements)

References 13 publications

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“…The band at 1590 and 1401 cm –1 correspond to the stretching vibrations of the CC bond on the benzene rings. The presence of these bands was consistent with IR data reported previously. , In the infrared spectra of 2-PAM-Cl, the bands at 3085, 1502, and 1016 cm –1 correspond to the stretching vibrations of C–H bonds, the stretching vibrations of CN bonds, and the bending vibrations of the C–H bonds on the pyridine ring . Additionally, in the FT-IR spectrum of 2-PAM@bio-MOF-1, bands appeared at 1687 and 1428 cm –1 , which were attributed to bio-MOF-1.…”

Section: Resultssupporting

confidence: 90%

“… 32 , 33 In the infrared spectra of 2-PAM-Cl, the bands at 3085, 1502, and 1016 cm –1 correspond to the stretching vibrations of C–H bonds, the stretching vibrations of C=N bonds, and the bending vibrations of the C–H bonds on the pyridine ring. 34 Additionally, in the FT-IR spectrum of 2-PAM@bio-MOF-1, bands appeared at 1687 and 1428 cm –1 , which were attributed to bio-MOF-1. The bands appeared at 3085, 1502, and 1016 cm –1 , which were attributed to 2-PAM-Cl.…”

Section: Resultsmentioning

confidence: 93%

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Cation-Exchangeable Pralidoxime Chloride@bio-MOF-1 as a Treatment for Nerve Agent Poisoning and Sulfur Mustard Skin Poisoning in Animals

Yang

Liu

et al. 2022

ACS Omega

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A 2-PAM@bio-MOF-1 composite was prepared by cationic exchange of counter N , N -dimethylammonium cations in the pores of the anionic, biocompatible metal–organic framework (bio-MOF-1) with pralidoxime chloride (2-PAM-Cl) by impregnation. In vitro drug release measurements revealed that the release rate of 2-PAM from 2-PAM@bio-MOF-1 in simulated body fluid (SBF) was more than four-fold higher than that in deionized water, indicating that the presence of endogenous cations in SBF triggered the release of 2-PAM through cation exchange. The release of 2-PAM was rapid within the first 10 h but was much slower over the period of 10–50 h. At room temperature, the maximum release rate of 2-PAM was 88.5% (15 mg of 2-PAM@bio-MOF-1 in 1 mL of SBF), indicating that the drug was efficiently released from the composite MOF in SBF. In simulated gastric fluid, 64.3% of 2-PAM was released from bio-MOF-1 into the simulated gastric fluid after 50h. This suggested that 2-PAM@bio-MOF-1 might be effective for enabling the slow release of 2-PAM in the human body. Indeed, the maximum reactivation rate of acetylcholinesterase in sarin-poisoned mice reached 82.5%. In addition, 2-PAM@bio-MOF-1 demonstrated the ability to adsorb and remove sulfur mustard (HD) in solution and from the skin of guinea pigs.

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Section: Resultssupporting

confidence: 90%

Section: Resultsmentioning

confidence: 93%

Cation-Exchangeable Pralidoxime Chloride@bio-MOF-1 as a Treatment for Nerve Agent Poisoning and Sulfur Mustard Skin Poisoning in Animals

Yang

Liu

et al. 2022

ACS Omega

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“…In region c , the bands of 839, 845, and 890 cm −1 belonged to ring breathing vibration mode. [ 24,30 ] However, only three of them, TMB‐4 (1199 cm −1 , 1180 cm −1 ), HI‐6 (1161 cm −1 , 1127 cm −1 , 1104 cm −1 ), and PAM‐Cl (1234 cm −1 ), could be distinguished each other according to their respective characteristic fingerprint peaks in the mixed samples containing five reactivators.…”

Section: Resultsmentioning

confidence: 99%

A novel determination method of quaternary ammonium oxime reactivators and their blood–brain barrier permeability evaluation by surface‐enhanced Raman spectrometry

Xie

et al. 2022

J Raman Spectroscopy

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“…They concluded that the N-O stretching frequencies for I andK are 1082 cm -1 and 1074 cm -1 , respectively and C=N stretching frequencies are 1649 cm -1 and 1611 cm -1 , respectively for I and K . These wavenumbers indicateI can behave as a strong acid when compared to K [34]. Fig.…”

Section: Introductionmentioning

confidence: 91%

NHC Ligated Oximes: Exploring the Electronic Structure and Properties

Dar¹,

Dubey²,

Singh³

et al. 2021

Preprint

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Compounds with (NHC)→E coordination bond are being generated and their chemistry is being explored over the past 15 years (NHC= N-heterocyclic carbenes, E = main group elements). Many examples of species with N-heterocyclic olefins (NHOs) are known, which exhibit umpolung chemistry. Increasing number of chemical species, which carry NHC as a functional unit, are being reported. There is a need to understand their electronic structure. Alkylated imidazole oximes (cationic, found useful in medicinal chemistry) ((NHC)-C(H)=N-OH(+)) carry NHC unit as a functional group. Similarly, the corresponding nitroso-N-heterocyclic olefins ((NHC)=C(R)-N=O) also carry NHC as a functional unit. It is important to establish the interaction between the NHC unit and the rest part of the molecule in these species. Density functional (DFT) study has been carried out to explore the electronic structure details of a few oximes and nitroso NHOs. The results indicate that a structure with NHC→C coordination interaction can be considered as one of the resonance structures of these species.

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Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations

Cited by 7 publications

References 13 publications

Cation-Exchangeable Pralidoxime Chloride@bio-MOF-1 as a Treatment for Nerve Agent Poisoning and Sulfur Mustard Skin Poisoning in Animals

Cation-Exchangeable Pralidoxime Chloride@bio-MOF-1 as a Treatment for Nerve Agent Poisoning and Sulfur Mustard Skin Poisoning in Animals

A novel determination method of quaternary ammonium oxime reactivators and their blood–brain barrier permeability evaluation by surface‐enhanced Raman spectrometry

NHC Ligated Oximes: Exploring the Electronic Structure and Properties

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