Use of NMR techniques for toxic organophosphorus compound profiling

Koskela, Harri

doi:10.1016/j.jchromb.2009.10.030

Cited by 37 publications

(19 citation statements)

References 141 publications

(143 reference statements)

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“…The magnitudes of chemical shifts ( δ ) turned to be the order of parts of the operating frequency per million (10 −6 )[26]-[29]. …”

Section: Methodsmentioning

confidence: 99%

Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Sharma¹,

Tiwari²,

Gaur³

2012

J Biomed Res

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The purpose of this study was to investigate the nuclear magnetic resonance (NMR) assignments of hydrolyzed products extracted from human blood plasma. The correlations between chemical, functional and structural properties of highly toxic pesticides were investigated using the PreADME analysis. We observed that toxic pesticides possessed higher molecular weight and, more hydrogen bond donors and acceptors when compared with less toxic pesticides. The occurrence of functional groups and structural properties was analyzed using 1H-NMR. The 1H-NMR spectra of the phosphomethoxy class of pesticides were characterized by methyl resonances at 3.7-3.9 ppm (δ) with the coupling constants of 11-16 Hz (JP-CH3). In phosphoethoxy pesticides, the methyl resonance was about 1.4 ppm (δ) with the coupling constant of 10 Hz (JP-CH2) and the methylene resonances was 4.2-4.4 ppm (δ) with the coupling constant of 0.8 Hz (JP-CH3), respectively. Our study shows that the values of four parameters such as chemical shift, coupling constant, integration and relaxation time correlated with the concentration of toxic pesticides, and can be used to characterise the proton groups in the molecular structures of toxic pesticides.

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“…The magnitudes of chemical shifts ( δ ) turned to be the order of parts of the operating frequency per million (10 −6 )[26]-[29]. …”

Section: Methodsmentioning

confidence: 99%

Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Sharma¹,

Tiwari²,

Gaur³

2012

J Biomed Res

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“…The coupling constant between magnetically non-identical phosphorus nuclei was first estimated to be the same as with compounds 2 and 4, where it was measured to be 17. 9 Hz.…”

Section: Analysis Of Compoundmentioning

confidence: 99%

“…[6] Several powerful NMR methods in determination of the structures of organophosphorus compounds have been published. [7][8][9] In cases of decomposing compounds, the decomposition products can be used to identify the original chemicals. In CW studies, analysis of decomposition products is safer than handling the actual agents.…”

Section: Introductionmentioning

confidence: 99%

Complete ¹H, ¹³C{¹H}, and ³¹P NMR spectral parameters of some pyrophosphates

Haapaniemi

2017

Magnetic Reson in Chemistry

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The H, C{ H}, and P NMR spectral parameters of some pyrophosphates were determined in CDCl . The most complicated H spectrum can be solved fully only as (A MN)R XX'R '(MNA )', where R (= -N(CH ) ) is coupled only to phosphorus (X). Second-order coupling between phosphorus was found and solved with iterative analysis. A signal shape of one of the carbon resonance cannot be explained only with couplings. Explanation for exceptional shape was searched from molecular modeling results. Copyright © 2017 John Wiley & Sons, Ltd.

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“…Während in den ersten Ringversuchen noch eindimensionale Experimente wie 31P‐NMR mit Standardaddition dominierten, sind es heute inverse 2D‐NMR‐Experimente wie 1H‐31P‐HSQC/HMQC und Cosy/Tocsy, die entscheidende Hinweise auf Struktur und Konnektivität liefern 4. Dabei nutzen die Labore NMR‐Spektrometer mit 500‐ oder 600‐MHz und Cryoprobenköpfen.…”

Section: Analytische Techniken In Den Opcw‐ringversuchenunclassified

Could Carbonaceous Impurities in Reduced Graphenes be Responsible for Some of Their Extraordinary Electrocatalytic Activities?

Wang

Ambrosi

Pumera

2013

Chemistry An Asian Journal

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Use of NMR techniques for toxic organophosphorus compound profiling

Cited by 37 publications

References 141 publications

Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Complete ¹H, ¹³C{¹H}, and ³¹P NMR spectral parameters of some pyrophosphates

Could Carbonaceous Impurities in Reduced Graphenes be Responsible for Some of Their Extraordinary Electrocatalytic Activities?

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Use of NMR techniques for toxic organophosphorus compound profiling

Cited by 37 publications

References 141 publications

Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Complete 1H, 13C{1H}, and 31P NMR spectral parameters of some pyrophosphates

Could Carbonaceous Impurities in Reduced Graphenes be Responsible for Some of Their Extraordinary Electrocatalytic Activities?

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Complete ¹H, ¹³C{¹H}, and ³¹P NMR spectral parameters of some pyrophosphates