Event Title

Quantitative Determination of Acetaminophen by q-NMR. Comparison of Analysis with TopSpin software. MestReNova software, and ERETIC Method

Location

D34000

Start Date

1-4-2016 2:00 PM

End Date

1-4-2016 2:15 PM

Description

Quantitative 1H-NMR technique (q-NMR) provides a rapid, selective, and accurate method for quantification of wide variety of organic compounds using minimal solvent, thus making it an environment friendly technique. In this study, quantitative analysis of acetaminophen (active ingredient of Tylenol) was accomplished by q-NMR technique using a Bruker 300 MHz NMR instrument. Two sets of concentrations of acetaminophen in deuterated dimethyl sulfoxide – ranging from 10 mM to 100 mM and 1 mM to 10 mM – were analyzed using ethanol as an internal standard in septuplicate to show the robustness of the method. The peak area of three sets of protons in acetaminophen – methyl group peak and two sets of aromatic ring peaks – were quantified with respect to the methyl group peak area of the internal standard, ethanol. The peak integration data were analyzed by TopSpin software of the NMR spectrophotometer as well as by MestReNova software from Mestrelab Research. The calibration curves of peak area vs. concentration for both sets of concentrations and three different sets of protons showed linear relationship with regression values ranging from 0.9979 to 0.9998. More than half of the data showed percent standard deviation values under 1%, indicating that the data had high precision. The q-NMR experiments were repeated without utilizing the internal standard. Instead, the ERETIC method (Electronic Reference To access In-vivo Concentrations), in which a reference signal was generated by an electronic device, was utilized, which showed a difference of up to 15% with the internal reference method.

Comments

Dr. Shelly Kumar is a Professor of Chemistry in the College of Arts and Sciences. Mr. Michael Villanueva and Mr. Joseph Zuklic are graduate students in Analytical Chemistry in the College of Arts and Sciences.

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Apr 1st, 2:00 PM Apr 1st, 2:15 PM

Quantitative Determination of Acetaminophen by q-NMR. Comparison of Analysis with TopSpin software. MestReNova software, and ERETIC Method

D34000

Quantitative 1H-NMR technique (q-NMR) provides a rapid, selective, and accurate method for quantification of wide variety of organic compounds using minimal solvent, thus making it an environment friendly technique. In this study, quantitative analysis of acetaminophen (active ingredient of Tylenol) was accomplished by q-NMR technique using a Bruker 300 MHz NMR instrument. Two sets of concentrations of acetaminophen in deuterated dimethyl sulfoxide – ranging from 10 mM to 100 mM and 1 mM to 10 mM – were analyzed using ethanol as an internal standard in septuplicate to show the robustness of the method. The peak area of three sets of protons in acetaminophen – methyl group peak and two sets of aromatic ring peaks – were quantified with respect to the methyl group peak area of the internal standard, ethanol. The peak integration data were analyzed by TopSpin software of the NMR spectrophotometer as well as by MestReNova software from Mestrelab Research. The calibration curves of peak area vs. concentration for both sets of concentrations and three different sets of protons showed linear relationship with regression values ranging from 0.9979 to 0.9998. More than half of the data showed percent standard deviation values under 1%, indicating that the data had high precision. The q-NMR experiments were repeated without utilizing the internal standard. Instead, the ERETIC method (Electronic Reference To access In-vivo Concentrations), in which a reference signal was generated by an electronic device, was utilized, which showed a difference of up to 15% with the internal reference method.