Rapid determination of n-6 and n-3 fatty acid ratios in cereal grains and forages by 1H NMR spectroscopy

2016 ◽  
Vol 96 (5) ◽  
pp. 730-733 ◽  
Author(s):  
D. Prema ◽  
J. Jensen ◽  
J.L. Pilfold ◽  
T.D. Turner ◽  
K.K. Donkor ◽  
...  

Herein we describe a new method to rapidly determine the n-6/n-3 fatty acid ratios in cereal grains and forages (hydroponically-grown cereal sprouts and haylage) using 1H nuclear magnetic resonance (NMR) spectroscopy. This NMR method was found to be consistent with more established but time-consuming gas chromatographic methods (R = 0.994).

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1546 ◽  
Author(s):  
Elena Shumilina ◽  
Christian Andreasen ◽  
Zahra Bitarafan ◽  
Alexander Dikiy

A wheat field was sprayed with a dosage of 1.1 kg a.i./ha Roundup PowerMax 10 days before harvest. The 1H Nuclear Magnetic Resonance (NMR) spectroscopy was used for the detection and quantification of the glyphosate (GLYP) in dried wheat spikelets, leaves, and stems. The quantification was done by the integration of the CH2-P groups doublet at 3.00 ppm with good linearity. The GLYP content varied between different samples and parts of the plant. On average, the largest content of herbicide was found in leaves (20.0 mg/kg), followed by stems (6.4 mg/kg) and spikelets (6.3 mg/kg). Our study shows that the 1H-NMR spectroscopy can be a rapid and reliable tool for GLYP detection and quantification in the field studies.


2006 ◽  
Vol 89 (4) ◽  
pp. 1071-1076 ◽  
Author(s):  
Giovanna Vlahov

Abstract Linear models were selected from a large data set acquired for Italian olive oil samples by quantitative 13C nuclear magnetic resonance (NMR) spectroscopy with distortionless enhancement by polarization transfer (DEPT). The models were used to determine the composition of the 2 fatty acid pools esterifying the 1,3- and 2-positions of triacylglycerols. The linear models selected proved that the 1,3- and 2-distribution of saturated, oleate, and linoleate chains in olive oil triacylglycerols deviated from the random distribution pattern to an extent that depended on the concentration of the fatty acid in the whole triacylglycerol. To calculate the fatty acid composition of the 1,3- and 2-positions of olive oil triacylglycerols, the equations of the selected linear models were applied to the fatty acid percentages determined by gas chromatography. These data were compared with the values predicted by the computer method (used to determine the theoretical amounts of triacylglycerols), which is based on the 1,3-random-2-random theory of the fatty acid distribution in triacylglycerols. The biggest differences were found in the linoleate chain, which is the chain that deviated the most from a random distribution pattern. The results confirmed that the 1,3-random-2-random distribution theory provides an approximate method for determining the structure of triacylglycerols; however, the linear models calculated by the direct method that applies 13C NMR spectroscopy represent a more precise measurement of the composition of the 2 fatty acid pools esterifying the 1,3- and 2-positions of triacylglycerols.


1984 ◽  
Vol 30 (3) ◽  
pp. 426-432 ◽  
Author(s):  
J R Bales ◽  
D P Higham ◽  
I Howe ◽  
J K Nicholson ◽  
P J Sadler

Abstract Numerous low-Mr metabolites--including creatinine, citrate, hippurate, glucose, ketone bodies, and various amino acids--have been identified in 400- and 500-MHz proton nuclear magnetic resonance (1H NMR) spectra of intact human urine. The presence of many of these was related to the specific condition of the donors: humans in different physiological states (resting, fasting, or post-exercise) and pathological conditions (e.g., diabetes mellitus, cadmium-induced renal dysfunction). We have also monitored the metabolism of simple nonendogenous compounds (methanol and ethanol) and of acetaminophen. The pH-dependencies of the NMR chemical shifts of some urine components are reported. Our studies show that high-resolution 1H NMR spectroscopy provides a fast, simple method for "fingerprint" identification of urinary compounds. In some cases, analytes can be quantified by standard additions or by comparing integrated peak areas for the metabolites with those for creatinine. Determinations of creatinine by 1H NMR spectroscopy compared well with those by an independent chemical assay based on the Jaffé reaction.


Author(s):  
Т.А. ШАХРАЙ ◽  
О.С. АГАФОНОВ ◽  
Е.П. ВИКТОРОВА ◽  
Е.В. ЛИСОВАЯ ◽  
Е.В. ВЕЛИКАНОВА ◽  
...  

Рассчитаны затраты на определение кислотного числа (КЧ) в жидких подсолнечных лецитинах импульсным методом ядерного магнитного резонанса (ЯМР), разработанным авторами, и арбитражным способом в соответствии с ГОСТ 32052–2013. Установлено, что в зависимости от оснащенности предприятия определение КЧ лецитинов импульсным методом ЯМР в 1,17–4,64 раза эффективнее по сравнению с арбитражным способом. Экономический эффект от внедрения метода ЯМР при определении КЧ для 1000 образцов лецитина при наличии на предприятии ЯМР-анализатора АМВ-1006 М с учетом его модернизации составит 1815750 р., а в случае приобретения предприятием ЯМР-анализатора – 330250 р. Экономический эффект от внедрения инструментального способа определения КЧ лецитинов с применением импульсного метода ЯМР достигается за счет сокращения затрат на химическую посуду, реактивы и оплату труда персонала лаборатории. The cost of determining the acid number (AN) of liquid sunflower lecithins developed by the authors of the pulsed method of nuclear magnetic resonance (NMR) and arbitration method in accordance with GOST 32052–2013 are calculated. It was found that, depending on the equipment of the enterprise, the determination of AN lecithins by the pulsed NMR method is 1,17–4,64 times more effective compared to the arbitration method. The economic effect of the introduction of the NMR method in determining the AN for 1000 samples of lecithin in the presence of the enterprise NMR analyzer AMV-1006 M, taking into account its modernization will be 1815750 rubles, and in the case of the acquisition of the enterprise NMR analyzer – 330250 rubles. The economic effect of the introduction of an instrumental method for determining the AN lecithins using the pulsed NMR method is achieved by reducing the cost of chemical utensils, reagents and labor of laboratory staff.


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