title: Nondestructive quantification of organic compounds in whole milk without pretreatment by two-dimensional NMR spectroscopy.
abstract: In this study, various organic compounds in commercial whole milk were quantified simultaneously by 1H 1D and 1H - 13C HSQC 2D NMR spectra without any pretreatment. 2D NMR spectroscopy was applied to quantification of milk compounds for the first time. Milk fat content was easily determined to be 3.6 +/- 0.1%, and the lactose content was 47.8 +/- 1.0 mg/mL by 1H NMR spectra. From 1H-13C HSQC spectra, the concentrations of citrate, N-acetylcarbohydrates, and trimethylamine were determined to be 3.2 +/- 0.2, 2.9 +/- 0.1, and 4.0 +/- 0.6 mM, respectively. The latter two compounds were quantified in milk for the first time. Butyric acid, total monounsaturated fatty acids, and total polyunsaturated fatty acids of triacylglycerols were 6.2 +/- 0.5, 9.1 +/- 0.9, and 2.9 +/- 0.3 mM, respectively. The fatty acid compositions (mol %) of triacylglycerols were then calculated and were observed to be in good agreement with reference values. The results indicated that 1H 1D and 1H-13C HSQC 2D NMR spectroscopy is useful for the rapid and nondestructive determination of various compounds in milk.
authors.affiliation: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan.
authors.forename: Fangyu
authors.initials: F
authors.lastname: Hu
authors.forename: Kazuo
authors.initials: K
authors.lastname: Furihata
authors.forename: Yusuke
authors.initials: Y
authors.lastname: Kato
authors.forename: Masaru
authors.initials: M
authors.lastname: Tanokura
mesh_terms: D000818:Animals; D002417:Cattle; D005227:Fatty Acids / Q000032:analysis; D007785:Lactose / Q000032:analysis; D008744:Methylamines / Q000032:analysis; D008892:Milk / Q000737:chemistry*; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D014280:Triglycerides / Q000032:analysis
chemical_list: D005227:Fatty Acids; D008744:Methylamines; D014280:Triglycerides; D007785:Lactose; C023336:trimethylamine