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Volumn 57, Issue 9, 2012, Pages 2619-2624

NMR analyses and diffusion coefficient determination of minor constituents of olive oil: Combined experimental and theoretical studies

Author keywords

[No Author keywords available]

Indexed keywords

CAMPESTEROL; COMPUTATIONAL STUDIES; CORRELATION EQUATION; H DIFFUSION; MINOR CONSTITUENTS; NMR ANALYSIS; NMR CHEMICAL SHIFTS; NMR SIGNALS; NMR SPECTRUM; OLIVE OIL; PHYSICOCHEMICAL PARAMETERS; QUANTUM CHEMICAL CALCULATIONS; REGRESSION EQUATION; THEORETICAL STUDY;

EID: 84866362750     PISSN: 00219568     EISSN: 15205134     Source Type: Journal    
DOI: 10.1021/je300804s     Document Type: Article
Times cited : (13)

References (34)
  • 3
    • 0034825534 scopus 로고    scopus 로고
    • Identification of α-Tocopherol Oxidation Products in Triolein at Elevated Temperatures
    • Verleyen, T.; Verhe, R.; Huyghebaert, A.; Dewettinck, K.; Greyt, W. D. Identification of α-Tocopherol Oxidation Products in Triolein at Elevated Temperatures J. Agric. Food Chem. 2001, 49, 1508-1511
    • (2001) J. Agric. Food Chem. , vol.49 , pp. 1508-1511
    • Verleyen, T.1    Verhe, R.2    Huyghebaert, A.3    Dewettinck, K.4    Greyt, W.D.5
  • 4
    • 43449119241 scopus 로고    scopus 로고
    • Densities of α-Tocopherol + Supercritical Carbon Dioxide Mixtures
    • Pecar, D.; Dolecek, V. Densities of α-Tocopherol + Supercritical Carbon Dioxide Mixtures J. Chem. Eng. Data 2008, 53, 929-932
    • (2008) J. Chem. Eng. Data , vol.53 , pp. 929-932
    • Pecar, D.1    Dolecek, V.2
  • 5
    • 0032406294 scopus 로고    scopus 로고
    • Inhibition of cholesterol absorption by plant sterols for mass intervention
    • Ikeada, I.; Sugano, M. Inhibition of cholesterol absorption by plant sterols for mass intervention Curr. Opin. Lipidol. 1998, 9 (6) 527-531
    • (1998) Curr. Opin. Lipidol. , vol.9 , Issue.6 , pp. 527-531
    • Ikeada, I.1    Sugano, M.2
  • 6
    • 0020582669 scopus 로고
    • Comparative lymphatic absorption of sitosterol, stigmasterol, and fucosterol and differential inhibition of cholesterol absorption
    • Vahouny, G. V.; Connor, W. E.; Subramaniam, S.; Lin, D. S.; Gallo, L. L. Comparative lymphatic absorption of sitosterol, stigmasterol, and fucosterol and differential inhibition of cholesterol absorption Am. J. Clin. Nutr. 1983, 37 (5) 805-809
    • (1983) Am. J. Clin. Nutr. , vol.37 , Issue.5 , pp. 805-809
    • Vahouny, G.V.1    Connor, W.E.2    Subramaniam, S.3    Lin, D.S.4    Gallo, L.L.5
  • 7
    • 0032913670 scopus 로고    scopus 로고
    • Squalene and Its Potential Clinical Uses
    • Kelly, G. S. Squalene and Its Potential Clinical Uses Altern. Med. Rev. 1999, 4, 29-36
    • (1999) Altern. Med. Rev. , vol.4 , pp. 29-36
    • Kelly, G.S.1
  • 8
    • 0031846030 scopus 로고    scopus 로고
    • Inhibition of 4-(methylnitrosamine)-1-(3-pyridyl)-1-butanone-induced lung tumorigenesis by dietary olive oil and squalene
    • Smith, T. J.; Yang, G. Y.; Seril, D. N.; Liao, J.; Kim, S. Inhibition of 4-(methylnitrosamine)-1-(3-pyridyl)-1-butanone-induced lung tumorigenesis by dietary olive oil and squalene Carcinogenesis 1998, 19, 703-706
    • (1998) Carcinogenesis , vol.19 , pp. 703-706
    • Smith, T.J.1    Yang, G.Y.2    Seril, D.N.3    Liao, J.4    Kim, S.5
  • 9
    • 77956538378 scopus 로고    scopus 로고
    • β-Sitosterol Solubility in Selected Organic Solvents
    • Wei, D.; Wang, L.; Liu, C.; Wang, B. β-Sitosterol Solubility in Selected Organic Solvents J. Chem. Eng. Data 2010, 55, 2917-2919
    • (2010) J. Chem. Eng. Data , vol.55 , pp. 2917-2919
    • Wei, D.1    Wang, L.2    Liu, C.3    Wang, B.4
  • 10
    • 65249102681 scopus 로고    scopus 로고
    • Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, β-Sitosterol, and Stigmasterol
    • Oja, V.; Chen, X.; Hajaligol, M. R.; Chan, W. G. Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, β-Sitosterol, and Stigmasterol J. Chem. Eng. Data 2009, 54, 730-734
    • (2009) J. Chem. Eng. Data , vol.54 , pp. 730-734
    • Oja, V.1    Chen, X.2    Hajaligol, M.R.3    Chan, W.G.4
  • 12
    • 77955879089 scopus 로고    scopus 로고
    • Diffusion Coefficient-Formula Weight Correlation Analysis via Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy (DOSY NMR) to Examine Acylglycerol Mixtures and Biodiesel Production
    • Socha, A. M.; Kagan, G.; Li, W.; Hopson, R.; Sello, J. K.; Williard, P. G. Diffusion Coefficient-Formula Weight Correlation Analysis via Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy (DOSY NMR) to Examine Acylglycerol Mixtures and Biodiesel Production Energy Fuels 2010, 24, 4518-4521
    • (2010) Energy Fuels , vol.24 , pp. 4518-4521
    • Socha, A.M.1    Kagan, G.2    Li, W.3    Hopson, R.4    Sello, J.K.5    Williard, P.G.6
  • 13
    • 84866364479 scopus 로고    scopus 로고
    • ACD/Labs NMR prediction software, A software for processing, analyzing and assigning 1D and 2D NMR data, Advanced Chemistry Development, Inc. Canada, see
    • ACD/Labs NMR prediction software, A software for processing, analyzing and assigning 1D and 2D NMR data, Advanced Chemistry Development, Inc., Canada, see: http://www.acdlabs.com.
  • 15
    • 0000189651 scopus 로고
    • Density-functional Thermochemistry. III. The Role of Exact Exchange
    • Becke, A. D. Density-functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 16
    • 0345491105 scopus 로고    scopus 로고
    • Development of the Colle-Salvetti Correlation Energy Formula into a Functional of the Electron Density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation Energy Formula into a Functional of the Electron Density Phys. Rev. B 1998, 37, 785-789
    • (1998) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 17
    • 26844534384 scopus 로고
    • Self-consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions
    • Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. Self-consistent Molecular Orbital Methods. XX. A Basis Set for Correlated Wave Functions J. Chem. Phys. 1980, 72, 650-654
    • (1980) J. Chem. Phys. , vol.72 , pp. 650-654
    • Krishnan, R.1    Binkley, J.S.2    Seeger, R.3    Pople, J.A.4
  • 18
    • 84988077118 scopus 로고
    • An Improved Set of MNDO Parameters for Sulfur
    • Dewar, M. J. S.; Reynolds, C. H. An Improved Set of MNDO Parameters for Sulfur J. Comput. Chem. 1986, 2, 140-143
    • (1986) J. Comput. Chem. , vol.2 , pp. 140-143
    • Dewar, M.J.S.1    Reynolds, C.H.2
  • 19
    • 0344980861 scopus 로고
    • Fifth-order Møller-Plesset Perturbation Theory: Comparison of Existing Correlation Methods and Implementation of New methods Correct to Fifth Order
    • Raghavachari, K.; Pople, J. A.; Replogle, E. S.; Head-Gordon, M. Fifth-order Møller-Plesset Perturbation Theory: Comparison of Existing Correlation Methods and Implementation of New methods Correct to Fifth Order J. Phys. Chem. 1990, 94, 5579-5586
    • (1990) J. Phys. Chem. , vol.94 , pp. 5579-5586
    • Raghavachari, K.1    Pople, J.A.2    Replogle, E.S.3    Head-Gordon, M.4
  • 20
    • 1242268874 scopus 로고    scopus 로고
    • A Comparison of Models for Calculating Nuclear Magnetic Resonance Shielding Tensors
    • Cheeseman, J. R.; Trucks, G. W.; Keith, T. A.; Frisch, M. J. A Comparison of Models for Calculating Nuclear Magnetic Resonance Shielding Tensors J. Chem. Phys. 1996, 104, 5497-5509
    • (1996) J. Chem. Phys. , vol.104 , pp. 5497-5509
    • Cheeseman, J.R.1    Trucks, G.W.2    Keith, T.A.3    Frisch, M.J.4
  • 21
    • 0001741614 scopus 로고    scopus 로고
    • A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy
    • Rablen, P. R.; Pearlman, S. A.; Finkbiner, J. A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy J. Phys. Chem. A 1999, 103, 7357-7363
    • (1999) J. Phys. Chem. A , vol.103 , pp. 7357-7363
    • Rablen, P.R.1    Pearlman, S.A.2    Finkbiner, J.3
  • 22
    • 66249125017 scopus 로고    scopus 로고
    • Calculating Accurate Proton Chemical Shifts of Organic Molecules with Density Functional Methods and Modest Basis Sets
    • Jain, R.; Bally, T.; Rablen, P. R. Calculating Accurate Proton Chemical Shifts of Organic Molecules with Density Functional Methods and Modest Basis Sets J. Org. Chem. 2009, 74, 4017-4023
    • (2009) J. Org. Chem. , vol.74 , pp. 4017-4023
    • Jain, R.1    Bally, T.2    Rablen, P.R.3
  • 23
    • 56549096241 scopus 로고    scopus 로고
    • Scaling Factors for Carbon NMR Chemical Shifts Obtained from DFT B3LYP Calculations
    • Aliev, A. E.; Courtier-Murias, D.; Zhou, S. Scaling Factors for Carbon NMR Chemical Shifts Obtained from DFT B3LYP Calculations J. Mol. Struct. (THEOCHEM) 2009, 893, 1-5
    • (2009) J. Mol. Struct. (THEOCHEM) , vol.893 , pp. 1-5
    • Aliev, A.E.1    Courtier-Murias, D.2    Zhou, S.3
  • 24
    • 79958837486 scopus 로고    scopus 로고
    • 1H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton-Proton Coupling Constants in Organic Molecules
    • 1H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton-Proton Coupling Constants in Organic Molecules J. Org. Chem. 2011, 76, 4818-4830
    • (2011) J. Org. Chem. , vol.76 , pp. 4818-4830
    • Bally, T.1    Rablen, P.R.2
  • 25
    • 84856301655 scopus 로고    scopus 로고
    • 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic and Synthetic Organic Chemistry
    • 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic and Synthetic Organic Chemistry Chem. Rev. 2012, 112, 1839-1862
    • (2012) Chem. Rev. , vol.112 , pp. 1839-1862
    • Lodewyk, M.W.1    Siebert, M.R.2    Tantillo, D.J.3
  • 26
    • 4043164887 scopus 로고    scopus 로고
    • Accurate Description of van der Waals Complexes by Density Functional Theory Including Empirical Corrections
    • Grimme, S. Accurate Description of van der Waals Complexes by Density Functional Theory Including Empirical Corrections J. Comput. Chem. 2004, 25, 1463-1476
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463-1476
    • Grimme, S.1
  • 27
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction
    • Grimme, S. Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 28
    • 77951680464 scopus 로고    scopus 로고
    • A Consistent and Accurate ab initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
    • Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A Consistent and Accurate ab initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu J. Comput. Chem. 2010, 132, 154104
    • (2010) J. Comput. Chem. , vol.132 , pp. 154104
    • Grimme, S.1    Antony, J.2    Ehrlich, S.3    Krieg, H.4
  • 29
    • 4544324597 scopus 로고    scopus 로고
    • Release 7, Molecular Modelling Program Package; Hypercube Inc. Gainesville, FL, USA
    • HyperChem Release 7, Molecular Modelling Program Package; Hypercube Inc.: Gainesville, FL, USA, 2001.
    • (2001) HyperChem
  • 31
    • 0031498272 scopus 로고    scopus 로고
    • Pulsed-Field Gradient Nuclear Magnetic Resonance as a Tool for Studying Translational Diffusion: Part 1. Basic Theory
    • Price, W. S. Pulsed-Field Gradient Nuclear Magnetic Resonance as a Tool for Studying Translational Diffusion: Part 1. Basic Theory Concepts Magn. Reson. 1997, 9, 299-336
    • (1997) Concepts Magn. Reson. , vol.9 , pp. 299-336
    • Price, W.S.1
  • 32
    • 33749012529 scopus 로고    scopus 로고
    • Agesamides A and B, Bromopyrrole Alkaloids from Sponge Agelas Species: Application of DOSY for Chemical Screening of New Metabolites
    • Tsuda, M.; Yasudo, T.; Fukushi, E.; Kawabata, J.; Sekiguchi, M.; Fromont, J.; Kobayashi, J. Agesamides A and B, Bromopyrrole Alkaloids from Sponge Agelas Species: Application of DOSY for Chemical Screening of New Metabolites Org. Lett. 2006, 8, 4235-4238
    • (2006) Org. Lett. , vol.8 , pp. 4235-4238
    • Tsuda, M.1    Yasudo, T.2    Fukushi, E.3    Kawabata, J.4    Sekiguchi, M.5    Fromont, J.6    Kobayashi, J.7
  • 33
    • 31644450477 scopus 로고    scopus 로고
    • Real-life Applications of the MULVADO Software Package for Processing DOSY NMR Data
    • Huo, R.; Geurts, C.; Brands, J.; Wehrens, R.; Buydens, M. C. Real-life Applications of the MULVADO Software Package for Processing DOSY NMR Data Magn. Reson. Chem. 2006, 44, 110-117
    • (2006) Magn. Reson. Chem. , vol.44 , pp. 110-117
    • Huo, R.1    Geurts, C.2    Brands, J.3    Wehrens, R.4    Buydens, M.C.5
  • 34
    • 34548603598 scopus 로고    scopus 로고
    • In Situ Pulsed-field Gradient NMR Determination of the Size of Oil Bodies in Vegetable Seeds. Analysis of the Effect of the Gradient Pulse Length
    • Guillermo, A.; Bardet, M. In Situ Pulsed-field Gradient NMR Determination of the Size of Oil Bodies in Vegetable Seeds. Analysis of the Effect of the Gradient Pulse Length Anal. Chem. 2007, 79, 6718-6726
    • (2007) Anal. Chem. , vol.79 , pp. 6718-6726
    • Guillermo, A.1    Bardet, M.2


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