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Volumn 196, Issue , 2018, Pages 56-65

A molecular dynamics simulation study on the conformational stability of amylose-linoleic acid complex in water

Author keywords

Amylose; Complexation; Gromacs; Linoleic acid; Molecular dynamics simulation; Stearic acid

Indexed keywords

COMPLEXATION; CONFORMATIONS; CYCLODEXTRINS; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULES; STEARIC ACID;

EID: 85047080736     PISSN: 01448617     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbpol.2018.04.102     Document Type: Article
Times cited : (90)

References (54)
  • 1
    • 84946416234 scopus 로고    scopus 로고
    • GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
    • Abraham, M.J., Murtola, T., Schulz, R., Páll, S., Smith, J.C., Hess, B., et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1 (2015), 19–25.
    • (2015) SoftwareX , vol.1 , pp. 19-25
    • Abraham, M.J.1    Murtola, T.2    Schulz, R.3    Páll, S.4    Smith, J.C.5    Hess, B.6
  • 2
    • 85047068398 scopus 로고    scopus 로고
    • Effects of chemical and enzymatic modifications on the starch-inclusion complex formation. Thesis
    • Arijaje, E., Effects of chemical and enzymatic modifications on the starch-inclusion complex formation. Thesis. 2015.
    • (2015)
    • Arijaje, E.1
  • 3
    • 85014435322 scopus 로고    scopus 로고
    • Encapsulation and antioxidant activity of ascorbyl palmitate with maize starch during pasting
    • Bamidele, O., Duodu, K., Emmambux, M., Encapsulation and antioxidant activity of ascorbyl palmitate with maize starch during pasting. Carbohydrate Polymers 166 (2017), 202–208.
    • (2017) Carbohydrate Polymers , vol.166 , pp. 202-208
    • Bamidele, O.1    Duodu, K.2    Emmambux, M.3
  • 4
    • 0015020325 scopus 로고
    • Amylose: A non-helical biopolymer in aqueous solution
    • Banks, W., Greenwood, C., Amylose: A non-helical biopolymer in aqueous solution. Polymer 12:2 (1971), 141–145.
    • (1971) Polymer , vol.12 , Issue.2 , pp. 141-145
    • Banks, W.1    Greenwood, C.2
  • 5
    • 68249147647 scopus 로고    scopus 로고
    • Free Energies from Adaptive Reaction Coordinate Forces (FEARCF): An application to ring puckering
    • Barnett, C.B., Naidoo, K.J., Free Energies from Adaptive Reaction Coordinate Forces (FEARCF): An application to ring puckering. Molecular Physics 107:8–12 (2009), 1243–1250.
    • (2009) Molecular Physics , vol.107 , Issue.8-12 , pp. 1243-1250
    • Barnett, C.B.1    Naidoo, K.J.2
  • 6
    • 0002775934 scopus 로고
    • Interaction models for water in relation to protein hydration
    • Springer Netherlands
    • Berendsen, H., Postma, J.P., van Gunsteren, W.F., Hermans, J., Interaction models for water in relation to protein hydration. Intermolecular forces, 1981, Springer, Netherlands, 331–342.
    • (1981) Intermolecular forces , pp. 331-342
    • Berendsen, H.1    Postma, J.P.2    van Gunsteren, W.F.3    Hermans, J.4
  • 8
    • 45149146560 scopus 로고
    • Crystallization behavior of amylose-V complexes: Structure-property relationships
    • Biliaderis, C.G., Galloway, G., Crystallization behavior of amylose-V complexes: Structure-property relationships. Carbohydrate Research 189:0 (1989), 31–48.
    • (1989) Carbohydrate Research , vol.189 , pp. 31-48
    • Biliaderis, C.G.1    Galloway, G.2
  • 9
    • 0001226812 scopus 로고
    • Influence of lipids on the thermal and mechanical properties of concentrated starch gels
    • Biliaderis, C.G., Tonogai, J.R., Influence of lipids on the thermal and mechanical properties of concentrated starch gels. J Agric Food Chem 39:5 (1991), 833–840.
    • (1991) J Agric Food Chem , vol.39 , Issue.5 , pp. 833-840
    • Biliaderis, C.G.1    Tonogai, J.R.2
  • 11
    • 84987228293 scopus 로고
    • Physical characterization of amylose-fatty acid complexes in starch granules and in solution
    • Bulpin, P., Welsh, E., Morris, E., Physical characterization of amylose-fatty acid complexes in starch granules and in solution. Starch-Stärke 34:10 (1982), 335–339.
    • (1982) Starch-Stärke , vol.34 , Issue.10 , pp. 335-339
    • Bulpin, P.1    Welsh, E.2    Morris, E.3
  • 14
    • 84987224463 scopus 로고
    • Some effects of starch lipids on the thermal and rheological properties of wheat starch
    • Eliasson, A.C., Carlson, T.G., Larsson, K., Some effects of starch lipids on the thermal and rheological properties of wheat starch. Starch-Stärke 33:4 (1981), 130–134.
    • (1981) Starch-Stärke , vol.33 , Issue.4 , pp. 130-134
    • Eliasson, A.C.1    Carlson, T.G.2    Larsson, K.3
  • 15
    • 84983517728 scopus 로고    scopus 로고
    • Molecular modeling tools to characterize the structure and complexation behavior of carbohydrates
    • Feng, T., Zhu, X., Campanella, O.H., Molecular modeling tools to characterize the structure and complexation behavior of carbohydrates. Current Opinion in Food Science 9:Suppl. C (2016), 62–69.
    • (2016) Current Opinion in Food Science , vol.9 , pp. 62-69
    • Feng, T.1    Zhu, X.2    Campanella, O.H.3
  • 16
    • 33644872988 scopus 로고    scopus 로고
    • Amylose- lipid complexes as controlled lipid release agents during starch gelatinization and pasting
    • Gelders, G.G., Goesaert, H., Delcour, J.A., Amylose- lipid complexes as controlled lipid release agents during starch gelatinization and pasting. Journal of Agricultural and Food Chemistry 54:4 (2006), 1493–1499.
    • (2006) Journal of Agricultural and Food Chemistry , vol.54 , Issue.4 , pp. 1493-1499
    • Gelders, G.G.1    Goesaert, H.2    Delcour, J.A.3
  • 17
    • 0027465005 scopus 로고
    • Molecular modelling of the specific interactions involved in the amylose complexation by fatty acids
    • Godet, M., Tran, V., Delage, M., Buléon, A., Molecular modelling of the specific interactions involved in the amylose complexation by fatty acids. International Journal of Biological Macromolecules 15:1 (1993), 11–16.
    • (1993) International Journal of Biological Macromolecules , vol.15 , Issue.1 , pp. 11-16
    • Godet, M.1    Tran, V.2    Delage, M.3    Buléon, A.4
  • 18
    • 0001836472 scopus 로고
    • Crystallization of amylose—Fatty acid complexes prepared with different amylose chain lengths
    • Godet, M., Bizot, H., Buléon, A., Crystallization of amylose—Fatty acid complexes prepared with different amylose chain lengths. Carbohydrate Polymers 27:1 (1995), 47–52.
    • (1995) Carbohydrate Polymers , vol.27 , Issue.1 , pp. 47-52
    • Godet, M.1    Bizot, H.2    Buléon, A.3
  • 19
    • 0030443483 scopus 로고    scopus 로고
    • Crystalline amylose-fatty acid complexes: Morphology and crystal thickness
    • Godet, M., Bouchet, B., Colonna, P., Gallant, D., Buleon, A., Crystalline amylose-fatty acid complexes: Morphology and crystal thickness. Journal of Food Science 61:6 (1996), 1196–1201.
    • (1996) Journal of Food Science , vol.61 , Issue.6 , pp. 1196-1201
    • Godet, M.1    Bouchet, B.2    Colonna, P.3    Gallant, D.4    Buleon, A.5
  • 20
    • 79952507673 scopus 로고    scopus 로고
    • A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers
    • Hansen, H.S., Hünenberger, P.H., A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers. Journal of Computational Chemistry 32:6 (2011), 998–1032.
    • (2011) Journal of Computational Chemistry , vol.32 , Issue.6 , pp. 998-1032
    • Hansen, H.S.1    Hünenberger, P.H.2
  • 22
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
    • Hess, B., Kutzner, C., Van Der Spoel, D., Lindahl, E., GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation. Journal of Chemical Theory and Computation 4:3 (2008), 435–447.
    • (2008) Journal of Chemical Theory and Computation , vol.4 , Issue.3 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 23
    • 34548251130 scopus 로고
    • Potential calculation and some applications
    • Langley Research Center Hampton, Va
    • Hockney, R.W., Potential calculation and some applications. 1970, Langley Research Center, Hampton, Va.
    • (1970)
    • Hockney, R.W.1
  • 24
    • 84987210300 scopus 로고
    • Characterization of potato starch and its monoglyceride complexes
    • Hoover, R., Hadziyev, D., Characterization of potato starch and its monoglyceride complexes. Starch-Stärke 33:9 (1981), 290–300.
    • (1981) Starch-Stärke , vol.33 , Issue.9 , pp. 290-300
    • Hoover, R.1    Hadziyev, D.2
  • 25
    • 0028968326 scopus 로고
    • Some factors determining the thermal properties of amylose inclusion complexes with fatty acids
    • Karkalas, J., Ma, S., Morrison, W.R., Pethrick, R.A., Some factors determining the thermal properties of amylose inclusion complexes with fatty acids. Carbohydrate Research 268:2 (1995), 233–247.
    • (1995) Carbohydrate Research , vol.268 , Issue.2 , pp. 233-247
    • Karkalas, J.1    Ma, S.2    Morrison, W.R.3    Pethrick, R.A.4
  • 26
    • 14044276825 scopus 로고    scopus 로고
    • Utilization of amylose- lipid complexes as molecular nanocapsules for conjugated linoleic acid
    • Lalush, I., Bar, H., Zakaria, I., Eichler, S., Shimoni, E., Utilization of amylose- lipid complexes as molecular nanocapsules for conjugated linoleic acid. Biomacromolecules 6:1 (2005), 121–130.
    • (2005) Biomacromolecules , vol.6 , Issue.1 , pp. 121-130
    • Lalush, I.1    Bar, H.2    Zakaria, I.3    Eichler, S.4    Shimoni, E.5
  • 27
    • 0033804746 scopus 로고    scopus 로고
    • Effect of partial gelatinization and lipid addition on α-amylolysis of barley starch granules
    • Lauro, M., Poutanen, K., Forssell, P., Effect of partial gelatinization and lipid addition on α-amylolysis of barley starch granules. Cereal Chemistry 77:5 (2000), 595–601.
    • (2000) Cereal Chemistry , vol.77 , Issue.5 , pp. 595-601
    • Lauro, M.1    Poutanen, K.2    Forssell, P.3
  • 28
    • 0034559485 scopus 로고    scopus 로고
    • Mobility of lipid in complexes of amylose-fatty acids by deuterium and C-13 solid state NMR
    • Lebail, P., Buleon, A., Shiftan, D., Marchessault, R.H., Mobility of lipid in complexes of amylose-fatty acids by deuterium and C-13 solid state NMR. Carbohydrate Polymers 43:4 (2000), 317–326.
    • (2000) Carbohydrate Polymers , vol.43 , Issue.4 , pp. 317-326
    • Lebail, P.1    Buleon, A.2    Shiftan, D.3    Marchessault, R.H.4
  • 29
    • 0000487835 scopus 로고
    • Relation between complex formation of starch with monoglycerides and firmness of bread
    • Legendijk, J., Relation between complex formation of starch with monoglycerides and firmness of bread. Cereal Science Today, 15(10), 1970, 354.
    • (1970) Cereal Science Today , vol.15 , Issue.10 , pp. 354
    • Legendijk, J.1
  • 30
    • 24144451813 scopus 로고    scopus 로고
    • A new GROMOS force field for hexopyranose-based carbohydrates
    • Lins, R.D., Hünenberger, P.H., A new GROMOS force field for hexopyranose-based carbohydrates. Journal of Computational Chemistry 26:13 (2005), 1400–1412.
    • (2005) Journal of Computational Chemistry , vol.26 , Issue.13 , pp. 1400-1412
    • Lins, R.D.1    Hünenberger, P.H.2
  • 32
    • 0002097250 scopus 로고
    • Starch lipids and their effect on rice starch properties
    • Maningat, C., Juliano, B., Starch lipids and their effect on rice starch properties. Starch-Stärke 32:3 (1980), 76–82.
    • (1980) Starch-Stärke , vol.32 , Issue.3 , pp. 76-82
    • Maningat, C.1    Juliano, B.2
  • 33
    • 84960130274 scopus 로고    scopus 로고
    • Structural characterization and thermal properties of amylose-fatty acid complexes prepared at different temperatures
    • Marinopoulou, A., Papastergiadis, E., Raphaelides, S.N., Kontominas, M.G., Structural characterization and thermal properties of amylose-fatty acid complexes prepared at different temperatures. Food Hydrocolloids 58 (2016), 224–234.
    • (2016) Food Hydrocolloids , vol.58 , pp. 224-234
    • Marinopoulou, A.1    Papastergiadis, E.2    Raphaelides, S.N.3    Kontominas, M.G.4
  • 35
    • 33947156247 scopus 로고    scopus 로고
    • On the effect of surface active agents and their structure on the temperature-induced changes of normal and waxy wheat starch in aqueous suspension. Part I. Pasting and calorimetric studies
    • Mira, I., Persson, K., Villwock, V.K., On the effect of surface active agents and their structure on the temperature-induced changes of normal and waxy wheat starch in aqueous suspension. Part I. Pasting and calorimetric studies. Carbohydrate Polymers 68:4 (2007), 665–678.
    • (2007) Carbohydrate Polymers , vol.68 , Issue.4 , pp. 665-678
    • Mira, I.1    Persson, K.2    Villwock, V.K.3
  • 36
    • 14044250019 scopus 로고    scopus 로고
    • Comparative study of small linear and branched α-glucans using size exclusion chromatography and static and dynamic light scattering
    • Motawia, M.S., Damager, I., Olsen, C.E., Møller, B.L., Engelsen, S.B., Hansen, S., et al. Comparative study of small linear and branched α-glucans using size exclusion chromatography and static and dynamic light scattering. Biomacromolecules 6:1 (2005), 143–151.
    • (2005) Biomacromolecules , vol.6 , Issue.1 , pp. 143-151
    • Motawia, M.S.1    Damager, I.2    Olsen, C.E.3    Møller, B.L.4    Engelsen, S.B.5    Hansen, S.6
  • 37
    • 0012612540 scopus 로고    scopus 로고
    • Fine structure of corn amylose and amylopectin fractions with various molecular weights
    • Mua, J., Jackson, D., Fine structure of corn amylose and amylopectin fractions with various molecular weights. Journal of Agricultural and Food Chemistry 45:10 (1997), 3840–3847.
    • (1997) Journal of Agricultural and Food Chemistry , vol.45 , Issue.10 , pp. 3840-3847
    • Mua, J.1    Jackson, D.2
  • 38
    • 4344568236 scopus 로고    scopus 로고
    • Effect of annealing on starch–palmitic acid interaction
    • Nakazawa, Y., Wang, Y.-J., Effect of annealing on starch–palmitic acid interaction. Carbohydrate Polymers 57:3 (2004), 327–335.
    • (2004) Carbohydrate Polymers , vol.57 , Issue.3 , pp. 327-335
    • Nakazawa, Y.1    Wang, Y.-J.2
  • 39
    • 22744435583 scopus 로고    scopus 로고
    • Influence of selected parameters of starch gelatinization and hydrolysis on stability of amylose-lipid complexes
    • Nebesny, E., Rosicka, J., Tkaczyk, M., Influence of selected parameters of starch gelatinization and hydrolysis on stability of amylose-lipid complexes. Starch-Stärke 57:7 (2005), 325–331.
    • (2005) Starch-Stärke , vol.57 , Issue.7 , pp. 325-331
    • Nebesny, E.1    Rosicka, J.2    Tkaczyk, M.3
  • 40
    • 84930227346 scopus 로고    scopus 로고
    • Effects of stearic acid and gamma irradiation, alone and in combination, on pasting properties of high amylose maize starch
    • Ocloo, F.C.K., Minnaar, A., Emmambux, N.M., Effects of stearic acid and gamma irradiation, alone and in combination, on pasting properties of high amylose maize starch. Food Chemistry 190 (2016), 12–19.
    • (2016) Food Chemistry , vol.190 , pp. 12-19
    • Ocloo, F.C.K.1    Minnaar, A.2    Emmambux, N.M.3
  • 41
    • 4444282928 scopus 로고    scopus 로고
    • A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
    • Oostenbrink, C., Villa, A., Mark, A.E., Van Gunsteren, W.F., A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6. Journal of Computational Chemistry 25:13 (2004), 1656–1676.
    • (2004) Journal of Computational Chemistry , vol.25 , Issue.13 , pp. 1656-1676
    • Oostenbrink, C.1    Villa, A.2    Mark, A.E.3    Van Gunsteren, W.F.4
  • 42
    • 0019707626 scopus 로고
    • Polymorphic transitions in single crystals: A new molecular dynamics method
    • Parrinello, M., Rahman, A., Polymorphic transitions in single crystals: A new molecular dynamics method. Journal of Applied Physics 52:12 (1981), 7182–7190.
    • (1981) Journal of Applied Physics , vol.52 , Issue.12 , pp. 7182-7190
    • Parrinello, M.1    Rahman, A.2
  • 43
    • 84896697255 scopus 로고    scopus 로고
    • Comparative molecular dynamics simulation studies for determining factors contributing to the thermostability of chemotaxis protein CheY
    • Paul, M., Hazra, M., Barman, A., Hazra, S., Comparative molecular dynamics simulation studies for determining factors contributing to the thermostability of chemotaxis protein CheY. Journal of Biomolecular Structure & Dynamics 32:6 (2014), 928–949.
    • (2014) Journal of Biomolecular Structure & Dynamics , vol.32 , Issue.6 , pp. 928-949
    • Paul, M.1    Hazra, M.2    Barman, A.3    Hazra, S.4
  • 44
    • 84949254904 scopus 로고    scopus 로고
    • Revision of the GROMOS 56A6CARBO force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains
    • Plazinski, W., Lonardi, A., Hünenberger, P.H., Revision of the GROMOS 56A6CARBO force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains. Journal of Computational Chemistry 37:3 (2016), 354–365.
    • (2016) Journal of Computational Chemistry , vol.37 , Issue.3 , pp. 354-365
    • Plazinski, W.1    Lonardi, A.2    Hünenberger, P.H.3
  • 45
    • 33646497419 scopus 로고    scopus 로고
    • X-ray diffraction study of crystal transformations in spherulitic amylose/lipid complexes from jet-cooked starch
    • Shogren, R.L., Fanta, G.F., Felker, F.C., X-ray diffraction study of crystal transformations in spherulitic amylose/lipid complexes from jet-cooked starch. Carbohydrate Polymers 64:3 (2006), 444–451.
    • (2006) Carbohydrate Polymers , vol.64 , Issue.3 , pp. 444-451
    • Shogren, R.L.1    Fanta, G.F.2    Felker, F.C.3
  • 46
    • 1642367502 scopus 로고    scopus 로고
    • Starch-composition, fine structure and architecture
    • Tester, R.F., Karkalas, J., Qi, X., Starch-composition, fine structure and architecture. Journal of Cereal Science 39:2 (2004), 151–165.
    • (2004) Journal of Cereal Science , vol.39 , Issue.2 , pp. 151-165
    • Tester, R.F.1    Karkalas, J.2    Qi, X.3
  • 48
    • 0037296167 scopus 로고    scopus 로고
    • Formation of amylose-lipid complexes and effects of temperature treatment. Part 1. Monoglycerides
    • Tufvesson, F., Wahlgren, M., Eliasson, A.C., Formation of amylose-lipid complexes and effects of temperature treatment. Part 1. Monoglycerides. Starch-Stärke 55:2 (2003), 61–71.
    • (2003) Starch-Stärke , vol.55 , Issue.2 , pp. 61-71
    • Tufvesson, F.1    Wahlgren, M.2    Eliasson, A.C.3
  • 49
    • 4344657207 scopus 로고    scopus 로고
    • Formation of amylose-lipid complexes and effects of temperature treatment. Part 2. Fatty acids
    • Tufvesson, F., Wahlgren, M., Eliasson, A.C., Formation of amylose-lipid complexes and effects of temperature treatment. Part 2. Fatty acids. Starch-Stärke 55:3–4 (2003), 138–149.
    • (2003) Starch-Stärke , vol.55 , Issue.3-4 , pp. 138-149
    • Tufvesson, F.1    Wahlgren, M.2    Eliasson, A.C.3
  • 50
    • 80052814353 scopus 로고    scopus 로고
    • Structural stability of V-Amylose helices in water-DMSO mixtures analyzed by molecular dynamics
    • Tusch, M., Kruger, J., Fels, G., Structural stability of V-Amylose helices in water-DMSO mixtures analyzed by molecular dynamics. Journal of Chemical Theory and Computation 7:9 (2011), 2919–2928.
    • (2011) Journal of Chemical Theory and Computation , vol.7 , Issue.9 , pp. 2919-2928
    • Tusch, M.1    Kruger, J.2    Fels, G.3
  • 52
    • 0016235620 scopus 로고
    • Crystal and molecular structure of V-anhydrous amylose
    • Winter, W.T., Sarko, A., Crystal and molecular structure of V-anhydrous amylose. Biopolymers 13:7 (1974), 1447–1460.
    • (1974) Biopolymers , vol.13 , Issue.7 , pp. 1447-1460
    • Winter, W.T.1    Sarko, A.2
  • 53
    • 67349162450 scopus 로고    scopus 로고
    • Studying different dimensions of amylose–long chain fatty acid complexes: Molecular, nano and micro level characteristics
    • Zabar, S., Lesmes, U., Katz, I., Shimoni, E., Bianco-Peled, H., Studying different dimensions of amylose–long chain fatty acid complexes: Molecular, nano and micro level characteristics. Food Hydrocolloids 23:7 (2009), 1918–1925.
    • (2009) Food Hydrocolloids , vol.23 , Issue.7 , pp. 1918-1925
    • Zabar, S.1    Lesmes, U.2    Katz, I.3    Shimoni, E.4    Bianco-Peled, H.5
  • 54


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