메뉴 건너뛰기




Volumn 116, Issue 22, 2012, Pages 6380-6386

Dependence of pyranose ring puckering on anomeric configuration: Methyl idopyranosides

Author keywords

[No Author keywords available]

Indexed keywords

METHANOL; PROFESSIONAL ASPECTS;

EID: 84861850122     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp303183y     Document Type: Article
Times cited : (35)

References (37)
  • 1
    • 77957123311 scopus 로고    scopus 로고
    • Free Energy Landscapes of Iduronic Acid and Related Monosaccharides
    • Sattelle, B. M.; Hansen, S. U.; Gardiner, J.; Almond, A. Free Energy Landscapes of Iduronic Acid and Related Monosaccharides J. Am. Chem. Soc. 2010, 132, 13132-13134
    • (2010) J. Am. Chem. Soc. , vol.132 , pp. 13132-13134
    • Sattelle, B.M.1    Hansen, S.U.2    Gardiner, J.3    Almond, A.4
  • 2
    • 80052092429 scopus 로고    scopus 로고
    • Sensing or No Sensing: Can the Anomeric Effect Be Probed by a Sensing Molecule?
    • Wang, C.; Ying, F.; Wu, W.; Mo, Y. Sensing or No Sensing: Can the Anomeric Effect Be Probed by a Sensing Molecule? J. Am. Chem. Soc. 2011, 133, 13731-13736
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 13731-13736
    • Wang, C.1    Ying, F.2    Wu, W.3    Mo, Y.4
  • 3
    • 77954925957 scopus 로고    scopus 로고
    • Computational Evidence That Hyperconjugative Interactions Are Not Responsible for the Anomeric Effect
    • Mo, Y. Computational Evidence That Hyperconjugative Interactions Are Not Responsible for the Anomeric Effect Nat. Chem. 2010, 2 (8) 666-671
    • (2010) Nat. Chem. , vol.2 , Issue.8 , pp. 666-671
    • Mo, Y.1
  • 4
    • 33845374829 scopus 로고
    • D -Idose-A One-Dimensional and Two-Dimensional NMR Investigation of Solution Composition and Conformation
    • Snyder, J. R.; Serianni, A. S. d -Idose-A One-Dimensional and Two-Dimensional NMR Investigation of Solution Composition and Conformation J. Org. Chem. 1986, 51, 2694-2702
    • (1986) J. Org. Chem. , vol.51 , pp. 2694-2702
    • Snyder, J.R.1    Serianni, A.S.2
  • 5
    • 84859364051 scopus 로고    scopus 로고
    • Assigning Kinetic 3D-Signatures to Glycocodes
    • Sattelle, B. M.; Almond, A. Assigning Kinetic 3D-Signatures to Glycocodes Phys. Chem. Chem. Phys. 2012, 14 (16) 5843-5848
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , Issue.16 , pp. 5843-5848
    • Sattelle, B.M.1    Almond, A.2
  • 6
    • 79751496050 scopus 로고    scopus 로고
    • A New Linker for Solid-Phase Synthesis of Heparan Sulfate Precursors by Sequential Assembly of Monosaccharide Building Blocks
    • Reichardt, N. C.; Czechura, P.; Guedes, N.; Kopitzki, S.; Vazquez, N.; Martin-Lomas, M. a New Linker for Solid-Phase Synthesis of Heparan Sulfate Precursors by Sequential Assembly of Monosaccharide Building Blocks Chem. Commun. (Cambridge, U.K.) 2011, 47 (8) 2390-2392
    • (2011) Chem. Commun. (Cambridge, U.K.) , vol.47 , Issue.8 , pp. 2390-2392
    • Reichardt, N.C.1    Czechura, P.2    Guedes, N.3    Kopitzki, S.4    Vazquez, N.5    Martin-Lomas, M.6
  • 7
    • 61449171129 scopus 로고    scopus 로고
    • Lessons Learned from the Contamination of Heparin
    • Liu, H.; Zhang, Z.; Linhardt, R. J. Lessons Learned from the Contamination of Heparin Nat. Prod. Rep. 2009, 26 (3) 313-321
    • (2009) Nat. Prod. Rep. , vol.26 , Issue.3 , pp. 313-321
    • Liu, H.1    Zhang, Z.2    Linhardt, R.J.3
  • 8
    • 0035886931 scopus 로고    scopus 로고
    • Conformation of Heparin Pentasaccharide Bound to Antithrombin III
    • Hricovini, M.; Guerrini, M.; Bisio, A.; Torri, G.; Petitou, M.; Casu, B. Conformation of Heparin Pentasaccharide Bound to Antithrombin III Biochem. J. 2001, 359 (Pt 2) 265-272
    • (2001) Biochem. J. , vol.359 , Issue.PART 2 , pp. 265-272
    • Hricovini, M.1    Guerrini, M.2    Bisio, A.3    Torri, G.4    Petitou, M.5    Casu, B.6
  • 9
    • 75149117317 scopus 로고    scopus 로고
    • DFTMD Studies of Glucose and Epimers: Anomeric Ratios, Rotamer Populations, and Hydration Energies
    • Schnupf, U.; Willett, J. L.; Momany, F. DFTMD Studies of Glucose and Epimers: Anomeric Ratios, Rotamer Populations, and Hydration Energies Carbohydr. Res. 2010, 345 (4) 503-511
    • (2010) Carbohydr. Res. , vol.345 , Issue.4 , pp. 503-511
    • Schnupf, U.1    Willett, J.L.2    Momany, F.3
  • 10
    • 77956422939 scopus 로고    scopus 로고
    • Puckering Free Energy of Pyranoses: A NMR and Metadynamics-Umbrella Sampling Investigation
    • Autieri, E.; Sega, M.; Pederiva, F.; Guella, G., Puckering Free Energy of Pyranoses: A NMR and Metadynamics-Umbrella Sampling Investigation. J. Chem. Phys. 2010, 133 (9).
    • (2010) J. Chem. Phys. , vol.133 , Issue.9
    • Autieri, E.1    Sega, M.2    Pederiva, F.3    Guella, G.4
  • 11
    • 79956027919 scopus 로고    scopus 로고
    • Molecular Dynamics-Based Approaches for Enhanced Sampling of Long-Time, Large-Scale Conformational Changes in Biomolecules
    • 51
    • Schlick, T. Molecular Dynamics-Based Approaches for Enhanced Sampling of Long-Time, Large-Scale Conformational Changes in Biomolecules F1000 Biol. Rep. 2009, 1 51
    • (2009) F1000 Biol. Rep. , vol.1
    • Schlick, T.1
  • 12
    • 0035845496 scopus 로고    scopus 로고
    • Solvent Interactions Determine Carbohydrate Conformation
    • Kirschner, K. N.; Woods, R. J. Solvent Interactions Determine Carbohydrate Conformation Proc. Natl. Acad. Sci. U. S. A. 2001, 98 (19) 10541-10545
    • (2001) Proc. Natl. Acad. Sci. U. S. A. , vol.98 , Issue.19 , pp. 10541-10545
    • Kirschner, K.N.1    Woods, R.J.2
  • 13
    • 1542285296 scopus 로고    scopus 로고
    • A Hydration Study of (1→4) and (1→6) Linked Alpha-Glucans by Comparative 10 ns Molecular Dynamics Simulations and 500-MHz NMR
    • Corzana, F.; Motawia, M. S.; Du Penhoat, C. H.; Perez, S.; Tschampel, S. M.; Woods, R. J.; Engelsen, S. B. A Hydration Study of (1→4) and (1→6) Linked Alpha-Glucans by Comparative 10 ns Molecular Dynamics Simulations and 500-MHz NMR J. Comput. Chem. 2004, 25 (4) 573-586
    • (2004) J. Comput. Chem. , vol.25 , Issue.4 , pp. 573-586
    • Corzana, F.1    Motawia, M.S.2    Du Penhoat, C.H.3    Perez, S.4    Tschampel, S.M.5    Woods, R.J.6    Engelsen, S.B.7
  • 15
    • 18744387415 scopus 로고    scopus 로고
    • Potential Energy Functions for Atomic-Level Simulations of Water and Organic and Biomolecular Systems
    • Jorgensen, W. L.; Tirado-Rives, J. Potential Energy Functions for Atomic-Level Simulations of Water and Organic and Biomolecular Systems Proc. Natl. Acad. Sci. U. S. A. 2005, 102 (19) 6665-6670
    • (2005) Proc. Natl. Acad. Sci. U. S. A. , vol.102 , Issue.19 , pp. 6665-6670
    • Jorgensen, W.L.1    Tirado-Rives, J.2
  • 17
    • 84906391926 scopus 로고
    • Temperature and Size Dependence for Monte-Carlo Simulations of Tip4p Water
    • Jorgensen, W. L.; Madura, J. D. Temperature and Size Dependence for Monte-Carlo Simulations of Tip4p Water Mol. Phys. 1985, 56 (6) 1381-1392
    • (1985) Mol. Phys. , vol.56 , Issue.6 , pp. 1381-1392
    • Jorgensen, W.L.1    Madura, J.D.2
  • 18
    • 2942622288 scopus 로고    scopus 로고
    • Development of an Improved Four-Site Water Model for Biomolecular Simulations: TIP4P-Ew
    • Horn, H. W.; Swope, W. C.; Pitera, J. W.; Madura, J. D.; Dick, T. J.; Hura, G. L.; Head-Gordon, T. Development of an Improved Four-Site Water Model for Biomolecular Simulations: TIP4P-Ew J. Chem. Phys. 2004, 120 (20) 9665-9678
    • (2004) J. Chem. Phys. , vol.120 , Issue.20 , pp. 9665-9678
    • Horn, H.W.1    Swope, W.C.2    Pitera, J.W.3    Madura, J.D.4    Dick, T.J.5    Hura, G.L.6    Head-Gordon, T.7
  • 19
    • 67650099787 scopus 로고    scopus 로고
    • ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
    • Harvey, M. J.; Giupponi, G.; De Fabritiis, G. ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale J. Chem. Theory Comput. 2009, 5, 1632-1639
    • (2009) J. Chem. Theory Comput. , vol.5 , pp. 1632-1639
    • Harvey, M.J.1    Giupponi, G.2    De Fabritiis, G.3
  • 20
    • 77949978021 scopus 로고    scopus 로고
    • High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing
    • Buch, I.; Harvey, M. J.; Giorgino, T.; Anderson, D. P.; De Fabritiis, G. High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing J. Chem. Inf. Model 2010, 50, 397-403
    • (2010) J. Chem. Inf. Model , vol.50 , pp. 397-403
    • Buch, I.1    Harvey, M.J.2    Giorgino, T.3    Anderson, D.P.4    De Fabritiis, G.5
  • 21
    • 0035871686 scopus 로고    scopus 로고
    • A Fast SHAKE: Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations
    • Krautler, V.; Van Gunsteren, W. F.; Hunenberger, P. H. A Fast SHAKE: Algorithm To Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations J. Comput. Chem. 2001, 22 (5) 501-508
    • (2001) J. Comput. Chem. , vol.22 , Issue.5 , pp. 501-508
    • Krautler, V.1    Van Gunsteren, W.F.2    Hunenberger, P.H.3
  • 23
    • 75149117767 scopus 로고    scopus 로고
    • Modelling of β-D-Glucopyranose Ring Distortion in Different Force Fields: A Metadynamics Study
    • Spiwok, V.; Kralova, B.; Tvaroska, I. Modelling of β-D-Glucopyranose Ring Distortion in Different Force Fields: A Metadynamics Study Carbohydr. Res. 2010, 345 (4) 530-537
    • (2010) Carbohydr. Res. , vol.345 , Issue.4 , pp. 530-537
    • Spiwok, V.1    Kralova, B.2    Tvaroska, I.3
  • 24
    • 1842692143 scopus 로고
    • General Definition of Ring Puckering Coordinates
    • Cremer, D.; Pople, J. A. General Definition of Ring Puckering Coordinates J. Am. Chem. Soc. 1975, 97, 1354-1358
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 1354-1358
    • Cremer, D.1    Pople, J.A.2
  • 25
    • 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 J. Chem. Theory Comput. 2008, 4, 435-447
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 27
    • 20444483055 scopus 로고
    • The Relationship between Proton-Proton NMR Coupling-Constants and Substituent Electronegativities-1. An Empirical Generalization of the Karplus Equation
    • Haasnoot, C. A. G.; Deleeuw, F. A. A. M.; Altona, C. The Relationship between Proton-Proton NMR Coupling-Constants and Substituent Electronegativities-1. An Empirical Generalization of the Karplus Equation Tetrahedron 1980, 36 (19) 2783-2792
    • (1980) Tetrahedron , vol.36 , Issue.19 , pp. 2783-2792
    • Haasnoot, C.A.G.1    Deleeuw, F.A.A.M.2    Altona, C.3
  • 29
    • 8244221922 scopus 로고
    • Carbon-13-Enriched Carbohydrates-Preparation of Aldononitriles and Their Reduction with a Palladium Catalyst
    • JUL
    • Serianni, A. S.; Nunez, H. A.; Barker, R. Carbon-13-Enriched Carbohydrates-Preparation of Aldononitriles and Their Reduction with a Palladium Catalyst Carbohydr. Res. 1979, 72 (Jul) 71-78
    • (1979) Carbohydr. Res. , vol.72 , pp. 71-78
    • Serianni, A.S.1    Nunez, H.A.2    Barker, R.3
  • 30
    • 0025109615 scopus 로고
    • Stable Isotopically-Enriched D-Glucose - Strategies to Introduce Carbon, Hydrogen and Oxygen Isotopes at Various Sites
    • Serianni, A. S.; Vuorinen, T.; Bondo, P. B. Stable Isotopically-Enriched D-Glucose-Strategies to Introduce Carbon, Hydrogen and Oxygen Isotopes at Various Sites J. Carbohydr. Chem. 1990, 9 (5) 513-541
    • (1990) J. Carbohydr. Chem. , vol.9 , Issue.5 , pp. 513-541
    • Serianni, A.S.1    Vuorinen, T.2    Bondo, P.B.3
  • 31
    • 0003097515 scopus 로고
    • Complexes of Carbohydrates with Metal Cation. 10. Separation of Sugars and of Polyols on Cation-Exchange Resins in the Calcium Form
    • AUG
    • Angyal, S. J.; Bethell, G. S.; Beveridge, R. J. Complexes of Carbohydrates with Metal Cation. 10. Separation of Sugars and of Polyols on Cation-Exchange Resins in the Calcium Form Carbohydr. Res. 1979, 73 (Aug) 9-18
    • (1979) Carbohydr. Res. , vol.73 , pp. 9-18
    • Angyal, S.J.1    Bethell, G.S.2    Beveridge, R.J.3
  • 33
    • 0010416247 scopus 로고
    • Separation of Isomeric Glycosides on Basic Ion-Exchange Resins
    • NOV
    • Austin, P. W.; Baddiley, J.; Hardy, F. E.; Buchanan, J. G. Separation of Isomeric Glycosides on Basic Ion-Exchange Resins J. Chem. Soc. 1963, Nov) 5350-5353
    • (1963) J. Chem. Soc. , pp. 5350-5353
    • Austin, P.W.1    Baddiley, J.2    Hardy, F.E.3    Buchanan, J.G.4
  • 34
    • 0000928084 scopus 로고
    • Determination of Reducing Sugar and Carbohydrate
    • Hodge, J. E.; Hofreiter, B. T. Determination of Reducing Sugar and Carbohydrate Methods Carbohydr. Chem. 1962, 1, 380-394
    • (1962) Methods Carbohydr. Chem. , vol.1 , pp. 380-394
    • Hodge, J.E.1    Hofreiter, B.T.2
  • 36
    • 33748913919 scopus 로고    scopus 로고
    • An Investigation of the Pyranose Ring Interconversion Path of Alpha-L-Idose Calculated Using Density Functional Theory
    • Kurihara, Y.; Ueda, K. an Investigation of the Pyranose Ring Interconversion Path of Alpha-L-Idose Calculated Using Density Functional Theory Carbohydr. Res. 2006, 341 (15) 2565-2574
    • (2006) Carbohydr. Res. , vol.341 , Issue.15 , pp. 2565-2574
    • Kurihara, Y.1    Ueda, K.2
  • 37
    • 59149102062 scopus 로고    scopus 로고
    • Glycans: Bioactive Signals Decoded by Lectins
    • Gabius, H. J. Glycans: Bioactive Signals Decoded by Lectins Biochem. Soc. Trans. 2008, 36 (Pt 6) 1491-6
    • (2008) Biochem. Soc. Trans. , vol.36 , Issue.PART 6 , pp. 1491-1496
    • Gabius, H.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.