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Volumn 4, Issue 8, 2008, Pages 1307-1312

Re-evaluation of the reported experimental values of the heat of vaporization of N-methylacetamide

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EID: 58149154547     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct8000969     Document Type: Article
Times cited : (14)

References (31)
  • 1
    • 34447297323 scopus 로고    scopus 로고
    • Energetics of protein folding
    • Baldwin, R. L. Energetics of protein folding. J. Mol. Biol. 2007, 371, 283-301.
    • (2007) J. Mol. Biol , vol.371 , pp. 283-301
    • Baldwin, R.L.1
  • 2
    • 4444351490 scopus 로고    scopus 로고
    • Empirical Force Fields for Biological Macromolecules: Overview and Issues
    • MacKerell, A. D., Jr. Empirical Force Fields for Biological Macromolecules: Overview and Issues. J. Comput. Chem. 2004, 25, 1584-1604.
    • (2004) J. Comput. Chem , vol.25 , pp. 1584-1604
    • MacKerell Jr., A.D.1
  • 4
    • 34248549547 scopus 로고    scopus 로고
    • Can Molecular Dynamics Simulations Provide High-Resolution Refinement of Protein Structure
    • Chen, J.; Brooks, C. L. I. Can Molecular Dynamics Simulations Provide High-Resolution Refinement of Protein Structure. Proteins 2007, 67, 922-930.
    • (2007) Proteins , vol.67 , pp. 922-930
    • Chen, J.1    Brooks, C.L.I.2
  • 5
    • 0242443693 scopus 로고    scopus 로고
    • Force Fields for Protein Simulations
    • Ponder, J. W.; Case, D. A. Force Fields for Protein Simulations. Adv. Prot. Chem. 2003, 66, 27-85.
    • (2003) Adv. Prot. Chem , vol.66 , pp. 27-85
    • Ponder, J.W.1    Case, D.A.2
  • 6
    • 0000795938 scopus 로고
    • Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model
    • Kaminski, G.; Duffy, E. M.; Matsui, T.; Jorgensen, W. L. Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model. J. Phys. Chem. 1994, 98, 13077-13082.
    • (1994) J. Phys. Chem , vol.98 , pp. 13077-13082
    • Kaminski, G.1    Duffy, E.M.2    Matsui, T.3    Jorgensen, W.L.4
  • 7
    • 0027664554 scopus 로고
    • Simulating the critical behaviour of complex fluids
    • Siepmann, J. I.; Karaborni, S.; Smit, B. Simulating the critical behaviour of complex fluids. Nature 1993, 365 (6444), 330-332.
    • (1993) Nature , vol.365 , Issue.6444 , pp. 330-332
    • Siepmann, J.I.1    Karaborni, S.2    Smit, B.3
  • 8
    • 0000378037 scopus 로고    scopus 로고
    • Transferable Potentials for Phase Equilibria. 3. Explicit-Hydrogen Description of Normal Alkanes
    • Chen, B.; Siepmann, J. I. Transferable Potentials for Phase Equilibria. 3. Explicit-Hydrogen Description of Normal Alkanes. J. Phys. Chem. B 1999, 103 (25), 5370-5379.
    • (1999) J. Phys. Chem. B , vol.103 , Issue.25 , pp. 5370-5379
    • Chen, B.1    Siepmann, J.I.2
  • 9
    • 0000402931 scopus 로고    scopus 로고
    • A New Intermolecular Potential Model for the n-Alkane Homologous Series
    • Errington, J. R.; Panagiotopoulos, A. Z. A New Intermolecular Potential Model for the n-Alkane Homologous Series. J. Phys. Chem. B 1999, 103 (30), 6314-6322.
    • (1999) J. Phys. Chem. B , vol.103 , Issue.30 , pp. 6314-6322
    • Errington, J.R.1    Panagiotopoulos, A.Z.2
  • 10
    • 0000127350 scopus 로고    scopus 로고
    • Optimization of the anisotropic united atoms intermolecular potential for n-alkanes
    • Ungerer, P.; Beauvais, C.; Delhommelle, J.; Boutin, A.; Rousseau, B.; Fuchs, A. H. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes. J. Chem. Phys. 2000, 112, 5499-5510.
    • (2000) J. Chem. Phys , vol.112 , pp. 5499-5510
    • Ungerer, P.1    Beauvais, C.2    Delhommelle, J.3    Boutin, A.4    Rousseau, B.5    Fuchs, A.H.6
  • 11
    • 0011897910 scopus 로고
    • Iron(III) Complexes in Non-aqueous Solvents. I. The Solvolysis and Chloride Complex Constants in N-Methylacetamide
    • Reynolds, W. L.; Weiss, R. H. Iron(III) Complexes in Non-aqueous Solvents. I. The Solvolysis and Chloride Complex Constants in N-Methylacetamide. J. Am. Chem. Soc. 1959, 81, 1790-1793.
    • (1959) J. Am. Chem. Soc , vol.81 , pp. 1790-1793
    • Reynolds, W.L.1    Weiss, R.H.2
  • 12
    • 0002356394 scopus 로고
    • Vapour Pressures of some Mono- and Di-Alkyl Substituted Aliphatic Amides at Different Temperatures
    • Gopal, R.; Rizvi, S. A. Vapour Pressures of some Mono- and Di-Alkyl Substituted Aliphatic Amides at Different Temperatures. J. Indian Chem. Soc. 1968, 45, 13-16.
    • (1968) J. Indian Chem. Soc , vol.45 , pp. 13-16
    • Gopal, R.1    Rizvi, S.A.2
  • 13
    • 84982390336 scopus 로고
    • Vapor-liquid equilibrium (boiling-point diagrams) of binary systems: High relative volatility
    • Kortüm, G.; Biedersee, H. v. Vapor-liquid equilibrium (boiling-point diagrams) of binary systems: High relative volatility. Chem.-Ing.-Tech. 1970, 42, 552-560.
    • (1970) Chem.-Ing.-Tech , vol.42 , pp. 552-560
    • Kortüm, G.1    Biedersee, H.V.2
  • 14
    • 0347639489 scopus 로고
    • N-Methylacetamide as a Solvent
    • Lemire, R. H.; Sears, P. G. N-Methylacetamide as a Solvent. Top. Curr. Chem. 1978, 78, 45-91.
    • (1978) Top. Curr. Chem , vol.78 , pp. 45-91
    • Lemire, R.H.1    Sears, P.G.2
  • 15
    • 0027247085 scopus 로고
    • Isobaric Vapor-Liquid Equilibrium Data for the Cyclohexanone + N-Methylacetamide System
    • Aucejo, A.; Montón, J. B.; Muǒz, R.; Sanchotello, M. Isobaric Vapor-Liquid Equilibrium Data for the Cyclohexanone + N-Methylacetamide System. J. Chem. Eng. Data 1993, 38, 160-162.
    • (1993) J. Chem. Eng. Data , vol.38 , pp. 160-162
    • Aucejo, A.1    Montón, J.B.2    Muǒz, R.3    Sanchotello, M.4
  • 16
    • 30244446586 scopus 로고    scopus 로고
    • Enthalpies of Vaporization of Organic and Organometallic Compounds
    • Chickos, J. S.; Acree, W. E., Jr. Enthalpies of Vaporization of Organic and Organometallic Compounds. J. Phys. Chem. Ref. Data 2003, 32, 519-878.
    • (2003) J. Phys. Chem. Ref. Data , vol.32 , pp. 519-878
    • Chickos, J.S.1    Acree Jr., W.E.2
  • 17
    • 0010552685 scopus 로고
    • Thermodynamische Mischungseffekte im System Wasser(1)/N-Methylacetamid(2).
    • Manczinger, J.; Kortüm, G. Thermodynamische Mischungseffekte im System Wasser(1)/N-Methylacetamid(2). Z. Phys. Chem. Neue Folge 1975, 95, 177-186.
    • (1975) Z. Phys. Chem. Neue Folge , vol.95 , pp. 177-186
    • Manczinger, J.1    Kortüm, G.2
  • 20
    • 33845376931 scopus 로고
    • Optimized Intermolecular Potential Functions for Amides and Peptides. Structure and Properties of Liquid Amides
    • Jorgensen, W. L.; Swenson, C. J. Optimized Intermolecular Potential Functions for Amides and Peptides. Structure and Properties of Liquid Amides. J. Am. Chem. Soc. 1985, 107, 569-578.
    • (1985) J. Am. Chem. Soc , vol.107 , pp. 569-578
    • Jorgensen, W.L.1    Swenson, C.J.2
  • 21
    • 33645724429 scopus 로고
    • Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide
    • Caldwell, J. W.; Kollman, P. A. Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide. J. Phys. Chem. 1995, 99, 6208-6219.
    • (1995) J. Phys. Chem , vol.99 , pp. 6208-6219
    • Caldwell, J.W.1    Kollman, P.A.2
  • 22
    • 0001379843 scopus 로고    scopus 로고
    • Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function
    • Gao, J.; Pavelites, J. J.; Habibollazadeh, D. Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function. J. Phys. Chem. 1996, 100, 2689-2697.
    • (1996) J. Phys. Chem , vol.100 , pp. 2689-2697
    • Gao, J.1    Pavelites, J.J.2    Habibollazadeh, D.3
  • 23
    • 36649029525 scopus 로고    scopus 로고
    • Development of a Polarizable Intermolecular Potential Function (PIPF) for Liquid Amides and Alkanes
    • Xie, W.; Pu, J.; MacKerell, A. D., Jr.; Gao, J. Development of a Polarizable Intermolecular Potential Function (PIPF) for Liquid Amides and Alkanes. J. Chem. Theory Comput. 2007, 3, 1878-1889.
    • (2007) J. Chem. Theory Comput , vol.3 , pp. 1878-1889
    • Xie, W.1    Pu, J.2    MacKerell Jr., A.D.3    Gao, J.4
  • 24
    • 0442311067 scopus 로고    scopus 로고
    • Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry
    • Kaminski, G.; Stern, H. A.; Berne, B. J.; Friesner, R. A. Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry. J. Phys. Chem. A 2004, 108, 621-627.
    • (2004) J. Phys. Chem. A , vol.108 , pp. 621-627
    • Kaminski, G.1    Stern, H.A.2    Berne, B.J.3    Friesner, R.A.4
  • 25
    • 0041784950 scopus 로고    scopus 로고
    • MacKerell, A. D., Jr.; Bashford, D.; Bellott, M.; Dunbrack, R. L., Jr.; Evanseck, J.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, I. W. E.; Roux, B.; Schlenkrich, M.; Smith, J.; Stote, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 1998, 102, 3586-3616.
    • MacKerell, A. D., Jr.; Bashford, D.; Bellott, M.; Dunbrack, R. L., Jr.; Evanseck, J.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, I. W. E.; Roux, B.; Schlenkrich, M.; Smith, J.; Stote, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 1998, 102, 3586-3616.
  • 26
    • 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. J. Comput. Chem. 2004, 25, 1656-1676.
    • (2004) J. Comput. Chem , vol.25 , pp. 1656-1676
    • Oostenbrink, C.1    Villa, A.2    Mark, A.E.3    van Gunsteren, W.F.4
  • 27
    • 22944471787 scopus 로고    scopus 로고
    • A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model
    • Patel, S.; Brooks, I. C. L. A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model. J. Chem. Phys. 2005, 122, 024508.
    • (2005) J. Chem. Phys , vol.122 , pp. 024508
    • Patel, S.1    Brooks, I.C.L.2
  • 28
    • 45949095549 scopus 로고    scopus 로고
    • Understanding the Dielectric Properties of Liquid Amides from a Polarizable Force Field
    • Harder, E.; Anisimov, V. M.; Whitman, T.; MacKerell, A. D., Jr.; Roux, B. Understanding the Dielectric Properties of Liquid Amides from a Polarizable Force Field. J. Chem. Theory Comput. 2008, 112, 3509-3521.
    • (2008) J. Chem. Theory Comput , vol.112 , pp. 3509-3521
    • Harder, E.1    Anisimov, V.M.2    Whitman, T.3    MacKerell Jr., A.D.4    Roux, B.5
  • 29
    • 10944251318 scopus 로고
    • The Antoine Equation for Vapor-Pressure Data
    • Thomson, G. W. M. The Antoine Equation for Vapor-Pressure Data. Chem. Rev. 1946, 38, 1-39.
    • (1946) Chem. Rev , vol.38 , pp. 1-39
    • Thomson, G.W.M.1
  • 30
    • 18744402303 scopus 로고    scopus 로고
    • Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator
    • Anisimov, V. M.; Lamoureux, G.; Vorobyov, I. V.; Huang, N.; Roux, B.; MacKerell, A. D., Jr. Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator. J. Chem. Theory Comput. 2005, 1, 153-168.
    • (2005) J. Chem. Theory Comput , vol.1 , pp. 153-168
    • Anisimov, V.M.1    Lamoureux, G.2    Vorobyov, I.V.3    Huang, N.4    Roux, B.5    MacKerell Jr., A.D.6


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