References
29
73. H.C. Longuet-Higgins, On the origin of the free radical property of melanins. Arch. Biochem.
Biophys. 86, 231–232 (1960)
74. M.S. Blois, A.B. Zahlan, J.E. Maling, Electron spin resonance studies on melanin. Biophys.
J. 4, 471–490 (1964)
75. A. Pullman, B. Pullman, The band structure of melanins. Biochim. Biophys. Acta 54, 384–385
(1961)
76. D.S. Galvão, M.J. Caldas, Polymerization of 5,6-indolequinone: a view into the band structure
of melanins. J. Chem. Phys. 88, 4088–4091 (1988)
77. D.S. Galvão, M.J. Caldas, Theoretical investigation of model polymers for eumelanins. I.
Finite and infinite polymers. J. Chem. Phys. 92, 2630–2636 (1990)
78. J. Cheng, S.C. Moss, M. Eisner, P. Zschack, X-ray characterization of melanins−I. Pigment
Cell Res. 7, 255–262 (1994)
79. J. Cheng, S.C. Moss, M. Eisner, X-ray characterization of melanins−II. Pigment Cell Res. 7,
263–273 (1994)
80. G.W. Zajac, J.M. Gallas, J. Cheng, M. Eisner, S.C. Moss, A.E. Alvarado-Swaisgood, The
fundamental unit of synthetic melanin: a verification by tunneling microscopy of X-ray
scattering results. Biochim. Biophys. Acta 1199, 271–278 (1994)
81. P. Meredith, B.J. Powell, J. Riesz, S.P. Nighswander-Rempel, M.R. Pederson, E.G. Moore,
Towards structure-property-function relationships for eumelanin. Soft Matter 2, 37–44 (2006)
82. P. Hohenberg, W. Kohn, Inhomogeneous electron gas. Phys. Rev. 136, B864–B871 (1964)
83. W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation effects.
Phys. Rev. 140, A1133–A1138 (1965)
84. Y.V. Il’ichev, J.D. Simon, Building blocks of eumelanin: relative stability and excitation
energies of tautomers of 5,6-dihydroxyindole and 5,6-indolequinone. J. Phys. Chem. B 107,
7162–7171 (2003)
85. B.J. Powell, T. Baruah, N. Bernstein, K. Brake, R.H. McKenzie, P. Meredith, M.R. Pederson,
A first-principles density-functional calculation of the electronic and vibrational structure of
the key melanin monomers. J. Chem. Phys. 120, 8608–8615 (2004)
86. B.J. Powell, 5,6-Dihydroxyindole-2-carboxylic acid: a first principles density functional study.
Chem. Phys. Lett. 402, 111–115 (2005)
87. M.L. Tran, B.J. Powell, P. Meredith, Chemical and structural disorder in eumelanins: a possible
explanation for broadband absorbance. Biophys. J. 90, 743–752 (2006)
88. J.S.M. Anderson, J. Melin, P.W. Ayers, Conceptual density-functional theory for general
chemical reactions including those that are neither charge-nor frontier-orbital controlled. 1.
Theory and derivation of a general-purpose reactivity indicator. J. Chem. Theory Comput. 3,
358–374 (2007)
89. J.S.M. Anderson, J. Melin, P.W. Ayers, Conceptual density-functional theory for general
chemical reactions including those that are neither charge-nor frontier-orbital controlled.
2. Application to molecules where frontier molecular orbital theory fails. J. Chem. Theory
Comput. 3, 375–389 (2007)
90. H. Okuda, K. Wakamatsu, S. Ito, T. Sota, Possible oxidative polymerization mechanism of
5,6-dihydroxyindole from ab initio calculations. J. Phys. Chem. A 112, 11213–11222 (2008)
91. R.G. Parr, W. Yang, Density functional approatch to the frontier-electron theory of chemical
reactivity. J. Am. Chem. Soc. 106, 4049–4050 (1984)
92. P. Fuentealba, P. Pérez, R. Contreras, On the condensed Fukui function. J. Chem. Phys. 113,
2544–2551 (2000)
93. S. Ito, G. Prota, A facile one-step synthesis of cysteinyldopas using mushroom tyrosinase.
Experimentia 33, 1118–1119 (1977)
94. A. Thompson, E.J. Land, M.R. Chedekel, K.V. Subbarao, T.G. Truscott, A pulse radiolysis
investigation of the oxidation of the melanin precursors 3,4-dihydroxyphenylalanine (dopa)
and the cysteinyldopas. Biochim. Biophys. Acta 843, 49–57 (1985)
95. A. Napolitano, P.D. Donato, G. Prota, E.J. Land, Transient quinonimines and 1,4benzothiazines of pheomelanogensis: new pulse radiolytic and spectrophotometric evidence.
Free Radic. Biol. Med. 27, 521–528 (1999)
29
73. H.C. Longuet-Higgins, On the origin of the free radical property of melanins. Arch. Biochem.
Biophys. 86, 231–232 (1960)
74. M.S. Blois, A.B. Zahlan, J.E. Maling, Electron spin resonance studies on melanin. Biophys.
J. 4, 471–490 (1964)
75. A. Pullman, B. Pullman, The band structure of melanins. Biochim. Biophys. Acta 54, 384–385
(1961)
76. D.S. Galvão, M.J. Caldas, Polymerization of 5,6-indolequinone: a view into the band structure
of melanins. J. Chem. Phys. 88, 4088–4091 (1988)
77. D.S. Galvão, M.J. Caldas, Theoretical investigation of model polymers for eumelanins. I.
Finite and infinite polymers. J. Chem. Phys. 92, 2630–2636 (1990)
78. J. Cheng, S.C. Moss, M. Eisner, P. Zschack, X-ray characterization of melanins−I. Pigment
Cell Res. 7, 255–262 (1994)
79. J. Cheng, S.C. Moss, M. Eisner, X-ray characterization of melanins−II. Pigment Cell Res. 7,
263–273 (1994)
80. G.W. Zajac, J.M. Gallas, J. Cheng, M. Eisner, S.C. Moss, A.E. Alvarado-Swaisgood, The
fundamental unit of synthetic melanin: a verification by tunneling microscopy of X-ray
scattering results. Biochim. Biophys. Acta 1199, 271–278 (1994)
81. P. Meredith, B.J. Powell, J. Riesz, S.P. Nighswander-Rempel, M.R. Pederson, E.G. Moore,
Towards structure-property-function relationships for eumelanin. Soft Matter 2, 37–44 (2006)
82. P. Hohenberg, W. Kohn, Inhomogeneous electron gas. Phys. Rev. 136, B864–B871 (1964)
83. W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation effects.
Phys. Rev. 140, A1133–A1138 (1965)
84. Y.V. Il’ichev, J.D. Simon, Building blocks of eumelanin: relative stability and excitation
energies of tautomers of 5,6-dihydroxyindole and 5,6-indolequinone. J. Phys. Chem. B 107,
7162–7171 (2003)
85. B.J. Powell, T. Baruah, N. Bernstein, K. Brake, R.H. McKenzie, P. Meredith, M.R. Pederson,
A first-principles density-functional calculation of the electronic and vibrational structure of
the key melanin monomers. J. Chem. Phys. 120, 8608–8615 (2004)
86. B.J. Powell, 5,6-Dihydroxyindole-2-carboxylic acid: a first principles density functional study.
Chem. Phys. Lett. 402, 111–115 (2005)
87. M.L. Tran, B.J. Powell, P. Meredith, Chemical and structural disorder in eumelanins: a possible
explanation for broadband absorbance. Biophys. J. 90, 743–752 (2006)
88. J.S.M. Anderson, J. Melin, P.W. Ayers, Conceptual density-functional theory for general
chemical reactions including those that are neither charge-nor frontier-orbital controlled. 1.
Theory and derivation of a general-purpose reactivity indicator. J. Chem. Theory Comput. 3,
358–374 (2007)
89. J.S.M. Anderson, J. Melin, P.W. Ayers, Conceptual density-functional theory for general
chemical reactions including those that are neither charge-nor frontier-orbital controlled.
2. Application to molecules where frontier molecular orbital theory fails. J. Chem. Theory
Comput. 3, 375–389 (2007)
90. H. Okuda, K. Wakamatsu, S. Ito, T. Sota, Possible oxidative polymerization mechanism of
5,6-dihydroxyindole from ab initio calculations. J. Phys. Chem. A 112, 11213–11222 (2008)
91. R.G. Parr, W. Yang, Density functional approatch to the frontier-electron theory of chemical
reactivity. J. Am. Chem. Soc. 106, 4049–4050 (1984)
92. P. Fuentealba, P. Pérez, R. Contreras, On the condensed Fukui function. J. Chem. Phys. 113,
2544–2551 (2000)
93. S. Ito, G. Prota, A facile one-step synthesis of cysteinyldopas using mushroom tyrosinase.
Experimentia 33, 1118–1119 (1977)
94. A. Thompson, E.J. Land, M.R. Chedekel, K.V. Subbarao, T.G. Truscott, A pulse radiolysis
investigation of the oxidation of the melanin precursors 3,4-dihydroxyphenylalanine (dopa)
and the cysteinyldopas. Biochim. Biophys. Acta 843, 49–57 (1985)
95. A. Napolitano, P.D. Donato, G. Prota, E.J. Land, Transient quinonimines and 1,4benzothiazines of pheomelanogensis: new pulse radiolytic and spectrophotometric evidence.
Free Radic. Biol. Med. 27, 521–528 (1999)