-
2
-
-
0003816889
-
-
New York: Alan R. Liss
-
Cody V, Middleton EJR, Harborne JB, Beretz A (1988) Plant flavonoids in biology and medicine II: biochemical, cellular and medicinal properties. Alan R. Liss, New York.
-
(1988)
Plant Flavonoids in Biology and Medicine II: Biochemical, Cellular and Medicinal Properties
-
-
Cody, V.1
Middleton, E.J.R.2
Harborne, J.B.3
Beretz, A.4
-
3
-
-
0029844446
-
Antioxidant activities of flavonoids as bioactive components of food
-
Rice-Evans C, Miller N (1996) Antioxidant activities of flavonoids as bioactive components of food. Biochem Soc Trans 24: 790-794.
-
(1996)
Biochem Soc Trans
, vol.24
, pp. 790-794
-
-
Rice-Evans, C.1
Miller, N.2
-
4
-
-
0034736046
-
Advances in flavonoid research since 1992
-
Harborne JB, Williams CA (2000) Advances in flavonoid research since 1992. Phytochemisty 55: 481-504.
-
(2000)
Phytochemisty
, vol.55
, pp. 481-504
-
-
Harborne, J.B.1
Williams, C.A.2
-
6
-
-
0031020195
-
Antioxidant and prooxidant behavior of flavonoids: structure- activity relationships
-
Cao G, Sofic E, Prior R (1997) Antioxidant and prooxidant behavior of flavonoids: structure- activity relationships. Free Radical Biol Med 22(5): 749-760.
-
(1997)
Free Radical Biol Med
, vol.22
, Issue.5
, pp. 749-760
-
-
Cao, G.1
Sofic, E.2
Prior, R.3
-
7
-
-
0028263603
-
Degradation of polyphenols (catechin and tannic acid) in the rat intestinal tract. Effect on coloic fermentation and faecal output
-
Bravo L, Abia R, Eastwood MA, Saura-Calixto F (1994) Degradation of polyphenols (catechin and tannic acid) in the rat intestinal tract. Effect on coloic fermentation and faecal output. Br J Nutr 71: 933-946.
-
(1994)
Br J Nutr
, vol.71
, pp. 933-946
-
-
Bravo, L.1
Abia, R.2
Eastwood, M.A.3
Saura-Calixto, F.4
-
8
-
-
77956274995
-
-
Pryor WA (ed) (1976) Free radicals in biology, vol I. Academic Press, New York.
-
-
-
-
9
-
-
0022559216
-
Oxy-radicals and related species: their formation, lifetimes, and reactions
-
Pryor WA (1986) Oxy-radicals and related species: their formation, lifetimes, and reactions. Ann Rev Physiol 48: 657-667.
-
(1986)
Ann Rev Physiol
, vol.48
, pp. 657-667
-
-
Pryor, W.A.1
-
10
-
-
0018263443
-
The biology of oxygen radicals
-
Fridovich I (1978) The biology of oxygen radicals. Science 20: 875-880.
-
(1978)
Science
, vol.20
, pp. 875-880
-
-
Fridovich, I.1
-
11
-
-
3042780720
-
Proton-coupled electron transfer: a reaction chemist's view
-
Mayer JM (2004) Proton-coupled electron transfer: a reaction chemist's view. Annu Rev Phys Chem 55: 363-390.
-
(2004)
Annu Rev Phys Chem
, vol.55
, pp. 363-390
-
-
Mayer, J.M.1
-
12
-
-
34249088888
-
Lone pair-π and π-π interactions play an important role in proton-coupled electron transfer reactions
-
DiLabio GA, Johnson ER (2007) Lone pair-π and π-π interactions play an important role in proton-coupled electron transfer reactions. J Am Chem Soc 129: 6199-6203.
-
(2007)
J Am Chem Soc
, vol.129
, pp. 6199-6203
-
-
Dilabio, G.A.1
Johnson, E.R.2
-
13
-
-
18644375115
-
A theoretical study of the iminoxyl/oxime self-exchange reaction. A five-center, cyclic proton-coupled electron transfer
-
DiLabio GA, Ingold KU (2005) A theoretical study of the iminoxyl/oxime self-exchange reaction. A five-center, cyclic proton-coupled electron transfer. J Am Chem Soc 127: 6693-6699.
-
(2005)
J Am Chem Soc
, vol.127
, pp. 6693-6699
-
-
Dilabio, G.A.1
Ingold, K.U.2
-
15
-
-
15044366005
-
Why quantum-thermochemical calculations must be used with caution to indicate a promising lead antioxidant
-
Mulder P, Korth HG, Ingold KU (2005) Why quantum-thermochemical calculations must be used with caution to indicate "a promising lead antioxidant". Helvetica Chimica Acta 88: 370-374.
-
(2005)
Helvetica Chimica Acta
, vol.88
, pp. 370-374
-
-
Mulder, P.1
Korth, H.G.2
Ingold, K.U.3
-
16
-
-
43049141516
-
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals
-
Zhao Y, Truhlar DG (2008) The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor Chem Acc 120: 215-241.
-
(2008)
Theor Chem Acc
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
17
-
-
27344452533
-
-
Zhao Y, Schultz NE, Truhlar DG (2005) Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions. J Chem Phys 123: 161103(1-5).
-
-
-
-
18
-
-
33646464890
-
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
-
Zhao Y, Schultz NE, Truhlar DG (2006) Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions. J Chem Theory Comput 2(2): 364-382.
-
(2006)
J Chem Theory Comput
, vol.2
, Issue.2
, pp. 364-382
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
19
-
-
33845328066
-
-
Zhao Y, Truhlar DG (2006) A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions. J Chem Phys 125: 194101(1-18).
-
-
-
-
21
-
-
36649020243
-
An evaluation of harmonic vibrational frequency scale factors
-
Merrick JP, Moran D, Radom L (2007) An evaluation of harmonic vibrational frequency scale factors. J Phys Chem 111: 11683-11700.
-
(2007)
J Phys Chem
, vol.111
, pp. 11683-11700
-
-
Merrick, J.P.1
Moran, D.2
Radom, L.3
-
22
-
-
77956292756
-
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick AD, Rabuck KD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (2003) Gaussian 03, ReVision E. 01-SMP. Gaussian Inc., Pittsburgh.
-
-
-
-
23
-
-
0001234855
-
Structure of quercetin dihydrate
-
Jin GZ, Yamagata Y, Tomita KI (1990) Structure of quercetin dihydrate. Acta Cryst 46(2): 310-313.
-
(1990)
Acta Cryst
, vol.46
, Issue.2
, pp. 310-313
-
-
Jin, G.Z.1
Yamagata, Y.2
Tomita, K.I.3
-
24
-
-
2442417429
-
Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent
-
Leopoldini M, Marino T, Russo N, Toscano M (2004) Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent. Theor Chem Acc 111: 210-216.
-
(2004)
Theor Chem Acc
, vol.111
, pp. 210-216
-
-
Leopoldini, M.1
Marino, T.2
Russo, N.3
Toscano, M.4
-
25
-
-
67349279829
-
-
2 and OH radicals. J Mol Struct THEOCHEM. doi: 10. 1016/j. theochem. 2009. 02. 034.
-
-
-
-
26
-
-
0029888128
-
Structure-antioxidant activity relationships of flavonoids and phenolic acids
-
Rice-Evans CA, Miller NJ, Paganga G (1996) Structure-antioxidant activity relationships of flavonoids and phenolic acids. Free Radic Biol Med 20: 933-938.
-
(1996)
Free Radic Biol Med
, vol.20
, pp. 933-938
-
-
Rice-Evans, C.A.1
Miller, N.J.2
Paganga, G.3
-
27
-
-
0029921813
-
Structural aspects of antioxidant activity of flavonoids
-
van Acker SABE, van den Berg DJ, Tromp MNJL, Griffen DH, van Bennekom WP, van Der Vijgh WJ, Bast A (1996) Structural aspects of antioxidant activity of flavonoids. Free Radic Biol Med 20: 331-338.
-
(1996)
Free Radic Biol Med
, vol.20
, pp. 331-338
-
-
van Acker, S.A.B.E.1
van den Berg, D.J.2
Tromp, M.N.J.L.3
Griffen, D.H.4
van Bennekom, W.P.5
van der Vijgh, W.J.6
Bast, A.7
-
28
-
-
0033860031
-
A theoretical study of the conformational behavior and electronic structure of taxifolin correlated with the free radical-scavenging activity
-
Russo N, Toscano M, Uccella N (2000) A theoretical study of the conformational behavior and electronic structure of taxifolin correlated with the free radical-scavenging activity. J Agric Food Chem 48: 3232-3240.
-
(2000)
J Agric Food Chem
, vol.48
, pp. 3232-3240
-
-
Russo, N.1
Toscano, M.2
Uccella, N.3
-
29
-
-
0037108262
-
Quantum molecular modeling of quercetin-simulation of the interaction with the free radical t-BuOO
-
Vasilescu D, Girma R (2002) Quantum molecular modeling of quercetin-simulation of the interaction with the free radical t-BuOO. Int J Quantum Chem 90: 888-902.
-
(2002)
Int J Quantum Chem
, vol.90
, pp. 888-902
-
-
Vasilescu, D.1
Girma, R.2
-
30
-
-
0029852203
-
A quantum chemical explanation of the antioxidant activity of flavonoids
-
van Acker SABE, de Groot MJ, van den Berg DJ, Tromp MNJL, Donne′-Op den Kelder GM, Wim JF, van Der Vijgh WJF, Bast A (1996) A quantum chemical explanation of the antioxidant activity of flavonoids. Chem Res Toxicol 9: 1305-1312.
-
(1996)
Chem Res Toxicol
, vol.9
, pp. 1305-1312
-
-
van Acker, S.A.B.E.1
de Groot, M.J.2
van den Berg, D.J.3
Tromp, M.N.J.L.4
Donne-Op den Kelder, G.M.5
Wim, J.F.6
van der Vijgh, W.J.F.7
Bast, A.8
-
31
-
-
84962429291
-
Antioxidant properties of phenolic compounds: H-atom versus electron transfer mechanism
-
Leopoldini M, Marino T, Russo N, Toscano M (2004) Antioxidant properties of phenolic compounds: H-atom versus electron transfer mechanism. J Phys Chem A 108: 4916-4923.
-
(2004)
J Phys Chem A
, vol.108
, pp. 4916-4923
-
-
Leopoldini, M.1
Marino, T.2
Russo, N.3
Toscano, M.4
-
32
-
-
1642502300
-
Structure, conformation, and electronic properties of apigenin, luteolin, and taxifolin antioxidants. A first principle theoretical study
-
Leopoldini M, Pitarch IP, Russo N, Toscano M (2004) Structure, conformation, and electronic properties of apigenin, luteolin, and taxifolin antioxidants. A first principle theoretical study. J Phys Chem A 108: 92-96.
-
(2004)
J Phys Chem A
, vol.108
, pp. 92-96
-
-
Leopoldini, M.1
Pitarch, I.P.2
Russo, N.3
Toscano, M.4
-
33
-
-
31844444029
-
A DFT study of the reactivity of OH groups in quercetin and taxifolin antioxidants: the specificity of the 3-OH site
-
Trouillas P, Marsal P, Siri D, Lazzaroni R, Duroux JL (2006) A DFT study of the reactivity of OH groups in quercetin and taxifolin antioxidants: the specificity of the 3-OH site. Food Chem 97: 679-688.
-
(2006)
Food Chem
, vol.97
, pp. 679-688
-
-
Trouillas, P.1
Marsal, P.2
Siri, D.3
Lazzaroni, R.4
Duroux, J.L.5
-
34
-
-
0035478933
-
The influence of pH on antioxidant properties and the mechanism of antioxidant action of hydroxyflavones
-
Lemaska K, Szymusiak H, Tyrakowska B, Zieliski R, Soffers AEMF, Rietjens IMCM (2001) The influence of pH on antioxidant properties and the mechanism of antioxidant action of hydroxyflavones. Free Rad Biol Med 31: 869-881.
-
(2001)
Free Rad Biol Med
, vol.31
, pp. 869-881
-
-
Lemaska, K.1
Szymusiak, H.2
Tyrakowska, B.3
Zieliski, R.4
Soffers, A.E.M.F.5
Rietjens, I.M.C.M.6
-
35
-
-
1542378822
-
A critical evaluation of the factors determining the effect of intramolecular hydrogen bonding on the O-H bond dissociation enthalpy of catechol and of flavonoid antioxidants
-
Lucarini M, Pedulli GF, Guerra M (2004) A critical evaluation of the factors determining the effect of intramolecular hydrogen bonding on the O-H bond dissociation enthalpy of catechol and of flavonoid antioxidants. Chem Eur J 10: 933-939.
-
(2004)
Chem Eur J
, vol.10
, pp. 933-939
-
-
Lucarini, M.1
Pedulli, G.F.2
Guerra, M.3
-
36
-
-
0142011665
-
Role of phenolic O-H and methylene hydrogen on the free radical reactions and antioxidant activity of curcumin
-
Priyadarsini KI, Maity DK, Naik GH, Kumar MS, Unnikrishnan MK, Satav JG (2003) Role of phenolic O-H and methylene hydrogen on the free radical reactions and antioxidant activity of curcumin. Free Radic Biol Med 35: 475-484.
-
(2003)
Free Radic Biol Med
, vol.35
, pp. 475-484
-
-
Priyadarsini, K.I.1
Maity, D.K.2
Naik, G.H.3
Kumar, M.S.4
Unnikrishnan, M.K.5
Satav, J.G.6
-
37
-
-
3242723376
-
A theoretical study of the conformational behavior and electronic structure of taxifolin correlated with the free radical-scavenging activity
-
Trouillas P, Fagne're C, Lazzaroni R, Calliste CA, Marfak A, Duroux JL (2004) A theoretical study of the conformational behavior and electronic structure of taxifolin correlated with the free radical-scavenging activity. Food Chem 88: 571-582.
-
(2004)
Food Chem
, vol.88
, pp. 571-582
-
-
Trouillas, P.1
Fagne're, C.2
Lazzaroni, R.3
Calliste, C.A.4
Marfak, A.5
Duroux, J.L.6
-
38
-
-
0035857407
-
Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants
-
Wright JS, Johnson ER, DiLabio GA (2001) Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants. J Am Chem Soc 123: 1173-1183.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 1173-1183
-
-
Wright, J.S.1
Johnson, E.R.2
Dilabio, G.A.3
-
39
-
-
0034868284
-
O-H bond dissociation energies of phenolic compounds are determined by field/inductive effect or resonance effect. A DFT study and its implication
-
Zhang HY, Sun YM, Chen DZ (2001) O-H bond dissociation energies of phenolic compounds are determined by field/inductive effect or resonance effect. A DFT study and its implication. QSAR 20: 148-152.
-
(2001)
Qsar
, vol.20
, pp. 148-152
-
-
Zhang, H.Y.1
Sun, Y.M.2
Chen, D.Z.3
-
40
-
-
0037455262
-
Substituent effects on O-H bond dissociation enthalpies and ionization potentials of catechols: a DFT study and its implications in the rational design of phenolic antioxidants and elucidation of structure-activity relationships for flavonoid antioxidants
-
Zhang HY, Sun YM, Wang XL (2003) Substituent effects on O-H bond dissociation enthalpies and ionization potentials of catechols: a DFT study and its implications in the rational design of phenolic antioxidants and elucidation of structure-activity relationships for flavonoid antioxidants. Chem Eur J 9: 502-508.
-
(2003)
Chem Eur J
, vol.9
, pp. 502-508
-
-
Zhang, H.Y.1
Sun, Y.M.2
Wang, X.L.3
-
41
-
-
9644295549
-
On the effectiveness of the EPR radical equilibration technique in estimating O-H bond dissociation enthalpies of catechols and other complex polyphenols
-
Zhang HY (2004) On the effectiveness of the EPR radical equilibration technique in estimating O-H bond dissociation enthalpies of catechols and other complex polyphenols. New J Chem 28: 1284-1285.
-
(2004)
New J Chem
, vol.28
, pp. 1284-1285
-
-
Zhang, H.Y.1
-
42
-
-
28044451321
-
Progressive systematic underestimation of reaction energies by the B3LYP model as the number of C-C bonds increases: why organic chemists should use multiple DFT models for calculations involving polycarbon hydrocarbons
-
Check CE, Gilbert TM (2005) Progressive systematic underestimation of reaction energies by the B3LYP model as the number of C-C bonds increases: why organic chemists should use multiple DFT models for calculations involving polycarbon hydrocarbons. J Org Chem 70: 9828-9834.
-
(2005)
J Org Chem
, vol.70
, pp. 9828-9834
-
-
Check, C.E.1
Gilbert, T.M.2
-
43
-
-
0033706383
-
Assessment of Gaussian-3 and density functional theories for enthalpies of formation of C1-C16 alkanes
-
Redfern PC, Zapol P, Curtiss LA, Raghavachari K (2000) Assessment of Gaussian-3 and density functional theories for enthalpies of formation of C1-C16 alkanes. J Phys Chem A 104: 5850-5854.
-
(2000)
J Phys Chem A
, vol.104
, pp. 5850-5854
-
-
Redfern, P.C.1
Zapol, P.2
Curtiss, L.A.3
Raghavachari, K.4
-
44
-
-
33746307900
-
Seemingly simple stereoelectronic effects in alkane isomers and the implications for Kohn-Sham density functional theory
-
Grimme S (2006) Seemingly simple stereoelectronic effects in alkane isomers and the implications for Kohn-Sham density functional theory. Angew Chem Int Ed 45: 4460-4464.
-
(2006)
Angew Chem Int Ed
, vol.45
, pp. 4460-4464
-
-
Grimme, S.1
-
45
-
-
15744383667
-
Critical re-evaluation of the O-H bond dissociation enthalpy in phenol
-
Mulder P, Horth HG, Pratt DA, DiLabio GA, Valgimigli L, Pediulli GF, Ingold KU (2005) Critical re-evaluation of the O-H bond dissociation enthalpy in phenol. J Phys Chem A 109: 2647-2655.
-
(2005)
J Phys Chem A
, vol.109
, pp. 2647-2655
-
-
Mulder, P.1
Horth, H.G.2
Pratt, D.A.3
Dilabio, G.A.4
Valgimigli, L.5
Pediulli, G.F.6
Ingold, K.U.7
-
46
-
-
12344290724
-
Radical scavenging potential of phenolic compounds encountered in O. europaea products as indicated by calculation of bond dissociation enthalpy and ionization potential values
-
Menadis N, Wang LF, Tsimidou MZ, Zhang HY (2005) Radical scavenging potential of phenolic compounds encountered in O. europaea products as indicated by calculation of bond dissociation enthalpy and ionization potential values. J Agric Food Chem 53: 295-303.
-
(2005)
J Agric Food Chem
, vol.53
, pp. 295-303
-
-
Menadis, N.1
Wang, L.F.2
Tsimidou, M.Z.3
Zhang, H.Y.4
-
47
-
-
0001107787
-
Theoretical study of X-H bond energetics (X = C, N, O, S): application to substituent effects, gas phase acidities, and redox potentials
-
DiLabio GA, Pratt DA, LoFaro AD, Wright JS (1999) Theoretical study of X-H bond energetics (X = C, N, O, S): application to substituent effects, gas phase acidities, and redox potentials. J Phys Chem A 103: 1653-1661.
-
(1999)
J Phys Chem A
, vol.103
, pp. 1653-1661
-
-
Dilabio, G.A.1
Pratt, D.A.2
Lofaro, A.D.3
Wright, J.S.4
-
48
-
-
34250854547
-
Accurate bond dissociation enthalpies of popular antioxidants predicted by the ONIOM-G3B3 method
-
Li MJ, Liu L, Fu Y, Guo QX (2007) Accurate bond dissociation enthalpies of popular antioxidants predicted by the ONIOM-G3B3 method. J Mol Struct THEOCHEM 815: 1-9.
-
(2007)
J Mol Struct THEOCHEM
, vol.815
, pp. 1-9
-
-
Li, M.J.1
Liu, L.2
Fu, Y.3
Guo, Q.X.4
-
49
-
-
64249121215
-
Acidity of hydroxyl groups: an overlooked influence on antiradical properties of flavonoids
-
Musialik M, Kuzmicz R, Pawłowski TS, Litwinienko G (2009) Acidity of hydroxyl groups: an overlooked influence on antiradical properties of flavonoids. J Org Chem 74: 2699-2709.
-
(2009)
J Org Chem
, vol.74
, pp. 2699-2709
-
-
Musialik, M.1
Kuzmicz, R.2
Pawłowski, T.S.3
Litwinienko, G.4
-
50
-
-
0002972267
-
Synthesis and characterization of copper(I) and copper (II) flavonolate complexes with phthalazine ligand, and their oxygenation and relevance to quercetinase
-
Balogh-Hergovich E, Kaiser J, Speier G (1997) Synthesis and characterization of copper(I) and copper (II) flavonolate complexes with phthalazine ligand, and their oxygenation and relevance to quercetinase. Inorg Chim Acta 256: 9-14.
-
(1997)
Inorg Chim Acta
, vol.256
, pp. 9-14
-
-
Balogh-Hergovich, E.1
Kaiser, J.2
Speier, G.3
-
51
-
-
0347948520
-
Reactivity of flavonoids with 1-hydroxyethyl radical: a γ-radiolysis study
-
Marfak A, Trouillas P, Allais DP, Calliste CA, Duroux JL (2004) Reactivity of flavonoids with 1-hydroxyethyl radical: a γ-radiolysis study. Biochem Biophys Acta Gen Subjects 1670: 28-39.
-
(2004)
Biochem Biophys Acta Gen Subjects
, vol.1670
, pp. 28-39
-
-
Marfak, A.1
Trouillas, P.2
Allais, D.P.3
Calliste, C.A.4
Duroux, J.L.5
|