-
1
-
-
0038408778
-
Phenolic acids in foods: An overview of analytical methodology
-
PMID: 12720366
-
Robbins RJ. Phenolic acids in foods: An overview of analytical methodology. J Agric Food Chem 2003; 51: 2866-2887. PMID: 12720366
-
(2003)
J Agric Food Chem
, vol.51
, pp. 2866-2887
-
-
Robbins, R.J.1
-
2
-
-
84882779240
-
The role of polyphenols in the modulation of sirtuins and other pathways involved in Alzheimer's disease
-
PMID: 23831960
-
Jayasena T, Poljak A, Smythe G, Braidy N, Munch G, Sachdev P. The role of polyphenols in the modulation of sirtuins and other pathways involved in Alzheimer's disease. Ageing Res Rev 2013; 12: 867-883. doi: 10.1016/j.arr.2013.06.003 PMID: 23831960
-
(2013)
Ageing Res Rev
, vol.12
, pp. 867-883
-
-
Jayasena, T.1
Poljak, A.2
Smythe, G.3
Braidy, N.4
Munch, G.5
Sachdev, P.6
-
3
-
-
84879095158
-
Perspectives on natural product epigenetic modulators in chemical biology and medicine
-
PMID: 23396528
-
Cherblanc FL, Davidson RWM, Di Fruscia P, Srimongkolpithak N, Fuchter MJ. Perspectives on natural product epigenetic modulators in chemical biology and medicine. Nat Prod Rep 2013; 30: 605-624. doi: 10.1039/c3np20097c PMID: 23396528
-
(2013)
Nat Prod Rep
, vol.30
, pp. 605-624
-
-
Cherblanc, F.L.1
Davidson, R.W.M.2
Di Fruscia, P.3
Srimongkolpithak, N.4
Fuchter, M.J.5
-
4
-
-
2442430353
-
Polyphenols: Food sources and bioavailability
-
PMID: 15113710
-
Manach C, Scalbert A, Morand C, Remesy C, Jimenez L. Polyphenols: food sources and bioavailability. Am J Clin Nutr 2004; 79: 727-747. PMID: 15113710
-
(2004)
Am J Clin Nutr
, vol.79
, pp. 727-747
-
-
Manach, C.1
Scalbert, A.2
Morand, C.3
Remesy, C.4
Jimenez, L.5
-
5
-
-
84859571558
-
DPPH radical scavenging activity of Tricin and its conjugates isolated from "javara" Rice Bran: A density functional theory study
-
PMID: 22397636
-
Ajitha MJ, Mohanlal S, Suresh CH, Jayalekshmy A. DPPH radical scavenging activity of Tricin and its conjugates isolated from "javara" Rice Bran: A density functional theory study. J Agric Food Chem 2012; 60: 3693-3699. doi: 10.1021/jf204826e PMID: 22397636
-
(2012)
J Agric Food Chem
, vol.60
, pp. 3693-3699
-
-
Ajitha, M.J.1
Mohanlal, S.2
Suresh, C.H.3
Jayalekshmy, A.4
-
6
-
-
0035857407
-
Predicting the activity of phenolic antioxidants: Theoretical method, analysis of substituent effects, and application to major families of antioxidants
-
PMID: 11456671
-
Wright JS, Johnson ER, DiLabio GA. Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants. J Am Chem Soc 2001; 123: 1173-1183. PMID: 11456671
-
(2001)
J Am Chem Soc
, vol.123
, pp. 1173-1183
-
-
Wright, J.S.1
Johnson, E.R.2
DiLabio, G.A.3
-
7
-
-
34247894012
-
DFT study of quercetin activated forms involved in antiradical, antioxidant, and prooxidant biological processes
-
PMID: 17263492
-
Fiorucci S, Golebiowski J, Cabrol-Bass D, Antonczak S. DFT study of quercetin activated forms involved in antiradical, antioxidant, and prooxidant biological processes. J Agric Food Chem 2007; 55: 903-911. PMID: 17263492
-
(2007)
J Agric Food Chem
, vol.55
, pp. 903-911
-
-
Fiorucci, S.1
Golebiowski, J.2
Cabrol-Bass, D.3
Antonczak, S.4
-
8
-
-
34247143185
-
Solvent effects on the rates and mechanisms of reaction of phenols with free radicals
-
PMID: 17370994
-
Litwinienko G, Ingold KU. Solvent effects on the rates and mechanisms of reaction of phenols with free radicals. Acc Chem Res 2007; 40: 222-230. PMID: 17370994
-
(2007)
Acc Chem Res
, vol.40
, pp. 222-230
-
-
Litwinienko, G.1
Ingold, K.U.2
-
9
-
-
44449157255
-
A unified perspective on the hydrogen atom transfer and proton-coupled electron transfer mechanisms in terms of topographic features of the ground and excited potential energy surfaces as exemplified by the reaction between phenol and radicals
-
PMID: 18465862
-
Tishchenko O, Truhlar DG, Ceulemans A, Nguyen MT. A unified perspective on the hydrogen atom transfer and proton-coupled electron transfer mechanisms in terms of topographic features of the ground and excited potential energy surfaces as exemplified by the reaction between phenol and radicals. J Am Chem Soc 2008; 130: 7000-7010. doi: 10.1021/ja7102907 PMID: 18465862
-
(2008)
J Am Chem Soc
, vol.130
, pp. 7000-7010
-
-
Tishchenko, O.1
Truhlar, D.G.2
Ceulemans, A.3
Nguyen, M.T.4
-
10
-
-
84962433222
-
The molecular basis of working mechanism of natural polyphenolic antioxidants
-
Leopoldini M, Russo N, Toscano M. The molecular basis of working mechanism of natural polyphenolic antioxidants. Food Chem 2011; 125: 288-306.
-
(2011)
Food Chem
, vol.125
, pp. 288-306
-
-
Leopoldini, M.1
Russo, N.2
Toscano, M.3
-
11
-
-
84890040004
-
Density functional theory study of the structure-antioxidant activity of polyphenolic deoxybenzoins
-
PMID: 24423521
-
Xue Y, Zheng Y, An L, Dou Y, Liu Y. Density functional theory study of the structure-antioxidant activity of polyphenolic deoxybenzoins. Food Chem 2014; 151: 198-206. doi: 10.1016/j.foodchem.2013.11.064 PMID: 24423521
-
(2014)
Food Chem
, vol.151
, pp. 198-206
-
-
Xue, Y.1
Zheng, Y.2
An, L.3
Dou, Y.4
Liu, Y.5
-
12
-
-
84874051565
-
Theoretical investigation on antioxidant activity of bromophenols from the marine red alga Rhodomela confervoides: H-atom vs electron transfer mechanism
-
PMID: 23347257
-
Javan AJ, Javan MJ, Tehrani ZA. Theoretical investigation on antioxidant activity of bromophenols from the marine red alga Rhodomela confervoides: H-atom vs electron transfer mechanism. J Agric Food Chem 2013; 61: 1534-1541. doi: 10.1021/jf304926m PMID: 23347257
-
(2013)
J Agric Food Chem
, vol.61
, pp. 1534-1541
-
-
Javan, A.J.1
Javan, M.J.2
Tehrani, Z.A.3
-
13
-
-
84879043123
-
Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues
-
PMID: 23870923
-
Mazzone G, Malaj N, Russo N, Toscano M. Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues. Food Chem 2013; 141: 2017-2024. doi: 10.1016/j.foodchem.2013.05.071 PMID: 23870923
-
(2013)
Food Chem
, vol.141
, pp. 2017-2024
-
-
Mazzone, G.1
Malaj, N.2
Russo, N.3
Toscano, M.4
-
14
-
-
84862286409
-
Contribution of DFT computed molecular descriptors in the study of radical scavenging activity trend of natural hydroxybenzaldehydes and corresponding acids
-
Nenadis N, Tsimidou MZ. Contribution of DFT computed molecular descriptors in the study of radical scavenging activity trend of natural hydroxybenzaldehydes and corresponding acids. Food Res Int 2012; 48: 538-543.
-
(2012)
Food Res Int
, vol.48
, pp. 538-543
-
-
Nenadis, N.1
Tsimidou, M.Z.2
-
15
-
-
7044220478
-
Antioxidant activities of buckwheat extracts
-
Sun T, Ho C-T. Antioxidant activities of buckwheat extracts. Food Chem 2005; 90: 743-749.
-
(2005)
Food Chem
, vol.90
, pp. 743-749
-
-
Sun, T.1
Ho, C.-T.2
-
16
-
-
84900802785
-
Re-evaluation of the 2,2-Diphenyl-1-picrylhydrazyl free radical (DPPH) assay for antioxidant activity
-
PMID: 24738928
-
Xie J, Schaich KM. Re-evaluation of the 2,2-Diphenyl-1-picrylhydrazyl free radical (DPPH) assay for antioxidant activity. J Agric Food Chem 2014; 62: 4251-4260. doi: 10.1021/jf500180u PMID: 24738928
-
(2014)
J Agric Food Chem
, vol.62
, pp. 4251-4260
-
-
Xie, J.1
Schaich, K.M.2
-
17
-
-
0242500948
-
Structure-antioxidant activity relationship of ferulic acid derivatives:Effect of carbon side chain characteristic groups
-
PMID: 12643644
-
Nenadis N, Zhang HY, Tsimidou MZ. Structure-antioxidant activity relationship of ferulic acid derivatives: effect of carbon side chain characteristic groups. J Agric Food Chem 2003; 51: 1874-1879. PMID: 12643644
-
(2003)
J Agric Food Chem
, vol.51
, pp. 1874-1879
-
-
Nenadis, N.1
Zhang, H.Y.2
Tsimidou, M.Z.3
-
18
-
-
84881100248
-
On the radical scavenging activity of isoflavones: Thermodynamics of O-H bond cleavage
-
PMID: 23698223
-
Lengyel J, Rimarcik J, Vaganek A, Klein E. On the radical scavenging activity of isoflavones: thermodynamics of O-H bond cleavage. Phys Chem Chem Phys 2013; 15: 10895-10903. doi: 10.1039/c3cp00095h PMID: 23698223
-
(2013)
Phys Chem Chem Phys
, vol.15
, pp. 10895-10903
-
-
Lengyel, J.1
Rimarcik, J.2
Vaganek, A.3
Klein, E.4
-
19
-
-
0034810395
-
5-Pyrimidinols: Novel chain-breaking antioxidants more effective than phenols
-
PMID: 11457259
-
Pratt DA, DiLabio GA, Brigati G, Pedulli GF, Valgimigli L. 5-Pyrimidinols: novel chain-breaking antioxidants more effective than phenols. J Am Chem Soc 2001; 123: 4625-4626. PMID: 11457259
-
(2001)
J Am Chem Soc
, vol.123
, pp. 4625-4626
-
-
Pratt, D.A.1
DiLabio, G.A.2
Brigati, G.3
Pedulli, G.F.4
Valgimigli, L.5
-
20
-
-
0141645551
-
6-Amino-3-pyridinols: Towards diffusion-controlled chain-breaking antioxidants
-
PMID: 14502714
-
Wijtmans M, Pratt DA, Valgimigli L, DiLabio GA, Pedulli GF, Porter NA. 6-Amino-3-pyridinols: towards diffusion-controlled chain-breaking antioxidants. Angew Chem Int Ed Engl 2003; 42: 4370-4373. PMID: 14502714
-
(2003)
Angew Chem Int Ed Engl
, vol.42
, pp. 4370-4373
-
-
Wijtmans, M.1
Pratt, D.A.2
Valgimigli, L.3
DiLabio, G.A.4
Pedulli, G.F.5
Porter, N.A.6
-
21
-
-
0344686473
-
Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies
-
PMID: 14632451
-
Feng Y, Liu L, Wang J-T, Huang H, Guo Q-X. Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energies. J Chem Inf Comput Sci 2003; 43: 2005-2013. PMID: 14632451
-
(2003)
J Chem Inf Comput Sci
, vol.43
, pp. 2005-2013
-
-
Feng, Y.1
Liu, L.2
Wang, J.-T.3
Huang, H.4
Guo, Q.-X.5
-
22
-
-
34447521097
-
Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients
-
Hansch C, Maloney PP, Fujita T, Muir RM. Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients. Nature 1962; 194: 178-180.
-
(1962)
Nature
, vol.194
, pp. 178-180
-
-
Hansch, C.1
Maloney, P.P.2
Fujita, T.3
Muir, R.M.4
-
23
-
-
60549116507
-
A set of new amino acid descriptors applied in prediction of MHC class I binding peptides
-
PMID: 18662841
-
Liang G, Yang L, Chen Z, Mei H, Shu M, Li Z. A set of new amino acid descriptors applied in prediction of MHC class I binding peptides. Eur J Med Chem 2009; 44: 1144-1154. doi: 10.1016/j.ejmech.2008.06.011 PMID: 18662841
-
(2009)
Eur J Med Chem
, vol.44
, pp. 1144-1154
-
-
Liang, G.1
Yang, L.2
Chen, Z.3
Mei, H.4
Shu, M.5
Li, Z.6
-
24
-
-
73349083717
-
Toward the development of "nano-QSARs": Advances and challenges
-
PMID: 19787675
-
Puzyn T, Leszczynska D, Leszczynski J. Toward the development of "nano-QSARs": advances and challenges. Small 2009; 5: 2494-2509. doi: 10.1002/smll.200900179 PMID: 19787675
-
(2009)
Small
, vol.5
, pp. 2494-2509
-
-
Puzyn, T.1
Leszczynska, D.2
Leszczynski, J.3
-
25
-
-
79952372146
-
Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles
-
PMID: 21317892
-
Puzyn T, Rasulev B, Gajewicz A, Hu X, Dasari TP, Michalkova A, et al. Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles. Nat Nanotechnol 2011; 6: 175-178. doi: 10.1038/nnano.2011.10 PMID: 21317892
-
(2011)
Nat Nanotechnol
, vol.6
, pp. 175-178
-
-
Puzyn, T.1
Rasulev, B.2
Gajewicz, A.3
Hu, X.4
Dasari, T.P.5
Michalkova, A.6
-
26
-
-
33748668003
-
A priori theoretical prediction of selectivity in asymmetric catalysis: Design of chiral catalysts by using quantum molecular interaction fields
-
PMID: 16906498
-
Ianni JC, Annamalai V, Phuan P-W, Panda M, Kozlowski MC. A priori theoretical prediction of selectivity in asymmetric catalysis: design of chiral catalysts by using quantum molecular interaction fields. Angew Chem Int Ed 2006; 45: 5502-5505. PMID: 16906498
-
(2006)
Angew Chem Int Ed
, vol.45
, pp. 5502-5505
-
-
Ianni, J.C.1
Annamalai, V.2
Phuan, P.-W.3
Panda, M.4
Kozlowski, M.C.5
-
27
-
-
84899881824
-
QSAR modeling: Where have you been? Where are you going to?
-
PMID: 24351051
-
Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, et al. QSAR modeling: Where have you been? Where are you going to? J Med Chem 2014; 57: 4977-5010. doi: 10.1021/jm4004285 PMID: 24351051
-
(2014)
J Med Chem
, vol.57
, pp. 4977-5010
-
-
Cherkasov, A.1
Muratov, E.N.2
Fourches, D.3
Varnek, A.4
Baskin, I.I.5
Cronin, M.6
-
28
-
-
84889581795
-
Chemical predictive modelling to improve compound quality
-
PMID: 24287782
-
Cumming JG, Davis AM, Muresan S, Haeberlein M, Chen H. Chemical predictive modelling to improve compound quality. Nat Rev Drug Discov 2013; 12: 948-962. doi: 10.1038/nrd4128 PMID: 24287782
-
(2013)
Nat Rev Drug Discov
, vol.12
, pp. 948-962
-
-
Cumming, J.G.1
Davis, A.M.2
Muresan, S.3
Haeberlein, M.4
Chen, H.5
-
29
-
-
84891537737
-
Towards an improved prediction of the free radical scavenging potency of flavonoids: The significance of double PCET mechanisms
-
PMID: 24444978
-
Amić A, Marković Z, Dimitrić Marković JM, Stepanić V, Luèić B, Amić D. Towards an improved prediction of the free radical scavenging potency of flavonoids: The significance of double PCET mechanisms. Food Chem 2014; 152: 578-585. doi: 10.1016/j.foodchem.2013.12.025 PMID: 24444978
-
(2014)
Food Chem
, vol.152
, pp. 578-585
-
-
Amić, A.1
Marković, Z.2
Dimitrić Marković, J.M.3
Stepanić, V.4
Luèić, B.5
Amić, D.6
-
30
-
-
84878490863
-
Bond dissociation free energy as a general parameter for flavonoid radical scavenging activity
-
PMID: 23790952
-
Stepanic V, Troselj KG, Lucic B, Markovic Z, Amic D. Bond dissociation free energy as a general parameter for flavonoid radical scavenging activity. Food Chem 2013; 141: 1562-1570. doi: 10.1016/j. foodchem.2013.03.072 PMID: 23790952
-
(2013)
Food Chem
, vol.141
, pp. 1562-1570
-
-
Stepanic, V.1
Troselj, K.G.2
Lucic, B.3
Markovic, Z.4
Amic, D.5
-
31
-
-
0036613877
-
Review: Methods used to evaluate the free radical scavenging activity in foods and biological systems
-
Sánchez-Moreno C. Review: Methods used to evaluate the free radical scavenging activity in foods and biological systems. Food Sci Technol Int 2002; 8: 121-137.
-
(2002)
Food Sci Technol Int
, vol.8
, pp. 121-137
-
-
Sánchez-Moreno, C.1
-
32
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke AD. Density-functional thermochemistry. III. The role of exact exchange. J Chem Phys 1993; 98: 5648-5652.
-
(1993)
J Chem Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
33
-
-
2442617487
-
Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
-
Binkley JS, Pople JA, Hehre WJ. Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements. J Am Chem Soc 1980; 102: 939-947.
-
(1980)
J am Chem Soc
, vol.102
, pp. 939-947
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
34
-
-
0031209054
-
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
-
Cancès E, Mennucci B, Tomasi J. A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics. J Chem Phys 1997; 107: 3032-3041.
-
(1997)
J Chem Phys
, vol.107
, pp. 3032-3041
-
-
Cancès, E.1
Mennucci, B.2
Tomasi, J.3
-
35
-
-
33751159032
-
Thermodynamics of the electron and the proton
-
Bartmess JE. Thermodynamics of the electron and the proton. J Phys Chem 1994; 98: 6420-6424.
-
(1994)
J Phys Chem
, vol.98
, pp. 6420-6424
-
-
Bartmess, J.E.1
-
36
-
-
77954818795
-
Study of the solvent effect on the enthalpies of homolytic and heterolytic N-H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine
-
Rimarcik J, Lukeš V, Klein E, Ilèin M. Study of the solvent effect on the enthalpies of homolytic and heterolytic N-H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine. J Mol Struct THEOCHEM 2010; 952: 25-30.
-
(2010)
J Mol Struct THEOCHEM
, vol.952
, pp. 25-30
-
-
Rimarcik, J.1
Lukeš, V.2
Klein, E.3
Ilèin, M.4
-
37
-
-
0001239596
-
Homolytic bond (H-A) dissociation free energies in solution. Applications of the standard potential of the (H+/H.Bul.) couple
-
Parker VD. Homolytic bond (H-A) dissociation free energies in solution. Applications of the standard potential of the (H+/H.bul.) couple. J Am Chem Soc 1992; 114: 7458-7462.
-
(1992)
J am Chem Soc
, vol.114
, pp. 7458-7462
-
-
Parker, V.D.1
-
38
-
-
0006895855
-
Substituent effects on the O -H bond dissociation enthalpies in phenolic compounds: Agreements and controversies
-
Bizarro MM, Costa Cabral BJ, Borges dos Santos RM, Martinho Simões JA. Substituent effects on the O -H bond dissociation enthalpies in phenolic compounds: Agreements and controversies. Pure Appl Chem 1999; 71: 1249-1256.
-
(1999)
Pure Appl Chem
, vol.71
, pp. 1249-1256
-
-
Bizarro, M.M.1
Costa Cabral, B.J.2
Borges Dos Santos, R.M.3
Martinho Simões, J.A.4
-
39
-
-
70450206724
-
-
Gaussian, Inc.: Wallingford CT
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, et al. Gaussian 09 2009: Gaussian, Inc.: Wallingford CT.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
-
40
-
-
34548606295
-
Recent progress in protein subcellular location prediction
-
PMID: 17698024
-
Chou KC, Shen HB. Recent progress in protein subcellular location prediction. Anal Biochem 2007; 370: 1-16. PMID: 17698024
-
(2007)
Anal Biochem
, vol.370
, pp. 1-16
-
-
Chou, K.C.1
Shen, H.B.2
-
41
-
-
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. Structure, conformation, and electronic properties of Apigenin, Luteolin, and Taxifolin antioxidants. A first principle theoretical study. J Phys Chem A 2003; 108: 92-96.
-
(2003)
J Phys Chem A
, vol.108
, pp. 92-96
-
-
Leopoldini, M.1
Pitarch, I.P.2
Russo, N.3
Toscano, M.4
-
42
-
-
0001728908
-
Quantum-chemical descriptors in QSAR/QSPR studies
-
PMID: 11848779
-
Karelson M, Lobanov VS, Katritzky AR. Quantum-chemical descriptors in QSAR/QSPR studies. Chem Rev 1996; 96: 1027-1044. PMID: 11848779
-
(1996)
Chem Rev
, vol.96
, pp. 1027-1044
-
-
Karelson, M.1
Lobanov, V.S.2
Katritzky, A.R.3
-
43
-
-
84885447865
-
Density functional predictions of antioxidant activity and UV spectral features of Nasutin A, Isonasutin, Ellagic Acid, and one of its possible derivatives
-
PMID: 24024615
-
Mazzone G, Toscano M, Russo N. Density functional predictions of antioxidant activity and UV spectral features of Nasutin A, Isonasutin, Ellagic Acid, and one of its possible derivatives. J Agric Food Chem 2013; 61: 9650-9657. doi: 10.1021/jf403262k PMID: 24024615
-
(2013)
J Agric Food Chem
, vol.61
, pp. 9650-9657
-
-
Mazzone, G.1
Toscano, M.2
Russo, N.3
-
44
-
-
33845185172
-
A new population analysis based on atomic polar tensors
-
Cioslowski J. A new population analysis based on atomic polar tensors. J Am Chem Soc 1989; 111: 8333-8336.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 8333-8336
-
-
Cioslowski, J.1
|