메뉴 건너뛰기




Volumn 13, Issue 11, 2012, Pages 15387-15400

Predicting retention times of naturally occurring phenolic compounds in reversed-phase liquid chromatography: A quantitative structure-retention relationship (QSRR) Approach

Author keywords

Artificial neural networks; Naturally occurring phenolic compounds; QSRR (quantitative structure retention relationship); Reversed phase liquid chromatography; Unsupervised forward selection

Indexed keywords

PHENOL DERIVATIVE;

EID: 84870708068     PISSN: 16616596     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms131115387     Document Type: Article
Times cited : (21)

References (41)
  • 2
    • 0004196682 scopus 로고
    • Technomic Publishing: Lancaster, PA, USA
    • Shahidi, F.; Naczk, M. Food Phenolics; Technomic Publishing: Lancaster, PA, USA, 1995.
    • (1995) Food Phenolics
    • Shahidi, F.1    Naczk, M.2
  • 3
    • 33747374655 scopus 로고    scopus 로고
    • Phenolics in cereals, fruits and vegetables: Occurrence, extraction and analysis
    • Naczk, M.; Shahidi, F. Phenolics in cereals, fruits and vegetables: Occurrence, extraction and analysis. J. Pharmaceut. Biomed. 2006, 41, 1523-1542.
    • (2006) J. Pharmaceut. Biomed. , vol.41 , pp. 1523-1542
    • Naczk, M.1    Shahidi, F.2
  • 4
    • 84862506264 scopus 로고    scopus 로고
    • Proximate composition and antioxidant potential of leaves from three varieties of Mulberry (Morus sp.): A comparative study
    • Iqbal, S.; Younas, U.; Sirajuddin; Chan, K.W.; Sarfraz, R.A.; Uddin, M.K. Proximate composition and antioxidant potential of leaves from three varieties of Mulberry (Morus sp.): A comparative study. Int. J. Mol. Sci. 2012, 13, 6651-6664.
    • (2012) Int. J. Mol. Sci. , vol.13 , pp. 6651-6664
    • Iqbal, S.1    Younas, U.2    Sirajuddin Chan, K.W.3    Sarfraz, R.A.4    Uddin, M.K.5
  • 5
    • 0024793872 scopus 로고
    • Ccurrence and content of hydroxycinnamic and hydroxybenzoic acid compounds in foods
    • Herrmann, K. Ccurrence and content of hydroxycinnamic and hydroxybenzoic acid compounds in foods. Crit. Rev. Food Sci. Nutr. 1989, 28, 315-347.
    • (1989) Crit. Rev. Food Sci. Nutr. , vol.28 , pp. 315-347
    • Herrmann, K.1
  • 7
    • 33751391670 scopus 로고
    • Optimization of a quantitative HPLC determination of potentially anticarcinogenic flavonoids in vegetables and fruits
    • Hertog, M.G.L.; Hollman, P.C.H.; Venema, D.P. Optimization of a quantitative HPLC determination of potentially anticarcinogenic flavonoids in vegetables and fruits. J. Agric. Food Chem. 1992, 40, 1591-1598.
    • (1992) J. Agric. Food Chem. , vol.40 , pp. 1591-1598
    • Hertog, M.G.L.1    Hollman, P.C.H.2    Venema, D.P.3
  • 8
    • 11844271504 scopus 로고    scopus 로고
    • Natural product polyphenols of relevance to human health
    • Kondratyuk, T.P.; Pezzuto, J.M. Natural product polyphenols of relevance to human health. Pharm. Biol. 2004, 42, 46-63.
    • (2004) Pharm. Biol. , vol.42 , pp. 46-63
    • Kondratyuk, T.P.1    Pezzuto, J.M.2
  • 12
    • 7744246652 scopus 로고    scopus 로고
    • Free and bound phenolic compounds in barley (Hordeum vulgare L.) flours: Evaluation of the extraction capability of different solvent mixtures and pressurized liquid methods by micellar electrokinetic chromatography and spectrophotometry
    • Bonoli, M.; Marconi, E.; Caboni, M.F. Free and bound phenolic compounds in barley (Hordeum vulgare L.) flours: Evaluation of the extraction capability of different solvent mixtures and pressurized liquid methods by micellar electrokinetic chromatography and spectrophotometry. J. Chromatogr. A 2004, 1057, 1-12.
    • (2004) J. Chromatogr. A , vol.1057 , pp. 1-12
    • Bonoli, M.1    Marconi, E.2    Caboni, M.F.3
  • 14
    • 0001021066 scopus 로고
    • Phenolic acids in soybean and rapeseed flours
    • Zadernowski, R.; Kozlowska, H. Phenolic acids in soybean and rapeseed flours. Lebensm. Wiss. Technol. 1983, 16, 110-114.
    • (1983) Lebensm. Wiss. Technol. , vol.16 , pp. 110-114
    • Zadernowski, R.1    Kozlowska, H.2
  • 15
    • 0000626867 scopus 로고    scopus 로고
    • Ester-linked phenolic components of carrot cell walls
    • Parr, A.; Ng, A.; Waldron, K. Ester-linked phenolic components of carrot cell walls. J. Agric. Food Chem. 1997, 45, 2468-2471.
    • (1997) J. Agric. Food Chem. , vol.45 , pp. 2468-2471
    • Parr, A.1    Ng, A.2    Waldron, K.3
  • 16
    • 0034284217 scopus 로고    scopus 로고
    • Determination of phenolic acids in fruit juices by isocratic column liquid chromatography
    • Amakura, Y.; Okada, M.; Tsuji, S.; Tonogai, Y. Determination of phenolic acids in fruit juices by isocratic column liquid chromatography. J. Chromatogr. A 2000, 891, 183-188.
    • (2000) J. Chromatogr. A , vol.891 , pp. 183-188
    • Amakura, Y.1    Okada, M.2    Tsuji, S.3    Tonogai, Y.4
  • 18
    • 36049051739 scopus 로고    scopus 로고
    • Structure-retention and mobile phase-retention relationships for reversed-phase high-performance liquid chromatography of several hydroxythioxanthone derivatives in binary acetonitrile-water mixtures
    • Amiri, A.A.; Hemmateenejad, B.; Safavi, A.; Sharghi, H.; Salimi Beni, A.R.; Shamsipur, M. Structure-retention and mobile phase-retention relationships for reversed-phase high-performance liquid chromatography of several hydroxythioxanthone derivatives in binary acetonitrile-water mixtures. Anal. Chim. Acta 2007, 605, 11-19.
    • (2007) Anal. Chim. Acta , vol.605 , pp. 11-19
    • Amiri, A.A.1    Hemmateenejad, B.2    Safavi, A.3    Sharghi, H.4    Salimi Beni, A.R.5    Shamsipur, M.6
  • 19
    • 34548863900 scopus 로고    scopus 로고
    • Investigation of retention behaviour of non-steroidal anti-inflammatory drugs in high-performance liquid chromatography by using quantitative structure-retention relationships
    • Carlucci, G.; D'Archivio, A.A.; Maggi, M.A.; Mazzeo, P.; Ruggieri, F. Investigation of retention behaviour of non-steroidal anti-inflammatory drugs in high-performance liquid chromatography by using quantitative structure-retention relationships. Anal. Chim. Acta 2007, 601, 68-76.
    • (2007) Anal. Chim. Acta , vol.601 , pp. 68-76
    • Carlucci, G.1    D'Archivio, A.A.2    Maggi, M.A.3    Mazzeo, P.4    Ruggieri, F.5
  • 20
    • 33646010368 scopus 로고    scopus 로고
    • Quantitative structure-property relationships for pesticides in biopartitioning micellar chromatography. Quantitative retention-structure and retention-activity relationships of barbiturates by micellar liquid chromatography
    • Ma, W.; Luan, F.; Zhang, H.; Zhang, X.; Liua, M.; Hu, Z.; Fan, B. Quantitative structure-property relationships for pesticides in biopartitioning micellar chromatography. Quantitative retention-structure and retention-activity relationships of barbiturates by micellar liquid chromatography. J. Chromatogr. A 2006, 1113, 140-147.
    • (2006) J. Chromatogr. A , vol.1113 , pp. 140-147
    • Ma, W.1    Luan, F.2    Zhang, H.3    Zhang, X.4    Liua, M.5    Hu, Z.6    Fan, B.7
  • 21
    • 36148929818 scopus 로고    scopus 로고
    • Comparative evaluation of high-performance liquid chromatography stationary phases used for the separation of peptides in terms of quantitative structure-retention relationships
    • Michel, M.; Baczek, T.; Studzińska, S.; Bodzioch, K.; Jonsson, T.; Kaliszan, R.; Buszewski, B. Comparative evaluation of high-performance liquid chromatography stationary phases used for the separation of peptides in terms of quantitative structure-retention relationships. J. Chromatogr. A 2007, 1175, 49-54.
    • (2007) J. Chromatogr. A , vol.1175 , pp. 49-54
    • Michel, M.1    Baczek, T.2    Studzińska, S.3    Bodzioch, K.4    Jonsson, T.5    Kaliszan, R.6    Buszewski, B.7
  • 22
    • 77249130688 scopus 로고    scopus 로고
    • Quantitative structure retention relationship modeling of retention time for some organic pollutants
    • Fatemia, M.H.; Ghorbanzad'ea, M.; Baher, E. Quantitative structure retention relationship modeling of retention time for some organic pollutants. Anal. Lett. 2010, 43, 823-835.
    • (2010) Anal. Lett. , vol.43 , pp. 823-835
    • Fatemia, M.H.1    Ghorbanzad'ea, M.2    Baher, E.3
  • 23
    • 77951447245 scopus 로고    scopus 로고
    • Quantitative Structure-Retention Relationship Study of Some Phenol Derivatives in Gas Chromatography
    • Garkani-Nejad, Z. Quantitative Structure-Retention Relationship Study of Some Phenol Derivatives in Gas Chromatography. J. Chormatogr. Sci. 2010, 48, 317-323.
    • (2010) J. Chormatogr. Sci. , vol.48 , pp. 317-323
    • Garkani-Nejad, Z.1
  • 24
    • 77954168851 scopus 로고    scopus 로고
    • Extraction, separation and quantitative structure-retention relationship modeling of essential oils in three herbs
    • Wei, Y.; Xi, L.; Chen, D.; Wu, X.A.; Liu, H.; Yao, X. Extraction, separation and quantitative structure-retention relationship modeling of essential oils in three herbs. J. Sep. Sci. 2010, 33, 1980-1990.
    • (2010) J. Sep. Sci. , vol.33 , pp. 1980-1990
    • Wei, Y.1    Xi, L.2    Chen, D.3    Wu, X.A.4    Liu, H.5    Yao, X.6
  • 25
    • 34547495638 scopus 로고    scopus 로고
    • QSRR: Quantitative Structure-(Chromatographic) Retention Relationships
    • Kaliszan, R. QSRR: Quantitative Structure-(Chromatographic) Retention Relationships. Chem. Rev. 2007, 107, 3212-3246.
    • (2007) Chem. Rev. , vol.107 , pp. 3212-3246
    • Kaliszan, R.1
  • 26
    • 85073161589 scopus 로고    scopus 로고
    • QSAR in Chromatography: Quantitative Structure-Retention Relationships (QSRRs)
    • In Puzyn, T., Leszczynski, J., Cronin, M.T., Eds.; Springer: Dordrecht, The Netherlands
    • Kaliszan, R.; Ba{ogonek}czek, T. QSAR in Chromatography: Quantitative Structure-Retention Relationships (QSRRs). In Recent Advances in QSAR Studies: Methods and Applications; Puzyn, T., Leszczynski, J., Cronin, M.T., Eds.; Springer: Dordrecht, The Netherlands, 2010; pp. 223-259.
    • (2010) Recent Advances in QSAR Studies: Methods and Applications , pp. 223-259
    • Kaliszan, R.1    Baczek, T.2
  • 28
    • 33748055438 scopus 로고    scopus 로고
    • Prediction of selectivity coefficients of a theophylline-selective electrode using MLR and ANN
    • Riahi, S.; Mousavi, M.F.; Shamsipur, M. Prediction of selectivity coefficients of a theophylline-selective electrode using MLR and ANN. Talanta 2006, 69, 736-740.
    • (2006) Talanta , vol.69 , pp. 736-740
    • Riahi, S.1    Mousavi, M.F.2    Shamsipur, M.3
  • 29
    • 79960179324 scopus 로고    scopus 로고
    • Estimation of the volume of distribution of some pharmacologically important compounds from their structural descriptors
    • Fatemi, M.H.; Ghorbannezhad, Z. Estimation of the volume of distribution of some pharmacologically important compounds from their structural descriptors. J. Serb. Chem. Soc. 2011, 76, 1003-1014.
    • (2011) J. Serb. Chem. Soc. , vol.76 , pp. 1003-1014
    • Fatemi, M.H.1    Ghorbannezhad, Z.2
  • 31
    • 0000224701 scopus 로고    scopus 로고
    • The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
    • Schuur, J.H.; Selzer, P.; Gasteiger, J. The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity. J. Chem. Inf. Comput. Sci. 1996, 36, 334-344.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 334-344
    • Schuur, J.H.1    Selzer, P.2    Gasteiger, J.3
  • 32
    • 0001074001 scopus 로고    scopus 로고
    • Handbook of Molecular Descriptors
    • In Mannhold, R., Kubinyi, H., Timmerman, H., Eds.; John Wiley and Sons: Weinheim, Germany
    • Todeschini, R.; Consonni, V. Handbook of Molecular Descriptors. In Methods and Principles in Medicinal Chemistry; Mannhold, R., Kubinyi, H., Timmerman, H., Eds.; John Wiley and Sons: Weinheim, Germany, 2000; Volume 11.
    • (2000) Methods and Principles in Medicinal Chemistry , vol.11
    • Todeschini, R.1    Consonni, V.2
  • 34
    • 33749255357 scopus 로고    scopus 로고
    • version 3; Talete srl: Milano, Italy
    • DRAGON Software, version 3; Talete srl: Milano, Italy, 2003.
    • (2003) DRAGON Software
  • 35
    • 0034265479 scopus 로고    scopus 로고
    • Unsupervised forward selection: A method for eliminating redundant variables
    • Whitley, D.C.; Ford, M.G.; Livingstone, D.J. Unsupervised forward selection: A method for eliminating redundant variables. J. Chem. Inf. Comput. Sci. 2000, 40, 1160-1168.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 1160-1168
    • Whitley, D.C.1    Ford, M.G.2    Livingstone, D.J.3
  • 37
    • 0035804795 scopus 로고    scopus 로고
    • Linear and non-linear modeling for the investigation of gas chromatography retention indices of alkylbenzenes on cita-4, SE-30 and Carbowax 20M
    • Yan, A.X.; Hu, Z.D. Linear and non-linear modeling for the investigation of gas chromatography retention indices of alkylbenzenes on cita-4, SE-30 and Carbowax 20M. Anal. Chim. Acta 2001, 433, 145-154.
    • (2001) Anal. Chim. Acta , vol.433 , pp. 145-154
    • Yan, A.X.1    Hu, Z.D.2
  • 38
  • 39
    • 0038724207 scopus 로고    scopus 로고
    • The Importance of being earnest: Validation is the absolute essential for successful application and interpretation of QSPR models
    • Tropsha, A.; Gramatica, P.; Gombar, V.K. The Importance of being earnest: Validation is the absolute essential for successful application and interpretation of QSPR models. QSAR Comb. Sci. 2003, 22, 69-77.
    • (2003) QSAR Comb. Sci. , vol.22 , pp. 69-77
    • Tropsha, A.1    Gramatica, P.2    Gombar, V.K.3
  • 40
    • 34250628103 scopus 로고    scopus 로고
    • Principles of QSAR models validation: Internal and external
    • Gramatica, P. Principles of QSAR models validation: Internal and external. QSAR Comb. Sci. 2007, 26, 694-701.
    • (2007) QSAR Comb. Sci. , vol.26 , pp. 694-701
    • Gramatica, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.