نوع مقاله: مقاله علمی پژوهشی
نویسندگان
1 گروه شیمی، دانشکده شیمی، دانشگاه سمنان، سمنان، ایران
2 دانشکده شیمی، دانشگاه آدام میکیویچ، پوزنان، لهستان
چکیده
کلیدواژهها
موضوعات
عنوان مقاله [English]
نویسندگان [English]
In the present work a new Schiff base ligand was prepared by condensation of 4-hydroxy-3-methoxybenzaldehyde with DL-1-phenylethylamine (HL1). The product was characterized using FT-IR, 1H-NMR, and UV-Vis spectroscopy. The structure of HL1 Schiff base ligand was determined by X-ray crystallography. According to this analysis, HL1 ligand is crystallized in the orthorhombic crystal structure with space group Pbca. Also, the structure and electronic properties of HL2 Schiff base ligand which was synthesized before and HL1 ligand were analyzed by using DFT calculations. The docking analysis of ligands was reported that bind to the minor and major grooves of B-DNA sequence, respectively.
کلیدواژهها [English]
[1] Zh. Yang, L. Wang, Zh. Zhou, Q. Zhou, Ch. Tang, Tetrahedron: Asymmetry, 12 (2001) 1579.
[2] K.C. Emregul, E. Duzgun, O. Atakol, Corrosion Science, 48 (2006) 3243.
[3] A. Prakash, D. Adhikari, Int. J. ChemTech Res. 3 (2011) 1891.
[4] K. Bhat, K.J. Chang, M.D. Aggarwal, W.S. Wang, B.G. Penn, D.O. Frazier, Materials Chemistry and Physics, 44 ( 1996) 261.
[5] M.P. Akerman, V.A. Chiazzari, J. Mol. Struct. 1058 (2014) 22.
[6] R.M. Issa, M. K. Awad, F.M. Atlam, Materials and Corrosion, 61 (2010) 709-714.
[7] Z. Parsaee, J. Mol. Struct. 1146 (2017) 644.
[8] S. Grimme, Journal of Computational Chemistry, 25 (2004) 1463.
[9] Q.T. That, K. Nguyen, P. Hansen, Magnetic Resonance in Chemistry, 43 (2005) 302.
[10] S. Sinnecker, L.D. Slep, E. Bill, F. Neese, Inorg. Chem. 44 (2005) 2245.
[11] S.D. George, T. Petrenko, F. Neese, Inorg. Chim. Acta, 361 (2008) 965.
[12] K. Ray, S.D.George, E.I. Solomon, K. Wieghardt, F. Neese, Chem. Eur. J. 13( 2007) 2783.
[13] S. Basak, D. Chopra, K.K. Rajak, Journal of Organometallic Chemistry, 693 (2008) 2649.
[14] M. Seth, T. Ziegler, J. Chem. Phys. 120 (2004) 10942.
[15] P. AdAo, J. Pessoa, R.T. Henriques, M.L. Kuznetsov, F. Avecilla, M.R. Maurya, U. Kumar, I. Correia, Inorg. Chem. 48 (2009) 3542.
[16] Z. Parsaee, Kh. Mohammadi, J. Mol. Struct. 1137 (2017) 512.
[17] C.M. da Silva, D.L. da Silva, L.V. Modolo, R.B. Alves, M.A. de Resende, C.V.B. Martins, A. de Fatima, Journal of Advanced Research, 2 (2011) 1.
[18] L. Shi, H. Ge, Sh. Tan, H. Li, Y. Song, H. Zhu, R. Tan, European Journal of Medicinal Chemistry, 42 (2007) 558.
[19] B.S. Creaven, B. Duff, D.A. Egan, K. Kavanagh, G. Rosair, V.R. Thangella, M. Walsh, Inorg. Chim. Acta, 363 (2010) 4048.
[20] G. Ceyhan, M. Kose, M. Tumer, I. Demirtas, A. Yaglioglu, V. McKee, Journal of Luminescence, 143 (2013) 623.
[21] K. Das, A. Datta, P. Liu, J. Huang, Ch. Hsu, W. Chang, B. Machura, Ch. Sinha, Polyhedron, 71 (2014) 85.
[22] A.A. El-Sherif, T.M.A. Eldebss, Spectrochim. Acta, Part A, 79 (2011) 1803.
[23] Sh.M. Sondhi, N. Singh, A. Kumar, O. Lozachc, L. Meijer, Bioorganic & Medicinal Chemistry, 14 (2006) 3758.
[24] Z. Abbasi, M. Salehi, M. Kubicki, A. Khaleghian, J. Coord. Chem. 70 (2017) 2074.
[25] R. Fekri, M. Salehi, A. Asadi, M. Kubicki, Polyhedron, 128 (2017) 175.
[28] CrysAlisPro 1.171.38.34a (Rigaku OD, 2015).
[29] A. Altomare, G. Cascarano, C. Giacovazzo and A. Gualardi, J. Appl. Crystallogr. 26 (1993), 343.
[30] G. M. Sheldrick, Acta Crystallogr., 2014, C71, 3.