Preparation, Spectrochemical, and Computational Analysis of L-Carnosine (2-[(3-Aminopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic Acid) and Its Ruthenium (II) Coordination Complexes in Aqueous Solution 英文参考文献.docVIP

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Preparation, Spectrochemical, and Computational Analysis of L-Carnosine (2-[(3-Aminopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic Acid) and Its Ruthenium (II) Coordination Complexes in Aqueous Solution 英文参考文献.doc

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Preparation, Spectrochemical, and Computational Analysis of L-Carnosine (2-[(3-Aminopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic Acid) and Its Ruthenium (II) Coordination Complexes in Aqueous Solution 英文参考文献

Molecules 2011, 16, 10269-10291; doi:10.3390/molecules161210269 OPEN ACCESS molecules ISSN 1420-3049 /journal/molecules Article Preparation, Spectrochemical, and Computational Analysis of L-Carnosine (2-[(3-Aminopropanoyl)amino]-3-(1H-imidazol-5- yl)propanoic Acid) and Its Ruthenium (II) Coordination Complexes in Aqueous Solution Michael Lee Branham 1,*, Parvesh Singh 2, Krishna Bisetty 2, Myalo Sabela 2 and Thirumala Govender 1 1 School of Pharmacy and Pharmacology, University of KwaZulu-Natal, Durban, 4001, South Africa; E-Mail: govenderth@ukzn.ac.za (T.G.) 2 Department of Chemistry, Durban University of Technology, Durban, 4001, South Africa; E-Mails: parveshdurban@ (P.S.); bisettyk@dut.ac.za (K.B.); myalosabela@dut.ac.za (M.S.) * Author to whom correspondence should be addressed; E-Mail: branham@ukzn.ac.za; Tel.: +27-031-260-7358; Fax: +27-031-260-7792. Received: 14 October 2011; in revised form: 5 November 2011 / Accepted: 10 November 2011 / Published: 9 December 2011 Abstract: This study reports the synthesis and characterization of novel ruthenium (II) complexes with the polydentate dipeptide, L-carnosine (2-[(3-aminopropanoyl)amino]-3- (1H-imidazol-5-yl)propanoic acid). Mixed-ligand complexes with the general composition [MLp(Cl)q(H2O)r]·xH2O (M = Ru(II); L = L-carnosine; p = 3 ? q; r = 0–1; and x = 1–3) were prepared by refluxing aqueous solutions of the ligand with equimolar amounts of ruthenium chloride (black-alpha form) at 60 °C for 36 h. Physical properties of the complexes were characterized by elemental analysis, DSC/TGA, and cyclic voltammetry. The molecular structures of the complexes were elucidated using UV-Vis, ATR-IR, and heteronuclear NMR spectroscopy, then confirmed by density function theory (DFT) calculations at the B3LYP/LANL2DZ level. Two-dimensional NMR experiments (1H COSY, 13C gHMBC, and 15N gHMBC) were also conducted for the assignment o