Analytical Medicinal Chemistry, Structural Elucidation of Pharmaceutical Compounds

1. Vassilis Demopoulos: Introduction and theory of nuclear magnetic resonance (NMR) spectrometry. Modes of the NMR instruments. 1D 1H-NMR: absorption of the proton nucleus, its chemical shift shielding and deshielding, diamagnetic anisotropy and the corresponding positive and negative zones, spin-spin coupling (first-order and more complex patterns), protons on heteroatoms, chemical shift equivalent and magnetic equivalent protons, index of unsaturation of compounds. 13C-NMR: absorption of tetrahedral, trigonal and carbonyl carbons. Use of the MestReNova software to depict the NMR spectrum of compounds from FID inputs, and assignment of the absorptions to the structure of the analyzed compound. 2. Dionysia Papagiannopoulou: Two-dimensional NMR spectrometry: 1) Homonuclear correlation spectroscopy 1Η-1Η (COSY), 2) Heteronuclear single-quantum coherence experiment (HSQC) (e.g. 1Η-13C) and 3) Heteronuclear multiple-bond coherence experiment (HMBC) (e.g. 1Η-13C) 3. Konstantinos Litinas: MS spectrometry: Fundamentals. Methods of cleavage of organic compounds. Ion analysis techniques. Modern ionization techniques. Molecular mass determination. Tandem MS. Applications of MS spectrometry in chemical analysis, environment, biology, geology, etc.
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