Editorial
, Volume: 14( 2)Structural Elucidation: Principles, Techniques, and Applications in Chemistry and Pharmaceuticals
Structural elucidation is a critical process in chemistry and pharmaceutical research, focused on determining the molecular structure of chemical compounds. Accurate identification of molecular architecture is essential for understanding biological activity, designing drugs, and developing new chemical entities. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), infrared (IR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, and X-ray crystallography are commonly employed to achieve comprehensive structural analysis. This article provides an overview of structural elucidation, highlighting key techniques, methodological approaches, and their applications in pharmaceutical and chemical research. Advancements in instrumentation and data interpretation have enhanced the precision and efficiency of structural determination, facilitating the development of novel therapeutics and chemical compounds. Keywords: Mass spectrometry, ionization, mass-to-charge ratio, LC-MS, GC-MS, analytical chemistry, proteomics
Structural elucidation is a fundamental aspect of chemistry, pharmacology, and natural product research that involves determining the detailed molecular structure of chemical compounds. The precise knowledge of molecular architecture, including connectivity, stereochemistry, functional groups, and three dimensional arrangement, is essential for understanding biological activity, chemical reactivity, and therapeutic potential. Various spectroscopic and analytical techniques are employed in structural elucidation to obtain complementary information about the compound. Nuclear magnetic resonance (NMR) spectroscopy is widely used for elucidating molecular frameworks, identifying hydrogen and carbon environments, and assessing stereochemistry. Mass spectrometry (MS) provides molecular mass, fragmentation patterns, and information on elemental composition. Infrared (IR) spectroscopy identifies functional groups by analyzing vibrational frequencies, while ultraviolet-visible (UV-Vis) spectroscopy offers insights into conjugated systems and electronic transitions. X-ray crystallography provides high resolution, three-dimensional structural information for crystalline compounds, enabling unambiguous Citation: Isabelle Laurant. Structural Elucidation: Principles, Techniques, and Applications in Chemistry and Pharmaceuticals. Acta Chim Pharm Indica. 15(2):2.3. © 2025 Trade Science Inc. 1 www.tsijournals.com | December-2025 determination of molecular geometry. Structural elucidation is crucial in pharmaceutical research, where accurate molecular characterization guides drug design, optimization, and quality control. In natural product chemistry, it facilitates the identification of bioactive compounds from plants, microbes, and marine organisms. Modern approaches integrate multiple techniques to provide a comprehensive understanding of molecular structure, supported by computational methods and software for spectral interpretation. The accurate determination of molecular structures not only aids in understanding chemical and biological properties but also drives innovation in drug discovery, material science, and chemical synthesis. Conclusion Structural elucidation is an essential process for accurately determining the molecular structure of chemical compounds, supporting drug discovery, chemical synthesis, and natural product research. By employing techniques such as NMR, mass spectrometry, IR, UV-Vis, and X-ray crystallography, scientists can obtain detailed and precise structural information. The integration of advanced instrumentation and computational tools has improved the efficiency and accuracy of structural determination, enabling the development of novel therapeutics and chemical entities. Structural elucidation remains a cornerstone of modern chemistry and pharmaceutical research, providing critical insights into molecular architecture and biological function.
