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Special Issue "Application of Nuclear Magnetic Resonance (NMR) Spectroscopy in Bioorganic Chemistry"

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Biochemistry".

Deadline for manuscript submissions: 31 December 2023 | Viewed by 583

Special Issue Editor

Department of Biotechnology and Biosciences, University of Milano-Bicocca, Piazza della Scienza 2, 20126 Milano, Italy
Interests: ligand–receptor interaction studies; metabolomics; natural products; amyloid protein inhibition; anti-virulence compounds, anti-tumour compounds
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Special Issue Information

Dear Colleagues,

Nuclear magnetic resonance (NMR) spectroscopy is one of the techniques of choice employed by bioorganic chemists. Indeed, it finds application in the study of the structure and conformation of bioorganic molecules and their molecular interactions. Notably, it can be used for the characterization of both large and small biomolecules, as well as for the structural resolution of large supramolecular complexes. Furthermore, its intrinsically quantitative nature can be exploited to determine the purity of the organic molecules present in a sample, as well as for the identification and quantification of metabolites present in complex mixtures, such as biofluids, cells, tissues and natural extracts. Finally, NMR spectroscopy makes it possible to elucidate the mechanisms of organic reactions, also monitoring them in real time, including those involving enzymatic catalysis.

Original research articles and review papers elucidating how NMR spectroscopy can provide new insights and/or original methodological approaches to the study of bioorganic chemistry are very welcome from outstanding experts of the topic. 

Prof. Dr. Cristina Airoldi
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • molecular recognition
  • ligand–receptor interaction studies
  • structural and conformational studies of bioorganic molecules and bioconjugates
  • natural and synthetic bioactive compounds
  • reaction monitoring and reaction mechanism elucidation
  • NMR-based metabolomics
  • qNMR (quantitative NMR) of bioorganic compounds

Published Papers (1 paper)

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Antarctic Soil Metabolomics: A Pilot Study
Int. J. Mol. Sci. 2023, 24(15), 12340; https://doi.org/10.3390/ijms241512340 - 02 Aug 2023
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In Antarctica, ice-free areas can be found along the coast, on mountain peaks, and in the McMurdo Dry Valleys, where microorganisms well-adapted to harsh conditions can survive and reproduce. Metabolic analyses can shed light on the survival mechanisms of Antarctic soil communities from [...] Read more.
In Antarctica, ice-free areas can be found along the coast, on mountain peaks, and in the McMurdo Dry Valleys, where microorganisms well-adapted to harsh conditions can survive and reproduce. Metabolic analyses can shed light on the survival mechanisms of Antarctic soil communities from both coastal sites, under different plant coverage stages, and inner sites where slow-growing or dormant microorganisms, low water availability, salt accumulation, and a limited number of primary producers make metabolomic profiling difficult. Here, we report, for the first time, an efficient protocol for the extraction and the metabolic profiling of Antarctic soils based on the combination of NMR spectroscopy and mass spectrometry (MS). This approach was set up on samples harvested along different localities of Victoria Land, in continental Antarctica, devoid of or covered by differently developed biological crusts. NMR allowed for the identification of thirty metabolites (mainly sugars, amino acids, and organic acids) and the quantification of just over twenty of them. UPLC-MS analysis identified more than twenty other metabolites, in particular flavonoids, medium- and long-chain fatty acids, benzoic acid derivatives, anthracenes, and quinones. Our results highlighted the complementarity of the two analytical techniques. Moreover, we demonstrated that their combined use represents the “gold standard” for the qualitative and quantitative analysis of little-explored samples, such as those collected from Antarctic soils. Full article
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