Exploring the Molecularity of Spices: The Gustatory Perspective

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Abstract We explored electronic-structural features of molecules that elicit specific spice-taste-responses. The purpose of this work was to identify reproducible molecular fingerprints that might contribute to this taste. Our work informs us that these fingerprints go beyond gross and superficial molecular features such as aliphatic or aromatic systems, straight chains or rings, and specific functional groups. We explored these molecules down to the granularity of atom-pairs in structurally and chemically disparate molecules that produce the same taste response. These atom-pairs are not necessarily bonded. The atom-pairs have reproducible electronic-structural features even when they are in molecules that are superficially dissimilar. The electronic features were represented by Nuclear Magnetic Resonance (NMR) chemical shifts—that depict the electronic and chemical environments around an atom in the atom-pair. The structural features were represented by inter atomic (bonded or non-bonded) distances. We explored these fingerprints for 34 molecules whose tastes were identified by taste experts from TheGoodScentsCompany web resource. We identified atom-pairs that are likely responsible for specific spice-related tastes: spicy, herbal, woody, citrus, sweet, and minty, or combinations of these tastes which likely contribute to a spice’s unique flavor. For molecules clustered by similar tastes our results are consistent and independent of the overall structural and chemical nature of the molecule.
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Thomas, Hirva S. Bhayani, Chiquito Crasto This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5328323/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 11 You are reading this latest preprint version Abstract We explored electronic-structural features of molecules that elicit specific spice-taste-responses. The purpose of this work was to identify reproducible molecular fingerprints that might contribute to this taste. Our work informs us that these fingerprints go beyond gross and superficial molecular features such as aliphatic or aromatic systems, straight chains or rings, and specific functional groups. We explored these molecules down to the granularity of atom-pairs in structurally and chemically disparate molecules that produce the same taste response. These atom-pairs are not necessarily bonded. The atom-pairs have reproducible electronic-structural features even when they are in molecules that are superficially dissimilar. The electronic features were represented by Nuclear Magnetic Resonance (NMR) chemical shifts—that depict the electronic and chemical environments around an atom in the atom-pair. The structural features were represented by inter atomic (bonded or non-bonded) distances. We explored these fingerprints for 34 molecules whose tastes were identified by taste experts from TheGoodScentsCompany web resource. We identified atom-pairs that are likely responsible for specific spice-related tastes: spicy, herbal, woody, citrus, sweet, and minty, or combinations of these tastes which likely contribute to a spice’s unique flavor. For molecules clustered by similar tastes our results are consistent and independent of the overall structural and chemical nature of the molecule. Spice Taste Spice Odor NMR Quantum Chemistry Molecular Fingerprint Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Under Review Version 1 posted Editorial decision: Revision requested 18 Jan, 2025 Reviews received at journal 12 Jan, 2025 Reviews received at journal 10 Jan, 2025 Reviewers agreed at journal 27 Dec, 2024 Reviewers agreed at journal 23 Dec, 2024 Reviews received at journal 17 Dec, 2024 Reviewers agreed at journal 02 Dec, 2024 Reviewers invited by journal 31 Oct, 2024 Editor assigned by journal 28 Oct, 2024 Submission checks completed at journal 28 Oct, 2024 First submitted to journal 24 Oct, 2024 You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. 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