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胡椒灵的旋转光谱和构象分析:结构-甜度关系的深入了解。

Rotational Spectrum and Conformational Analysis of Perillartine: Insights into the Structure-Sweetness Relationship.

机构信息

Grupo de Espectrocopía Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico UVa, Universidad de Valladolid, 47011 Valladolid, Spain.

出版信息

Molecules. 2022 Mar 16;27(6):1924. doi: 10.3390/molecules27061924.

DOI:10.3390/molecules27061924
PMID:35335289
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8954681/
Abstract

We used high-resolution rotational spectroscopy coupled to a laser ablation source to study the conformational panorama of perillartine, a solid synthetic sweetener. Four conformers were identified under the isolation conditions of the supersonic expansion, showing that all of them present an configuration of the C=N group with respect to the double bond of the ring. The observed structures were verified against Shallenberger-Acree-Kier's sweetness theory to shed light on the structure-sweetness relationship for this particular oxime, highlighting a deluge of possibilities to bind the receptor.

摘要

我们使用高分辨率旋转光谱学结合激光烧蚀源来研究固体甜味剂紫苏醇的构象全景。在超音速膨胀的隔离条件下,鉴定出了四种构象体,它们都表现出 C=N 基团相对于环的双键的 构象。观察到的结构与 Shallenberger-Acree-Kier 的甜度理论进行了验证,为这种特殊肟类化合物的结构与甜度的关系提供了一些见解,突出了与受体结合的大量可能性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/2e5129ba3f97/molecules-27-01924-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/b6e0c254e175/molecules-27-01924-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/22148f0b4425/molecules-27-01924-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/5401397e9893/molecules-27-01924-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/ee760cdb30c0/molecules-27-01924-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/e09c7ae78467/molecules-27-01924-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/8371d40ea838/molecules-27-01924-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/2e5129ba3f97/molecules-27-01924-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/b6e0c254e175/molecules-27-01924-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/22148f0b4425/molecules-27-01924-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/5401397e9893/molecules-27-01924-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/ee760cdb30c0/molecules-27-01924-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/e09c7ae78467/molecules-27-01924-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/8371d40ea838/molecules-27-01924-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6f6/8954681/2e5129ba3f97/molecules-27-01924-g005.jpg

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