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首页> 外文会议>International Flavor Conference >GENERATION OF POTENTIALLY NEW FLAVORING STRUCTURES FROM THIAMINE BY A NEW COMBINATORIAL CHEMISTRY PROGRAM
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GENERATION OF POTENTIALLY NEW FLAVORING STRUCTURES FROM THIAMINE BY A NEW COMBINATORIAL CHEMISTRY PROGRAM

机译：通过新的组合化学计划从硫胺素产生潜在的新调味结构

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This study is devoted to the theoretical investigation of the thermal degradation of thiamine. Degradation of this important vitamin leads to its loss during cooking, processing, and storage of foods. The first part of this contribution describes the program which consists of three modules: (i) the drawing of starting materials, (ii) the representation of reactions, and (iii) the combinatorial chemistry program which generates the products which could be theoretically formed. The final file contains 3166 structures, 1113 of which are linear and 2053 cyclic, respectively. In the second part of the study, some of these structures are reported. They have been divided in five- and six-membered rings, each including alicyclic and heterocyclic compounds. Among alicyclic compounds, cyclopentanone and cyclohexanone derivatives were found. The heterocycles include furans, thiophenes, 1,2-dithioanes, thiazoles, pyrans, 1,3-dioxanes, 1,2-dithianes, pyrimidines, and their derivatives. Selected references on the synthesis of the basic skeletons are also presented.
机译：这项研究是专门硫胺素热降解的理论研究。烹饪，加工和储存的食物在这个重要的维生素导致其损失的降解。这种贡献的第一部分描述了包括三个模块的程序：（ⅰ）起始材料的图中，（ⅱ）反应的表示，和（iii），其产生可理论上形成的产物的组合化学程序。最终的文件包含3166层的结构，其中1113的分别是线性和环状2053，。在研究的第二部分，其中一些结构的报告。他们在五元和六元环被分割，每一个都包括脂环族和杂环化合物。其中脂环族化合物中，发现环戊和环己酮衍生物。该杂环包括呋喃，噻吩，1,2- dithioanes，噻唑，吡喃，1,3-二恶烷，1,2-二噻烷，嘧啶，以及它们的衍生物。在基本骨架的合成参考选择还介绍。

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