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Theoretical and experimental evidence of conformational transformation in stereoisomers of nucleoside analogues

机译：核苷类似物立体异构体构象转化的理论与实验证据

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Abstract >A theoretical and experimental characterization of N(1)‐(2′,3′‐dihydroxypropil)thymine (DHPT), a potential prebiotic nucleoside analogue of 5‐methyluridine, is performed. A proposed methodology based on a solvation method was used to study conformational transformations of the different low‐energy conformers of DHPT according to time‐dependent IR spectroscopy. NMR and CD spectroscopy provides additional evidence of these transformations. The conformational transformations appear to be due to solvent and DHPT interactions. This highlights the importance of experimental conditions on conformer ratio equilibrium, in particular, the interpretation of experimental conditions used for determining the stereoisomers' absolute configuration. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“main”XML：Lang =“en”> <标题类型=“main”>抽象</ title> > n（1） - （2'，3'-二羟基脯醇的理论和实验表征）胸腺嘧啶（DHPT），进行5-甲基嘌呤的潜在益生菌核苷类似物。基于溶剂化方法的提出方法用于根据时间依赖性IR光谱研究DHPT不同低能量簇的构象变化。 NMR和CD光谱提供这些转变的额外证据。构象变换似乎是由于溶剂和DHPT相互作用。这突出了实验条件对适系比平衡的重要性，特别是用于确定立体异构体的绝对配置的实验条件的解释。</ p> </ abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第20期</span><b style="margin: 0 2px;">|</b><span>共9页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Hernández‐Hernández Luis Alberto&option=202" target="_blank" rel="nofollow">Hernández‐Hernández Luis Alberto;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Yi Ruiqin&option=202" target="_blank" rel="nofollow">Yi Ruiqin;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Cleaves Henderson James&option=202" target="_blank" rel="nofollow">Cleaves Henderson James;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Fuentes‐Cabrera Miguel&option=202" target="_blank" rel="nofollow">Fuentes‐Cabrera Miguel;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Sumpter Bobby G.&option=202" target="_blank" rel="nofollow">Sumpter Bobby G.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Hernández‐Hernández Arturo&option=202" target="_blank" rel="nofollow">Hernández‐Hernández Arturo;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Rangel Eduardo&option=202" target="_blank" rel="nofollow">Rangel Eduardo;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Vallejo Emmanuel&option=202" target="_blank" rel="nofollow">Vallejo Emmanuel;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Escuela Superior de ApanUniversidad Autónoma del Estado de HidalgoMexico;</p> <p>Earth‐Life Science Institute (ELSI)Tokyo Institute of TechnologyTokyo Japan;</p> <p>Earth‐Life Science Institute (ELSI)Tokyo Institute of TechnologyTokyo Japan;</p> <p>Center for Nanophase Materials SciencesOak Ridge National LaboratoryTennessee;</p> <p>Center for Nanophase Materials SciencesOak Ridge National LaboratoryTennessee;</p> <p>Escuela Superior de ApanUniversidad Autónoma del Estado de HidalgoMexico;</p> <p>Escuela Superior de ApanUniversidad Autónoma del Estado de HidalgoMexico;</p> <p>Escuela Superior de ApanUniversidad Autónoma del Estado de HidalgoMexico;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=conformational transformations&option=203" rel="nofollow">conformational transformations;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=nucleoside analogues&option=203" rel="nofollow">nucleoside analogues;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=stereoisomers&option=203" rel="nofollow">stereoisomers;</a> </p> <div class="translation"> 机译：构象转化;核苷类似物;立体异构体; 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