Hydrogen‐Bond Free Energy of Local Biological Water

Park Won‐Woo; Lee Kyung Min; Lee Byeong Sung; Kim Young Jae; Joo Se Hun; Kwak Sang Kyu; Yoo Tae Hyeon; Kwon Oh‐Hoon

摘要

Abstract > Here, we propose an experimental methodology based on femtosecond‐resolved fluorescence spectroscopy to measure the hydrogen (H)‐bond free energy of water at protein surfaces under isothermal conditions. A demonstration was conducted by installing a non‐canonical isostere of tryptophan (7‐azatryptophan) at the surface of a coiled‐coil protein to exploit the photoinduced proton transfer of its chromophoric moiety, 7‐azaindole. The H‐bond free energy of this biological water was evaluated by comparing the rates of proton transfer, sensitive to the hydration environment, at the protein surface and in bulk water, and it was found to be higher than that of bulk water by 0.4?kcal?mol ?1 . The free‐energy difference is dominated by the entropic cost in the H‐bond network among water molecules at the hydrophilic and charged protein surface. Our study opens a door to accessing the energetics and dynamics of local biological water to give insight into its roles in protein structure and function. </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> > 在这里，我们提出了一种基于飞秒分辨荧光光谱的实验方法，以测量等温条件下蛋白质表面的水的氢气（H）-bond自由能。通过在卷绕式卷蛋白表面安装色氨酸（7-叠氮藻粉）的非规范性等级来进行示范，以利用其发色部分，7-唑孔的光突出的质子转移。通过将质子转移的速率与水化环境和大量水敏感的质子转移的速率进行比较来评价该生物水的H键自由能，发现它高于大量水0.4的批量水的速度。 kcal？mol. ？1 </ sup> 。自由能量差异由亲水和带电蛋白表面的水分子中的H键网络中的熵成本为主。我们的研究开辟了一扇门，可以进入局部生物水的能量和动态，以了解其在蛋白质结构和功能中的作用。 </ p> </摘要> </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-19011/'>《Angewandte Chemie》</a> <b style="margin: 0 2px;">|</b><span>2020年第18期</span><b style="margin: 0 2px;">|</b><span>共8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=Park Won‐Woo&option=202" target="_blank" rel="nofollow">Park Won‐Woo;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lee Kyung Min&option=202" target="_blank" rel="nofollow">Lee Kyung Min;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lee Byeong Sung&option=202" target="_blank" rel="nofollow">Lee Byeong Sung;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kim Young Jae&option=202" target="_blank" rel="nofollow">Kim Young Jae;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Joo Se Hun&option=202" target="_blank" rel="nofollow">Joo Se Hun;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kwak Sang Kyu&option=202" target="_blank" rel="nofollow">Kwak Sang Kyu;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Yoo Tae Hyeon&option=202" target="_blank" rel="nofollow">Yoo Tae Hyeon;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kwon Oh‐Hoon&option=202" target="_blank" rel="nofollow">Kwon Oh‐Hoon;</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>Department of ChemistryUlsan National Institute of Science and TechnologyUlsan 44919 Republic of Korea;</p> <p>Department of Energy EngineeringUlsan National Institute of Science and TechnologyUlsan 44919 Republic of Korea;</p> <p>Department of Molecular Science and TechnologyAjou UniversitySuwon 16499 Republic of Korea;</p> <p>Department of ChemistryUlsan National Institute of Science and TechnologyUlsan 44919 Republic of Korea;</p> <p>Department of Energy EngineeringUlsan National Institute of Science and TechnologyUlsan 44919 Republic of Korea;</p> <p>Department of Energy EngineeringUlsan National Institute of Science and TechnologyUlsan 44919 Republic of Korea;</p> <p>Department of Molecular Science and TechnologyAjou UniversitySuwon 16499 Republic of Korea;</p> <p>Department of ChemistryUlsan National Institute of Science and TechnologyUlsan 44919 Republic of Korea;</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/1188.html" title="应用化学">应用化学;</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=biological water&option=203" rel="nofollow">biological water;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=femtochemistry&option=203" rel="nofollow">femtochemistry;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=hydrogen-bond free energy&option=203" rel="nofollow">hydrogen-bond free energy;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=protein engineering&option=203" rel="nofollow">protein engineering;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=proton transfer&option=203" rel="nofollow">proton transfer;</a> </p> <div class="translation"> 机译：生物水;富植物化学;氢键自由能;蛋白质工程;质子转移; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704028161610.html">Back Cover: Hydrogen‐Bond Free Energy of Local Biological Water (Angew. 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class="tuijian_authcolor"> . 第十四次全国色谱学术报告会 </a> <span> <span> . 2003</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/020315174244.html">Jarzynski Equality计算自由能在生物大分子体系中的应用</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张志森&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张志森</a> <span> . 2014</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/061203074819.html">一种氢键交联型水包水多彩涂料及其制备方法</a> <b>[P]</b> . <span> 中国专利： CN106497283B </span> <span> . 2018.11.06</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120108973718.html">一种氢键交联型水包水多彩涂料及其制备方法</a> <b>[P]</b> . <span> 中国专利： CN106497283A </span> <span> . 2017-03-15</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130406967048.html">HIGH ENERGY METHOD AND APPARATUS FOR CARBON FREE DISSOCIATION OF WATER FOR PRODUCTION OF HYDROGEN AND HYDROGEN RELATED POWER</a> <b>[P]</b> . <span> 外国专利：  US2018282157A1 </span> <span> . 2018-10-04</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：水的无碳离解的高能方法和装置，用于生产氢气和氢气 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130419163103.html">Producing carbon dioxide-free liquid hydrocarbon-containing energy carrier preferably methanol, comprises converting carbon monoxide-containing gaseous energy carrier to carbon dioxide and hydrogen-containing gas in water-gas shift reaction</a> <b>[P]</b> . <span> 外国专利：  DE102011112093A1 </span> <span> . 2012-12-06</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：制备不含二氧化碳的含液态烃的能量载体，优选甲醇，包括在水煤气变换反应中将含一氧化碳的气态能量载体转化为二氧化碳和含氢气体 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130443013512.html">SYSTEM WHEREIN YEAST IS COLLECTED FROM ACTIVATED SEAWATER AT THE DEPTH OF LESS THAN 200 M BY USING SPECIAL NET AND SENT TO CULTIVATOR TO CULTIVATE AND THEN ALCOHOL IS EXTRACTED,COLLECTED AND DIVIDED ACCORDING TO APPLICATION INTO THAT USED AS POLLUTION-FREE ENERGY SOURCE,AND THAT SEND TO ELECTROLYTIC CELL TO PRODUCE HYDROGEN AND USED AS FUEL CELL ENERGY SOURCE</a> <b>[P]</b> . <span> 外国专利：  JP2004003029A </span> <span> . 2004-01-08</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：通过使用专用网从深度小于200 M的活化海水中收集酵母的系统，然后将其发送给耕种机进行耕种，然后根据用途将酒精进行提取，收集和划分，这被认为是无污染的能源发送到电解池以产生氢并用作燃料电池的能源 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: 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