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首页> 外文期刊>International Journal of Quantum Chemistry >Spectroscopical UV–Vis implications of an intramolecular η 22 –Mg coordination in bacteriochlorophyll– aa from the Fenna–Matthews–Olson complex
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Spectroscopical UV–Vis implications of an intramolecular η 22 –Mg coordination in bacteriochlorophyll– aa from the Fenna–Matthews–Olson complex

机译：从Fenna-Matthews-Olson综合体中，分子内η 2- a中的分子内η 2 -mg配位的光谱UV-Vis的影响

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Abstract > Chlorophylls and their related compounds prominently feature a Mg 2+ ion in the center of a porphyrine, with an intermolecular fifth coordination usually observed to place the ion out of the macrocyclic plane. Herein, we assess the role of a potential intramolecular η 2 –(C?=?C)Mg interaction and compare it to the intermolecular coordination from the Hystidine groupt to Mg 2+ for Bacterichlorophyll– a (Bchl– a ), the main photosynthetic pigment in the Fenna–Matthews–Olson complex present in green and purple bacteria. The influence of this fifth coordination on the UV‐Vis spectroscopy (CAM‐B3LYP/cc‐pVDZ), and the concomitant change in geometry around Mg in Bchl– a from planar to pyramidal is assessed by the quantum theory of atoms in molecules based non–covalent interactions scheme and through energetic analysis via natural bond orbital population methods at the M06‐2X/cc‐pVDZ and compared to the reference multi– hapto compound, magnesocene, Cp <sub>2</sub> Mg. </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”> <标题类型=“main”>摘录</标题> >叶绿素及其相关的化合物在卟啉中心的中心突出地具有Mg 2 + </ sup>离子，通常观察到分子间的第五个协调将离子放置在大环平面中。在此，我们评估潜在分子内η 2 - （c-sup> - （c'=Δc）mg相互作用的作用，并将其与羟辛胺喷射到Mg 2 + </ sup的分子间协调进行比较>对于杀菌氯基 - （BCHL- A），在绿色和紫色细菌中存在的FENNA-MATTHEWS-OLSON复合物中的主要光合色素。第五个协调对UV-VIS光谱（CAM-B3LYP / CC-PVDZ）的影响，以及从平面到金字塔的BCHL- <I> A </ I>中的几何形状的伴随变化是量子的基于分子的非共价相互作用方案中的原子理论及通过在M06-2X / CC-PVDZ中的天然键轨道种群方法进行高能分析，与参考多-C <I> HAPTO </ I>化合物，镁质，CP相比<sub> 2 </ sub> mg。 </ 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17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=Mondragón‐Solórzano Gustavo&option=202" target="_blank" rel="nofollow">Mondragón‐Solórzano Gustavo;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Barroso‐Flores Joaquín&option=202" target="_blank" rel="nofollow">Barroso‐Flores Joaquín;</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>Personal de la UNAM Centro Conjunto de Investigación en Química Sustentable UAEMex–UNAM Carr. Toluca Atlacomulco km 14.5 Unidad San Cayetano Toluca Estado de MéxicoMexico;</p> <p>Personal de la UNAM Centro Conjunto de Investigación en Química Sustentable UAEMex–UNAM Carr. Toluca Atlacomulco km 14.5 Unidad San Cayetano Toluca Estado de MéxicoMexico;</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=bacteriochlorophyll&option=203" rel="nofollow">bacteriochlorophyll;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Fenna–Matthews–Olson&option=203" rel="nofollow">Fenna–Matthews–Olson;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=photosynthesis&option=203" rel="nofollow">photosynthesis;</a> </p> <div class="translation"> 机译：Bacteriochorophyll;Fenna-Matthews-Olson;光合作用; </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/0704019755722.html">Spectroscopical UV–Vis implications of an intramolecular η <sup >22 –Mg coordination in bacteriochlorophyll– <i >aa from the Fenna–Matthews–Olson complex</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Mondragón‐Solórzano Gustavo&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Mondragón‐Solórzano Gustavo,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Barroso‐Flores Joaquín&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Barroso‐Flores Joaquín </a> <a href="/journal-foreign-21753/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Journal of Quantum Chemistry .</a> <span>2018</span><span>,第17期</span> </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：从Fenna-Matthews-Olson综合体中，分子内η 2-</ i> a中的分子内η 2 -mg配位的光谱UV-Vis的影响</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704013875286.html">Constructing an Interpolated Potential Energy Surface of a Large Molecule: A Case Study with Bacteriochlorophyll a Model in the Fenna-Matthews-Olson Complex</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kim Chang Woo&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Kim Chang Woo,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Rhee Young Min&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Rhee Young Min </a> <a href="/journal-foreign-33909/" target="_blank" rel="nofollow" class="tuijian_authcolor">Journal of chemical theory and computation: JCTC .</a> <span>2016</span><span>,第11期</span> </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：构造大分子的内插势能面：以细菌叶绿素为例的Fenna-Matthews-Olson复合物模型</span> </p> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704020397858.html">Excitonic Energy Landscape of the Y16F Mutant of the Chlorobium tepidum Fenna-Matthews-Olson (FMO) Complex: High Resolution Spectroscopic and Modeling Studies</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Khmelnitskiy Anton&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Khmelnitskiy Anton,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Saer Rafael G.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Saer Rafael G.,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Blankenship Robert E.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Blankenship Robert E.,</a> <a href="/journal-foreign-30976/" target="_blank" rel="nofollow" class="tuijian_authcolor">The journal of physical chemistry, B. 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href="/academic-degree-domestic_mphd_thesis/020314617470.html">PhIO/BF3·Et2O体系在分子内氟胺化反应以及分子内缩环氟化反应中的应用</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=贾群&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 贾群</a> <span> . 2015</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120111644152.html">RPS3A分子在预测肿瘤内免疫细胞浸润、免疫检查点分子表达水平及预测模型中的应用</a> <b>[P]</b> . <span> 中国专利： CN111983231A </span> <span> . 2020-11-24</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/061201286457.html">含分子内二硫键的寡肽分子及在辅助蛋白质氧化复性中的应用</a> <b>[P]</b> . <span> 中国专利： CN102174077B </span> <span> . 2013.11.20</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130422892735.html">(54) Title: UV ABSORBING COMPLEX POLYESTER POLYMERS, COMPOSITIONS CONTAINING UV ABSORBING COMPLEX POLYESTER POLYMERS, AND RELATED METHODS (57) Abstract: A UV absorbing complex polyol polyester polymer is the product of a reaction scheme that includes: (i) the esterification of a polyol and a dianhydride, wherein the esterification is carried out under conditions that facilitate substantially only anhydride opening, to form a polyester polymer comprising at least two pendant carboxylic groups, and at least two hy-droxyl groups: and (ii) the reaction of at least one pendant carboxylic group and at least one terminal hydroxyl group of the polyester polymer with an epoxide having a functional group, wherein the epoxide comprises an UV absorbing moiety. A crosslinked UV absorbing complex polyol polyester polymer that is reaction product of a random copolyesterification esterification reaction and/or the esterification product.</a> <b>[P]</b> . <span> 外国专利： <!-- --> IN2012MN01234A </span> <span> . 2012-08-24</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：（54）标题：吸收紫外线的复合聚酯聚合物，包含紫外线吸收的复合聚酯聚合物的组成及相关方法（57）摘要：吸收紫外线的复合多元醇聚酯聚合物是反应方案的产物，该反应方案包括：（i）酯化多元醇和二酐，其中所述酯化反应在基本上仅促进酸酐开放的条件下进行，以形成包含至少两个侧基羧基和至少两个羟基的聚酯聚合物：和（ii）具有具有官能团的环氧化物的聚酯聚合物的至少一个侧链羧基和至少一个末端羟基，其中该环氧化物包含UV吸收部分。交联的吸收紫外线的复合多元醇聚酯聚合物，它是无规共聚酯化酯化反应和/或酯化产物的反应产物。 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130424348957.html">AGENT FOR DISEASES CAUSED BY MYCOBACTERIA OF Ungernia victoris UV-22 CALLUS CULTURE STRAIN - PRODUCER OF BIOLOGICALLY ACTIVE COMPLEX FOR TREATING DISEASES CAUSED BY MYCOBACTERIA AND CULTIVATION TECHNIQUE (VERSIONS)</a> <b>[P]</b> . <span> 外国专利： <!-- 俄罗斯专利： --> RU2425687C2 </span> <span> . 2011-08-10</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：紫薇菌引起的疾病的代理商UV-22愈伤组织培养菌株-生物活性复合物生产菌和栽培技术（版本）引起的疾病。 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130426882117.html">Means for treatment of diseases caused by mycobacteria strains callus culture UNGERNIA VICTORIS UV-22 - producers of biologically active complex for the treatment of diseases caused by mycobacteria, and the method of its cultivation (OPTIONS)</a> <b>[P]</b> . <span> 外国专利： <!-- 俄罗斯专利： --> RU2009103797A </span> <span> . 2010-08-10</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：治疗由分枝杆菌引起的疾病的方法愈伤组织培养UNGERNIA VICTORIS UV-22-用于治疗由分枝杆菌引起的疾病的生物活性复合物的生产商及其培养方法（OPTIONS） </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div class="right rightcon"> <div class="details_img cardcommon clearfix" style="margin-bottom: 10px;display:none;" > </div> </div> </div> <div id="thesis_get_original1" class="downloadBth" style="bottom: 19px;z-index: 999;" onclick="ywcd('0704019755722','4',7,2,1,'',this,24)" class="delivery" prompt="010401" title="通过人工服务将文献原文发送至邮箱" >获取原文</div> <div class="journalsub-pop-up" style="display: none"> <div class="journal-sub"> <h2>期刊订阅</h2> <img src="https://cdn.zhangqiaokeyan.com/img/loginclose.png" alt="" onclick="$('.journalsub-pop-up').hide()"> <p class="pardon">抱歉，该期刊暂不可订阅，敬请期待！</p> <p class="current">目前支持订阅全部北京大学中文核心（2020）期刊目录。</p> <div style="display: flex;margin-top: 69px;justify-content: space-between;"> <div class="no-sub" 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