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no-repeat 6px;background-position:center;margin-top:10px;min-width:55px;display:none;} @media (min-width:768px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .expand_btn{display:none;}} .iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .caption-text{-webkit-flex:9;-ms-flex:9;flex:9;text-align:left;padding:21px 37px 10px 0px;font-size:16px;font-weight:700;} @media (min-width:768px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .caption-text{padding:19px 18px 10px 18px;}} @media (min-width:992px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .caption-text{padding:19px 21px 10px 21px;}} .iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption 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no-repeat 6px;background-position:center;padding:16px 0 16px 0;min-width:62px;max-width:62px;} @media (min-width:768px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .caption-partial-url{padding:16px 0 17px 0;min-width:52px;max-width:52px;}} @media (min-width:992px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .caption-partial-url{padding:15px 0 17px 0;min-width:60px;max-width:60px;}} .iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption .caption-partial-url:hover{-webkit-text-decoration:none;text-decoration:none;} .iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption-text{font-size:14px;padding:0px 18px 17px 22px;} @media (min-width:768px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption-text{padding:0px 15px 15px 18px;}} @media (min-width:992px){.iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption-text{padding:0px 18px 19px 21px;}} .iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption-text figcaption{margin:0;padding:0;} .iASKvs .floats-partial-section .floats-partial-footer .floats-partial-caption-text svg{max-width:100%;} .iASKvs ol{font-size:16px;padding-left:32px;font-family:STIXGeneral-Regular;line-height:24px;margin:15px 0;} .iASKvs ol li{margin:10px 0;padding-left:10px;word-break:normal;} .iASKvs ol li a{word-break:break-all;} .iASKvs ol li .reflinks{display:block;} .iASKvs ol li .reflinks a{color:#4D8A17;-webkit-text-decoration:none;text-decoration:none;cursor:pointer;} .iASKvs ol li .reflinks a:hover{-webkit-text-decoration:underline;text-decoration:underline;} .iASKvs ol li .reflinks .sep{color:#000000;} .iASKvs .table-wrapper{width:auto;overflow-x:auto;} .iASKvs .table-wrapper::-webkit-scrollbar{-webkit-appearance:none;width:5px;height:5px;} .iASKvs .table-wrapper::-webkit-scrollbar-thumb{border-radius:5px;background-color:rgba(0,0,0,.5);-webkit-box-shadow:0 0 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P. Matshwele, Sebusi Odisitse, Daphne Mapolelo, Melvin Leteane, Lebogang G. Julius, David O. Nkwe, Florence nareetile那 “<S.。pan class="adjust-article-svg-size">2-吡啶基聚吡啶基钌（II / III）复合物对非耐药性和耐药细菌的抗菌活性</S.。pan>“，<i>生物无机化学与应用</i>那 卷。2021.那 文章ID.5563209那 11.   页面那 2021.． https://doi.org/10.1155/2021/5563209</p> </div> <button class="sc-hSdWYo etauus sc-iBEsjs kPshFw" color="">显示引文</button> </div> <h1 class="sc-iRbamj jZOxOO sc-iSDuPN drIPpp article_title adjust-article-svg-size heading-title">2-吡啶基聚吡啶基钌（II / III）复合物对非耐药性和耐药细菌的抗菌活性</h1> </div> <div class="sc-jrIrqw eHMFfo article_authors"> <hr class="sc-cEvuZC XkrFe hr__author"> <span class="">James T. P. Matshwele<a class="sc-htpNat bUhGXt link" href="https://orcid.org/0000-0001-9032-8867" aria-label="Redirect to Doi" target="_blank"><img alt="" class="sc-EHOje iiusBg sc-iybRtq iQSObO" title="" role="presentation" 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<span class="">Sebusi odisitse.<a class="sc-htpNat bUhGXt link" href="https://orcid.org/0000-0002-2574-372X" aria-label="Redirect to Doi" target="_blank"><img alt="" class="sc-EHOje iiusBg sc-iybRtq iQSObO" title="" role="presentation" 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class="">达芙妮Mapolelo那<S.。up>3.</S.。up></span> <span class="">Melvin Leteane那<S.。up>3.</S.。up></span> <span class="">Lebogang g·朱利叶斯<a class="sc-htpNat bUhGXt link" href="https://orcid.org/0000-0002-9149-7192" aria-label="Redirect to Doi" target="_blank"><img alt="" class="sc-EHOje iiusBg sc-iybRtq iQSObO" title="" role="presentation" 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class="">大卫·o·Nkwe<a class="sc-htpNat bUhGXt link" href="https://orcid.org/0000-0001-6673-5980" aria-label="Redirect to Doi" target="_blank"><img alt="" class="sc-EHOje iiusBg sc-iybRtq iQSObO" title="" role="presentation" 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class=""><b>佛罗伦萨Nareetsile.</b><a class="sc-htpNat bUhGXt link" href="mailto:" aria-label="Mail Option"><span class="sc-htoDjs kNoiZu sc-hjRWVT irNWJI icon-colored _2zt-1j0LmaF8UjTQAM413G icon-themeable" title="" font-size="16"></span></a><a class="sc-htpNat bUhGXt link" href="https://orcid.org/0000-0002-5075-8309" aria-label="Redirect to Doi" target="_blank"><img alt="" class="sc-EHOje iiusBg sc-iybRtq iQSObO" title="" role="presentation" src="data:image/svg+xml;base64,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" height="16"></a><sup>3.</S.。up></span> <div class="sc-fHxwqH dMuGGA isHide"> <p><sup>1GydF4y2Ba</sup><span>博茨瓦纳国际科技大学，化学和法医学系，私人包16,Palapye，博茨瓦纳</S.。pan></p> <p><sup>2GydF4y2Ba</sup><span>博索大学应用科学系，博索博洛内邮编501564，博茨瓦纳</S.。pan></p> <p><sup>3.</S.。up><span>博茨瓦纳大学，理学院，私人袋，哈博罗内0704，博茨瓦纳</S.。pan></p> <p><sup>4.</S.。up><span>博茨瓦纳国际科技大学，生物科学和生物技术系，私人袋16,Palapye，博茨瓦纳</S.。pan></p> </div> <button class="sc-hSdWYo etauus sc-iQtOjA kfDwZY" color="">展示更多</button> </div> <div class="articleContent__EditorWrapper-sc-2yl9jy-3 evMkvU"> <div class="articleContent__TextWrapper-sc-2yl9jy-8 fYrLtk"> <b>学术编辑器:</b>康塞普西翁洛佩兹</D.iv> <div class="articleContent__PublicationTimeLineWrapper-sc-2yl9jy-4 fjviok"> <div class="articleContent__PublcationCol-sc-2yl9jy-5 hgKieC notPublished"> <span class="articleContent__PublicationField-sc-2yl9jy-6 cIribm">收到了</S.。pan> <span class="articleContent__PublicationValue-sc-2yl9jy-7 khHUcu">12月12日12月12日</S.。pan> </div> <div class="articleContent__PublcationCol-sc-2yl9jy-5 hgKieC notPublished"> <span class="articleContent__PublicationField-sc-2yl9jy-6 cIribm">修改</S.。pan> <span class="articleContent__PublicationValue-sc-2yl9jy-7 khHUcu">2021年3月16日</S.。pan> </div> <div class="articleContent__PublcationCol-sc-2yl9jy-5 hgKieC notPublished"> <span class="articleContent__PublicationField-sc-2yl9jy-6 cIribm">公认</S.。pan> <span class="articleContent__PublicationValue-sc-2yl9jy-7 khHUcu">20年4月29日</S.。pan> </div> <div class="articleContent__PublcationCol-sc-2yl9jy-5 hgKieC isPublished"> <span class="articleContent__PublicationField-sc-2yl9jy-6 cIribm">发表</S.。pan> <span class="articleContent__PublicationValue-sc-2yl9jy-7 khHUcu">2021年5月21日</S.。pan> </div> </div> </div> <article class="sc-jtRlXQ iASKvs article_body "> <div> <div class="xml-content"> <h4 class="header" id="abstract">摘要</h4> <p>一种新的2-吡啶-聚吡啶六齿酯配体(4,4 '-(丁烷- 1,4 -二酰基双(氧))双(N, N-二(吡啶-2-甲基)苯胺)(2BUT)<b>（1）</b>其相应的Ru（II / III）复合物被合成并表征，然后评估其可能的生物活性性能抗耐药性和非耐药细菌。使用质子NMR，FTIR和ESI-MS对配体进行光谱表征，这表明配体成功合成。Ru（II / III）复合物的特征在于FTIR，UV / Vis，元素分析，质子NMR，ESI-MS和磁性敏感性研究。分析复合物的ESI-MS数据显示它们已成功合成。源自复合物的元素分析的经验配方也表明了复合物的成功合成和相对纯度。使用FTIR梳理后，可以观察到配体的重要官能团。磁化率数据和电子光谱表明，两个配合物采用低自旋配置。盘扩散测定用于测试两种细菌种类上的抗生素活性的化合物及其耐药性对应物。该化合物显示出两种非耐药细菌的抗生素活性<i>．</i>至于耐药生物，只有[ru<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)<S.。ub>2GydF4y2Ba</sub>]（B.<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub><b>3.</b>2,2 -二吡啶胺抑制MRSA的生长。凝胶电泳DNA切割研究表明，配体没有DNA切割特性，而所有的配合物都使细菌DNA变性。因此，复合物可能对细菌基因组材料具有DNA核酸酶活性。</p> <span class="end-abs"></span> <h4 id="introduction">1.介绍</h4> <p>自顺铂作为抗肿瘤剂的成功以来，其他铂族金属络合物作为潜在的生物活性剂，尤其是钌的兴趣，尤其是钌[<a href="#B1">1GydF4y2Ba</a>-<a href="#B6">6.</a>］.多年来，人们观察到钌配合物具有潜在的抗菌、抗癌和抗病毒药物的生物活性[<a href="#B7">7.</a>-<a href="#B10">10.</a>］.钌没有任何特异性生化作用，但在生物系统中仍然没有毒性[<a href="#B1">1GydF4y2Ba</a>］.钌配合物由于其特殊的化学性质，如与Pt (II)配合物具有相似的配体交换性质，也引起了人们的广泛关注[<a href="#B2">2GydF4y2Ba</a>］.因此，一些钌配合物可能具有与铂配合物相似的生物功效，尽管相对于铂配合物具有更低的细胞毒性[<a href="#B2">2GydF4y2Ba</a>］.此外，钌可以进入可变氧化态（II，III和IV）。已知与这些氧化钌氧化态相关的互连电位是相对较低的。因此，通过这些氧化状态在生物系统中改变可能并不困难。此外，已经观察到钌配合物的低毒性来自惰性Ru（III）络合物，该配合物被证明在通过氧化还原生化环境（例如癌细胞环境）减少到Ru（II）时变为活性[<a href="#B11">11.</a>-<a href="#B13">13.</a>］.</p> <p>各种文献报告表明，含吡啶基部分的钌配合物具有有效的抗菌活性，这与可变氧化状态有关，钌中心的低毒性，以及吡啶基环渗透细菌膜壁的能力。已知一些诸如具有1,10菲咯啉和鸟嘌呤配体的实例，表现出一些抗菌活性朝革兰氏阳性和革兰氏阴性细菌菌株<i>．</i>这些配合物向革兰氏阳性和革兰氏阴性细菌菌株显示生物活性。它们对多药（MDR）的抗菌活性<i>肺炎克雷伯菌</i>据报道，甚至高于市售抗生素氯霉素和环丙沙星的高<a href="#B3">3.</a>]<i>．</i>在Gopinath等人的另一个研究中，使用叶提取物的绿色化学合成钌纳米粒子（NPS）<i>Gloriosa Superba.</i>植物进行了。这些基于钌的绿NPS向革兰氏阳性和革兰氏阴性细菌表达了一些有趣的广谱抗菌活性[<a href="#B4">4.</a>］.Lam等开发了一些Ru(II)双(2,2′-联吡啶)配合物与n-苯基取代的二氮杂氟烯，并测试了它们对甲氧西林抗性的生物活性<i>金黄色葡萄球菌</i>（MRSA）[<a href="#B5">5.</a>]<i>．</i>其最低抑菌浓度较低<i>CIS.</i>-二氯二(2,2′-联吡啶)钌与其他配合物相比，表明其具有更高的抗MRSA效力。</p> <p>我们之前的研究[<a href="#B6">6.</a>结果表明，聚吡啶钌配合物对两种非耐药细菌均有抗菌活性<i>S.金黄色葡萄球菌</i>和<i>肺炎克雷伯菌。</i>通过抑制革兰氏阴性和革兰氏阳性细菌的生长，复合物显示了广谱活性。此外，所有配体对耐药细菌MRSA均显示一些活性。但是，没有复合物对MRSA和MDR都有活动<i>肺炎克雷伯菌。</i>在这方面，我们将钌中心的配体与靶向耐药细菌的希望进行修饰，并且我们的研究结果在此报道，其中核核（II）复合物和配体展示了抗毒性细菌的有趣抗菌活性．</p> <h4 id="experimental">2.实验</h4> <h5 id="sec2.1">２.１.材料和仪器</h5> <p>用于合成的化学品和试剂和用于生物活性测定的试剂购自Merck，Sigma-Aldrich，USA，并使用无需进一步纯化即可使用。使用PerkinElmer System 2000 FTIR光谱仪（USPELMERS），在4000-500nm区域中记录化合物的纯膜红外光谱。使用Shimadzu UV-31-1 PC扫描分光光度计（Shimadzu Corp，Japan）在室温下在1cm路径长度石英细胞中记录UV可见吸收光谱。使用Bruker Daltonics Microotof-Q II ESI-QQ-TOF质谱仪（Bruker Daltonics，德国）获得了Hresi-MS数据。收购参数如下：HRESI-MS;干燥气体在180°C干燥气体温度下为50升/小时，在300℃下脱溶化气体为591升/小时，毛细管电压为4.5 kV。<S.。up>1GydF4y2Ba</sup>在0-10ppm范围内的Agilent 600MHz光谱仪在5mM NMR管中在5mM NMR管中在5mM NMR管中获得H-NMR和光谱。使用使用的溶剂是具有参考材料TMS（Agilent Technologies，USA）的氘代氯仿。数据在Mestrenova 9.0.1-13254上处理。用MatkinElmer元素分析仪（PerkinElmer，USA）进行元素分析（CHNO）。</p> <h5 id="sec2.2">2.2。合成</h5> <p>2,2 -二吡啶胺(DPA)配体购自美国Merck, Sigma-Aldrich。中间配合物Li[Ru(Cl)]<S.。ub>4.</S.。ub>(DPA)]<b>2GydF4y2Ba</b>根据我们以前的研究中的程序进行制备[<a href="#B6">6.</a>］.简而言之，用于合成配体和所有复合物的合成方案如图所示<a href="//www.newsama.com/journals/bca/2021/5563209/fig1/" target="_blank">1GydF4y2Ba</a>．</p> <div class="floats-partial-section partial-carousel-wrapper" data-section="fig1"> <div class="floats-partial-content fig-content-fig1"> <div class="partial-carousel--single-image"> <img alt="" name="5563209.fig.001" src="https://static-01.hindawi.com/articles/bca/volume-2021/5563209/figures/5563209.fig.001.svgz"> <br> <strong></strong> </div> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">图1</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/fig1/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 配体2BUT的合成路线<b>（1）</b>和钌络合物:[Ru<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub> <b>（3）</b>和[ru.<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]<b>（4）</b>．</D.iv> </div> </div> <h6 id="sec2.2.1">2.2.1。制备4,4' - （丁烷-1,4-二基（氧））双（N，N-双（吡啶-2-基甲基）苯胺）（2But）<b>（1）</b></h6> <p>将4,4 '-(丁烷- 1,4 -二基双(氧))二苯胺(160 mg, 0.60 mmol)和2-氯甲基吡啶(200 mg, 1.2 mmol)混合在10 mL(1:1)乙腈-水溶剂混合物中，置于50 mL圆底烧瓶中。然后加入半滴十六烷基三甲基溴化铵(CTAB)，以辅助萃取时的相转移。将上述试剂回流，同时加入5 mL氢氧化钠(48 mg, 1.2 mmol)，持续30分钟。反应继续回流2小时。然后冷却溶液，用30毫升二氯甲烷提取三次。将三份提取物与无水硫酸镁混合并干燥。提取液蒸发后会产生一种棕色的油，在空气中放置几天后会凝固。产率:280mg, 76.0%。议员145 - 147°C。IR（<i>υ</i><sub>最大限度</S.。ub>/厘米<S.。up>-1</S.。up>）（C-H）2926，（C = C）1508，（Ar-N）1431，（C-O）1230。<S.。up>1GydF4y2Ba</sup>H NMR (600 MHz, CDCl<S.。ub>3.</S.。ub>那<i>δ</i>）8.48（m，4h），7.53（m，4h），7.24（m，4h），7.07（m，4h），6.68-6.53（DD，<i>j</i>= 8.6赫兹,4 h), 4.67(年代,8 h), 3.87 - -3.81 (t, 2 h), 1.85 - -1.73 (q, 2 h)。HRESI-MS [M + H]<S.。up>+</S.。up><i>m</i>/<i>Z.</i>637.3412（C计算C.<S.。ub>40</S.。ub>H<S.。ub>41.</S.。ub>N<S.。ub>6.</S.。ub>O.<S.。ub>2GydF4y2Ba</sub>637.8075）。</p> <h6 id="sec2.2.2">2.2.2。[ru<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub><b>（3）</b></h6> <p>四氯(二吡啶胺)钌酸锂(III) (170 mg, 0.40 mmol)， 4,4 '-(丁烷- 1,4 -二基双(氧))双(<i>n，n</i>- 在氮气氛下在120℃下在10mL二甲基甲酰胺中回流在10mL二甲基甲酰胺中，在10mL二甲基甲酰胺中回流3小时，在120℃下在10mL二甲基甲酰胺中回流3小时，在10ml二甲基甲酰胺中回流3小时。蓝绿色溶液在反应过程中慢慢变为深蓝色。将溶液冷却，并通过玻璃棒搅拌加入过量的30％硼氢化钠。通过液 - 液萃取萃取沉淀物，用二氯甲烷的反应物质除去过量的二甲基甲酰胺。获得红粉无定形粉末。产量：160毫克，62.0％。IR（<i>υ</i><sub>最大限度</S.。ub>/厘米<S.。up>-1</S.。up>）（C-H）2961（C = C）1504，（C-O）1244，（AR-N）1434，（C = O.<S.。ub>DMF.</S.。ub>）1668。<S.。up>1GydF4y2Ba</sup>H NMR (600 MHz, CDCl<S.。ub>3.</S.。ub>）<i>D.</i>9.84-9.66（m，4h），8.52（m，4h），7.83（m，4h），7.68（m，2h），7.58-7.43（m，8h），7.20-7.05（m，8h），6.71（M，4H），6.59（M，4H），4.53（S，4H），3.86（M，4H），2.55（M，4H），0.92-0.71（M，12H）。UV-Vis（DMF;<i>λ</i>MAX（NM））：262,462,532.HRESI-MS [M + 2NA-H] +<i>m</i>/<i>Z.</i>1372.7879（C计算C<S.。ub>66.</S.。ub>H<S.。ub>72.</S.。ub>N<S.。ub>14.</S.。ub>O.<S.。ub>4.</S.。ub>茹<S.。ub>2GydF4y2Ba</sub>1373.3612)。肛交。找到C的(%)<S.。ub>66.</S.。ub>H<S.。ub>88</S.。ub>B.<S.。ub>4.</S.。ub>N<S.。ub>14.</S.。ub>O.<S.。ub>4.</S.。ub>茹<S.。ub>2GydF4y2Ba</sub><b>•</b>0.9 h<S.。ub>2GydF4y2Ba</sub>o：56.89％;H，6.33％;n，13.59％。计算（％）C，56.50％;H，6.45％;n，13.98％。</p> <h6 id="sec2.2.3">2.2.3。[ru<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]<b>（4）</b></h6> <p>三氯化钌三水合物（1000mg，4.8mmol），4,4' - （丁烷-1,4-亚豆盆（氧））双（<i>n，n</i>-BIS（吡啶-2-基甲基）苯胺）（1500mg，2.4mmol）和氯化锂（200mg，4.7mmol）溶解在30ml无水乙醇中。将黑色混合物在120℃下回流3小时，并在仍然热处理。在反应过程中形成的深紫沉淀，并立即过滤，同时通过抽吸热过滤并用3×30ml乙醇洗涤，然后用3×30ml乙醚洗涤。产量：1700毫克，70.0％。IR（<i>υ</i><sub>最大限度</S.。ub>/厘米<S.。up>-1</S.。up>）（H<S.。ub>2GydF4y2Ba</sub>O）3403，（C-H）2948，（C = C）1508，（C-O）1245，（AR-N）1435，（C = O.<S.。ub>DMF.</S.。ub>）1949年。<S.。up>1GydF4y2Ba</sup>H NMR (600 MHz, CDCl<S.。ub>3.</S.。ub>）<i>δ</i>7.46-8.06（m，24h），3.76（t，<i>j</i> = 6.4 Hz, 4H), 2.60 (s, 8H), 1.89–1.85 (m, 4H). UV-Vis (DMF;<i>λ</i>Max (nm): 297, 412, 604。HRESI-MS [M + K)<S.。up>+</S.。up><i>m</i>/<i>Z.</i>(calcd for C .<S.。ub>41.</S.。ub>H<S.。ub>43.</S.。ub>CL.<S.。ub>6.</S.。ub>N<S.。ub>6.</S.。ub>O.<S.。ub>2GydF4y2Ba</sub>茹<S.。ub>2GydF4y2Ba</sub>1103.9332)。肛交。找到C的(%)<S.。ub>41.</S.。ub>H<S.。ub>43.</S.。ub>CL.<S.。ub>6.</S.。ub>N<S.。ub>6.</S.。ub>O.<S.。ub>2GydF4y2Ba</sub>茹<S.。ub>2GydF4y2Ba</sub><b>•</b>0.6小时<S.。ub>2GydF4y2Ba</sub>o：45.66％;h，3.70％;n，7.50％。计算（％）C，45.26％;h，3.90％;n，7.92％。</p> <h5 id="sec2.3">2.3。抗微生物研究</h5> <p>采用圆盘扩散法和最小抑制浓度法，如我们以前的出版物[<a href="#B6">6.</a>]以及文献中总结的临床实验室标准（NCCL）国家委员会[<a href="#B7">7.</a>］.所有样品有机体都是由国家卫生实验室，博茨瓦纳，戈纳隆捐赠的临床分离物。通过肉汤微稀释方法测定最小抑制浓度（MIC）。在连续稀释液中制备六个浓度的每种金属化合物：（40,20,10,5,2.5和1.25）g / ml。细菌接种潜水时间不超过24小时，调整到0.5麦克兰标准，进一步稀释至5×10<S.。up>5.</S.。up> CFU/mL by double distilled water. For the determination of the MIC, serial dilution was made in MH broth to a final volume of 100 <i>μ</i>l在96孔板中，等分试样100 <i>μ</i>L的细菌溶液加入到每个溶液中。实验使用alamarBlue进行;这个实验显示了颜色的变化。在颜色变化中，观察到MIC是第一次稀释，从蓝色溶液没有颜色变化。这是随着金属化合物浓度的增加而观察到的。染料的颜色由蓝色变为粉红色，表明有活的微生物。为准确起见，生物测定采用三个重复。使用方差分析对生物测定进行统计评估，然后<i>T.</i>-测试（<S.。vg height="10.2124pt" id="M1" style="vertical-align:-3.42943pt" version="1.1" viewbox="-0.0498162 -6.78297 7.83752 10.2124" width="7.83752pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.013,0,0,-0.013,0,0)"> <path d="M570 304C570 398 525 448 414 448C385 448 343 445 312 434L329 511L321 518C297 504 262 482 244 460L233 411C195 397 159 381 128 358L135 332C160 347 189 360 224 373L111 -147C97 -210 84 -218 17 -231L13 -257L254 -247L259 -218L233 -216C183 -212 177 -202 189 -142L218 -1C238 -10 266 -12 283 -12C351 3 429 48 483 105C543 168 570 242 570 304ZM482 289C482 161 380 33 304 33C278 33 248 51 233 69L303 396C326 400 352 403 369 403C428 403 482 380 482 289Z" id="g113-113"></path> </g> </svg><i><</i> 0.05).</p> <p>盘扩散测定短暂地进行如下进行。将细菌培养悬浮液接种在90mM培养皿中的ueller-hinton（MH）琼脂上。使用的细菌菌株是<i>S.金黄色葡萄球菌</i>那<i>K.肺炎</i>MRSA和MDR<i>K.肺炎</i>，质量控制细菌如<i>金黄色葡萄球菌</i>（ATCC 25923），<i>大肠杆菌</i>(写明ATCC 25922)<i>克雷伯氏菌肺炎</i>（ATCC 70063）包含在实验设置中。然后，无菌Whatman滤纸，用测试化合物浸渍（5 <i>μ</i>l浓度(MIC测定)，置于琼脂上，35±2℃孵育18 h。阴性对照为只含MH培养基的培养皿。18 h孵育后，测量包括椎间盘直径在内的抑制区。直径大于7毫米的抑制带被认为是积极的结果。</p> <h5 id="sec2.4">2.4。DNA裂解测定</h5> <p>所采用的方法如前所述[<a href="#B6">6.</a>］.测试化合物的DNA结合能力<i>S.金黄色葡萄球菌</i>通过琼脂糖凝胶电泳测定细菌DNA，评估化合物是否与细菌DNA有任何相互作用。10微升的化合物，如MIC测定中测定的抗微生物活性与10混合 <i>μ</i>l (53<i>μ</i>g / mL<i>S.金黄色葡萄球菌</i>DNA于Tris-HCl/NaCl缓冲液中，37℃孵育2 h。孵育后，样品在三乙酸- edta缓冲液中，在0.8%的凝胶上运行，在60 V下运行90分钟。用溴化乙酯对凝胶进行染色，在254 nm紫外光下拍照。</p> <h4 id="results-and-discussion">3.结果与讨论</h4> <h5 id="sec3.1">3.1。化合物的合成</h5> <p>三种新化合物，配体2BUT<b>1GydF4y2Ba</b>和复合体<b>3.</b>和<b>4.</b>如图所示<a href="//www.newsama.com/journals/bca/2021/5563209/fig1/" target="_blank">1GydF4y2Ba</a>，成功地制备了适量。复合<b>1GydF4y2Ba</b>通过使用1,4-溴丁烷的氧亲核化学烷基化的化学选择性烷基化，具有2摩尔当量的4-氨基苯酚得到4,4' - （丁烷-1,4-二基（氧））Dianiline中间配体。这样做是为了阻断4-氨基苯酚的氧气和氮亲核试剂之间的竞争反应。提出了2个单曲配体的合成的反应路径遵循<i>S.</i><sub><i>N</i></sub><i>2GydF4y2Ba</i>机制。这提出了由于使用强碱氢氧化钠和使用原代苄基/吡啶基卤化物2-吡啶基。将配体作为棕色油回收，产率为76％。中间配体4,4' - （丁烷-1,4-二基（氧化丁））Dianiline具有四种由强碱氢氧化钠脱向的质子，以便连接2-吡啶型臂。在光谱上观察到2-怯懦臂的新附着，在质子NMR中，引入了来自2-菲利宾臂的芳香族多重，而在FTIR中存在（NH）的消失<S.。ub>2GydF4y2Ba</sub>）振动频率高于3000厘米的峰值<S.。up>-1</S.。up>．在1431.3厘米处观察到的2-野虾臂，还有一个新的芳香族氮的峰值。<S.。up>-1</S.。up>．</p> <p>钌配合物的反应路径可遵循解离或缔合机理。这是因为反应中存在配体的取代。还有与RuCl反应的氮基配体<S.。ub>3.</S.。ub>•3H.<S.。ub>2GydF4y2Ba</sub>o是一个边缘基础，ru（iii）也是边界。这使得联想或分离机制成为可能受青睐。因此，在这方面，吡啶基配体与钌中心结合以形成Ru（III）[<a href="#B8">8.</a>］.钌(II)配合物，以还原剂二甲基甲酰胺为溶剂和过量的吡啶配体，钌被还原为较软的Ru(II) [<a href="#B8">8.</a>］.经过许多失败的尝试生长晶体，我们采取了使用元素分析和其他互补数据来表征复合物<b>3.</b>和<b>4.</b>下一节将介绍它们的特性。</p> <h5 id="sec3.2">3.2。配体和复合物的表征</h5> <h6 id="sec3.2.1">3.2.1之上。傅里叶变换红外光谱表征</h6> <p>利用傅立叶变换红外光谱(FTIR)对其特征振动频率进行了确定。这是为了观察配体和配合物中重要官能团的伸缩频率。新配体和配合物中需要注意的重要官能团见表<a href="//www.newsama.com/journals/bca/2021/5563209/tab1/" target="_blank">1GydF4y2Ba</a>．中间配体4,4' - （丁烷-1,4-二谷物（氧））Dianiline显示胺（-NH<S.。ub>2GydF4y2Ba</sub>）频率为3311-3387厘米的振动<S.。up>-1</S.。up>，当2-苄基连接时，它就消失了。2BUT配体显示了以下重要的功能，这些功能在中间配体中仍然可以观察到:脂肪族(C-H)振动频率为2926 cm<S.。up>-1</S.。up>．芳香(C=C)振动频率为1508厘米<S.。up>-1</S.。up>和（C-O-C）振动，在1230厘米处是一个尖锐和强峰的振动<S.。up>-1</S.。up>也观察到。最后，我们观察了1431 cm处的芳香吡啶基氮振动(C=N)<S.。up>-1</S.。up>．商业购买的2,2-二吡啶胺配体基本峰也在表中制表<a href="//www.newsama.com/journals/bca/2021/5563209/tab1/" target="_blank">1GydF4y2Ba</a>，与新的2BUT配体进行比较。</p> <div class="floats-partial-section partial-other-wrapper" data-section="tab1"> <div class="floats-partial-content fig-content-tab1"> <table class="table-group" id="tab1"> <tbody> <tr> <td> <table class="table"> <tbody> <tr> <td class="thead-hr" colspan="6"> <hr></td> </tr> <tr class="thead"> <td class="align_left">复合</T.。D.> <td class="align_center">C-O（cm<S.。up>-1</S.。up>）</T.。D.> <td class="align_center">ar-n（cm<S.。up>-1</S.。up>）</T.。D.> <td class="align_center">c = c（cm<S.。up>-1</S.。up>）</T.。D.> <td class="align_center">碳氢键(cm<S.。up>-1</S.。up>）</T.。D.> <td class="align_center">n-h（cm<S.。up>-1</S.。up>）</T.。D.> </tr> <tr> <td class="thead-hr" colspan="6"> <hr></td> </tr> <tr> <td class="align_left">DPA.</T.。D.> <td class="align_center">-</T.。D.> <td class="align_center">1477.</T.。D.> <td class="align_center">1529</T.。D.> <td class="align_center">3019.</T.。D.> <td class="align_center">3179-3253</T.。D.> </tr> <tr> <td class="align_left">2<b>（1）</b></td> <td class="align_center">1230.</T.。D.> <td class="align_center">1476.</T.。D.> <td class="align_center">1508</T.。D.> <td class="align_center">2926</T.。D.> <td class="align_center">-</T.。D.> </tr> <tr> <td class="align_left">[俄文<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub><b>（3）</b></td> <td class="align_center">1244.</T.。D.> <td class="align_center">1434</T.。D.> <td class="align_center">1504</T.。D.> <td class="align_center">2961</T.。D.> <td class="align_center">-</T.。D.> </tr> <tr> <td class="align_left">[俄文<S.。ub>2GydF4y2Ba</sub>（2BUT）（CL<S.。ub>6.</S.。ub>]<b>（4）</b></td> <td class="align_center">1245.</T.。D.> <td class="align_center">1435</T.。D.> <td class="align_center">1508</T.。D.> <td class="align_center">2948</T.。D.> <td class="align_center">-</T.。D.> </tr> <tr class="table-tr"> <td colspan="6"> <hr class="tbody-hr"></td> </tr> </tbody> </table></td> </tr> <tr class="table-fn"> <td> <div> 振动光谱数据表明了配体和配合物的所有官能团。此外，有人看出，由金属结合的配体官能团显示振动频率的偏移，这表明存在协调。<br> </div></td> </tr> </tbody> </table> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">表格1</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/tab1/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 配体和配合物的FTIR分配。</D.iv> </div> </div> <p>复合物FTIR数据表明形成了复合物。这是基于钌与配体的结合性质。根据胡克的定律，振动频率与弹簧的强度成正比。这意味着春季较强，振动频率越高。由于络合，电子密度可以增加或减少粘合剂;因此，键的振动频率可以增加或减少。吡啶基氮的碳氮键的振动频率的观察到减少，并且假设这是由钌电感拉动电子从吡啶基氮的引起的，如图所示<a href="//www.newsama.com/journals/bca/2021/5563209/fig2/" target="_blank">2GydF4y2Ba</a>[<a href="#B6">6.</a>］.从复合物中的配体中的所有其他重要官能团被观察到表格中<a href="//www.newsama.com/journals/bca/2021/5563209/tab1/" target="_blank">1GydF4y2Ba</a>．</p> <div class="floats-partial-section partial-carousel-wrapper" data-section="fig2"> <div class="floats-partial-content fig-content-fig2"> <div class="partial-carousel--single-image"> <img alt="" name="5563209.fig.002" src="https://static-01.hindawi.com/articles/bca/volume-2021/5563209/figures/5563209.fig.002.svgz"> <br> <strong></strong> </div> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">图2.</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/fig2/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 钌从吡啶氮中拉出电子，因此，根据胡克定律，降低了C=N键的电子密度和这个键的振动频率。</D.iv> </div> </div> <h6 id="sec3.2.2">3.2.2。电子光谱和磁化率</h6> <p>进行电子谱和磁性敏感性研究以找到氧化状态和复合物的旋转。将观察到300nm以下的电子转换分配给配体<i>π</i>-<i>π</i> <svg height="10.1524pt" id="M2" style="vertical-align:-0.04990005pt" version="1.1" viewbox="-0.0498162 -10.1025 6.17869 10.1524" width="6.17869pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.0091,0,0,-0.0091,0,-5.741)"> <path d="M486 158C486 177 478 202 466 220C413 228 386 236 336 262C386 288 413 297 466 304C478 323 486 347 485 366C470 376 444 381 422 380C389 338 368 319 321 288C323 345 329 372 349 422C339 442 322 461 305 470C289 461 271 442 262 422C281 372 287 345 290 288C243 319 222 338 189 380C167 381 142 376 125 366C125 347 133 322 145 304C198 296 225 288 275 262C225 236 198 227 145 220C133 201 125 177 126 158C141 148 167 143 189 144C222 186 243 205 290 236C288 179 282 152 262 102C272 82 289 63 306 54C322 63 340 82 350 102C330 152 324 179 321 236C368 205 390 186 422 144C444 143 470 148 486 158Z" id="g50-43"></path> </g> </svg>和其他电荷转移过渡，特别是吡啶基配体具有低洼<i>π</i>-轨道和金属离子的未占据能量较高<i>D.</i>轨道。然而，在400 nm以上观察到的所有跃迁都归因于<i>D-D.</i>过渡。Ru（iii）复杂<b>4.</b>预计将至少显示四个能量可观察到的<i>D-D.</i>根据其<i>D.</i><sup>5.</S.。up>Tanabe-Sugano图。由于含有钌，该配合物被指定为低自旋配合物<i>4D.</i>轨道大;这意味着配对能量大部分小于分裂参数，从而导致与任何配体类型的低自旋配合物。因此,使用一个<i>D.</i><sup>5.</S.。up>Tanabe-Sugano图,复杂<b>4.</b>被分配了<i>D-D.</i>转换604海里<S.。up><i>2GydF4y2Ba</i></sup><i>T.</i><sub><i>2G</i></sub>（<i>一世</i>） <i>⟶</i><sup><i>2GydF4y2Ba</i></sup><i>T.</i><sub><i>2G</i></sub><i>那</i><sup><i>2GydF4y2Ba</i></sup><i>一种</i><sub><i>2G</i></sub>（<i>一世</i>),<i>412. </i>纳米<S.。up><i>2GydF4y2Ba</i></sup><i>T.</i><sub><i>2G</i></sub>（<i>一世</i>） <i>⟶</i><sup><i>2GydF4y2Ba</i></sup> <svg height="14.1649pt" id="M3" style="vertical-align:-5.529pt" version="1.1" viewbox="-0.0498162 -8.6359 13.8501 14.1649" width="13.8501pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.013,0,0,-0.013,0,0)"> <path d="M593 650H142L136 622C219 616 224 611 209 531L130 120C114 39 108 34 23 28L17 0H501C518 32 557 130 568 158L540 169C519 132 495 93 469 70C439 43 409 35 332 35C272 35 241 37 225 50C211 61 211 89 222 149L253 320H350C441 320 443 312 441 239H471L510 434H481C455 366 448 358 360 358H260L303 572C311 613 312 615 348 615H431C509 615 522 603 532 581C544 555 546 531 545 491L574 493C583 555 592 631 593 650Z" id="g113-70"></path> </g> <g transform="matrix(.0091,0,0,-0.0091,7.943,3.132)"> <path d="M554 433L549 437C539 437 513 441 503 443C481 447 456 451 436 451C354 451 268 415 216 368C150 308 99 205 99 106C99 24 136 -12 165 -12C196 -12 243 14 268 33C318 70 374 118 415 181H419L395 39C374 -84 332 -149 295 -175C269 -193 245 -197 212 -197C137 -197 93 -156 76 -102C71 -87 61 -87 51 -96C36 -110 24 -130 24 -147C24 -183 76 -257 171 -257C226 -257 285 -227 323 -200C387 -155 455 -76 480 94C499 225 538 391 554 433ZM460 386C457 361 438 287 426 254C408 218 373 176 332 133C294 93 246 61 217 61C198 61 186 80 186 122C186 167 206 250 231 294C262 349 288 375 317 387C334 394 358 400 381 400C413 400 439 393 460 386Z" id="g50-104"></path> </g> </svg>（<i>一世</i>）这是能量可见的乐队。这些总结在表中<a href="//www.newsama.com/journals/bca/2021/5563209/tab2/" target="_blank">2GydF4y2Ba</a>，摩尔消光系数也表明这些是<i>D-D.</i>过渡的乐队。此外,复杂的<b>4.</b>具有1.68 bm的实验磁矩与旋转的磁力矩为1.73 bm，用于低旋转<i>D.</i><sup><i>5.</i></sup>复杂的。从低旋转<i>D.</i><sup>5.</S.。up>田边-菅野图，可以看出该复相有一个基础项<i>T.</i>，这意味着它应该具有旋转轨道贡献，因为这对于复杂来说是正确的<i>T.</i>条款。因此，预期有效磁矩在1.73 BM以上(仅自旋磁矩计算值)。然而，这种偏差可以通过如图所示的Jahn-Teller扭曲来解释<a href="//www.newsama.com/journals/bca/2021/5563209/fig3/" target="_blank">3.</a>．</p> <div class="floats-partial-section partial-other-wrapper" data-section="tab2"> <div class="floats-partial-content fig-content-tab2"> <table class="table-group" id="tab2"> <tbody> <tr> <td> <table class="table"> <tbody> <tr> <td class="thead-hr" colspan="3"> <hr></td> </tr> <tr class="thead"> <td class="align_left">过渡</T.。D.> <td class="align_center">[俄文<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub><b>（3）</b>（nm）（<i>ε</i>×10<S.。up>4.</S.。up>（l mol.<S.。up>-1</S.。up> cm<S.up>-1</S.。up>））（0.32毫米）</T.。D.> <td class="align_center">[俄文<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]<b>（4）</b>（nm）（<i>ε</i>×10<S.。up>4.</S.。up>（l mol.<S.。up>-1</S.。up> cm<S.up>-1</S.。up>）））（0.62毫米）</T.。D.> </tr> <tr> <td class="thead-hr" colspan="3"> <hr></td> </tr> <tr> <td class="align_left"><i>π</i>-<i>π</i> <svg height="10.1524pt" id="M4" style="vertical-align:-0.04990005pt" version="1.1" viewbox="-0.0498162 -10.1025 6.17869 10.1524" width="6.17869pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.0091,0,0,-0.0091,0,-5.741)"> <path d="M486 158C486 177 478 202 466 220C413 228 386 236 336 262C386 288 413 297 466 304C478 323 486 347 485 366C470 376 444 381 422 380C389 338 368 319 321 288C323 345 329 372 349 422C339 442 322 461 305 470C289 461 271 442 262 422C281 372 287 345 290 288C243 319 222 338 189 380C167 381 142 376 125 366C125 347 133 322 145 304C198 296 225 288 275 262C225 236 198 227 145 220C133 201 125 177 126 158C141 148 167 143 189 144C222 186 243 205 290 236C288 179 282 152 262 102C272 82 289 63 306 54C322 63 340 82 350 102C330 152 324 179 321 236C368 205 390 186 422 144C444 143 470 148 486 158Z"></path> </g> </svg>和CT.</T.。D.> <td class="align_center"><<b>262.</b>[1.009]，<b>345</b>[0.5469]</T.。D.> <td class="align_center"><<b>297.</b>[5.240]</T.。D.> </tr> <tr> <td class="align_left"><i>D-D.</i></td> <td class="align_center"><b>462</b>(0.1626),<b>532.</b>[0.1325]</T.。D.> <td class="align_center"><b>412.</b>(0.1356),<b>604.</b>[0.0750]</T.。D.> </tr> <tr class="table-tr"> <td colspan="3"> <hr class="tbody-hr"></td> </tr> </tbody> </table></td> </tr> <tr class="table-fn"> <td> <div> CT:电荷转移带。电子光谱数据表明，配合物为低自旋Ru(III)。<i>D.</i> <sup><i>5.</i></sup>和茹（ii）<i>D.</i> <sup><i>6.</i></sup>复合物。同时，配合物带的摩尔吸光率表明它们是它们真正的指定跃迁。<br> </div></td> </tr> </tbody> </table> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">表2</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/tab2/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 复合物及其相关的电子光谱条带。</D.iv> </div> </div> <div class="floats-partial-section partial-carousel-wrapper" data-section="fig3"> <div class="floats-partial-content fig-content-fig3"> <div class="partial-carousel--single-image"> <img alt="" name="5563209.fig.003" src="https://static-01.hindawi.com/articles/bca/volume-2021/5563209/figures/5563209.fig.003.svgz"> <br> <strong></strong> </div> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">图3.</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/fig3/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 怀疑弱的扬特勒扭曲复杂<b>4.</b> <i>笔记</i>．这张图表不是按比例绘制的。该图表演示了<S.。vg height="11.4899pt" id="M5" style="vertical-align:-5.52899pt" version="1.1" viewbox="-0.0498162 -5.96091 11.2142 11.4899" width="11.2142pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.013,0,0,-0.013,0,0)"> <path d="M391 364C391 409 353 448 295 448C249 448 198 426 152 393C65 331 23 225 23 139C23 14 96 -12 146 -12C198 -12 280 9 367 101L351 124C300 78 242 48 194 48C129 48 109 107 109 162V191C208 213 391 266 391 364ZM313 350C313 305 268 261 113 223C132 334 187 381 217 398C227 404 244 405 261 405C290 405 313 385 313 350Z" id="g113-102"></path> </g> <g transform="matrix(.0091,0,0,-0.0091,5.317,3.132)"> <use xlink:href="#g50-104"></use> </g> </svg>轨道在“对称标签”下变换<S.。vg height="13.3428pt" id="M6" style="vertical-align:-5.52898pt" version="1.1" viewbox="-0.0498162 -7.81382 14.71 13.3428" width="14.71pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.013,0,0,-0.013,0,0)"> <path d="M324 430H196L233 583L223 592L145 529L120 430H54L29 396L31 388H111L56 126C33 15 54 -12 77 -12C137 -12 214 57 250 95L233 119C208 92 155 59 138 59C126 59 120 70 131 125L186 390L298 394L324 430Z" id="g113-117"></path> </g> <g transform="matrix(.0091,0,0,-0.0091,4.368,3.132)"> <path d="M414 144C384 79 371 75 317 75H135L276 221C367 316 408 376 408 465C408 570 327 635 237 635C179 635 131 609 100 575L42 494L67 471C94 510 138 565 205 565C277 565 321 517 321 435C321 348 258 270 195 195C146 137 88 81 33 26V0H411C423 44 433 88 446 135L414 144Z" id="g50-51"></path> </g> <g transform="matrix(.0091,0,0,-0.0091,8.8,3.132)"> <use xlink:href="#g50-104"></use> </g> </svg>轨道在A'，A“和A”下变换;这一观察表明Jahn-Talker畸变弱。这解释了为什么观察到的有效磁矩比预期的磁矩低一点，这是由于未配对的电子没有与其他轨道相互作用的轨道贡献，因此对磁矩没有影响。</D.iv> </div> </div> <p>在这个复合物上使用的配体<b>4.</b>有一个吡啶基团，它有许多键相互作用，使它在光谱化学系列的强度高于平均。的<i>D-</i>钌的轨道与以下内容相互作用：吡啶基<i>SP.</i><sup><i>2GydF4y2Ba</i></sup>芳香氮中的杂化孤对电子<i>π</i>来自芳香缀合的电子<i>π</i>债券和空戒指<i>π</i>磁气也可能接受来自金属轨道的电子。这些轨道互动被认为导致一些弱细长的jahn-theller扭曲[<a href="#B9">9.</a>]在复杂<b>4.</b><i>D-</i>轨道，使有效磁矩低于自旋轨道和仅自旋计算磁矩。数字<a href="//www.newsama.com/journals/bca/2021/5563209/fig3/" target="_blank">3.</a>显示了这些弱的扬-泰勒扭曲是如何导致这一现象的。拟复结构<b>4.</b>假设在下面改造<i>C</i><sub><i>S.</i></sub>点群。该点群字符表包含完全对称的A '和反对称的A″对称元素。这些对称元素表明<S.。vg height="11.4899pt" id="M7" style="vertical-align:-5.52899pt" version="1.1" viewbox="-0.0498162 -5.96091 11.2142 11.4899" width="11.2142pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"> <g transform="matrix(.013,0,0,-0.013,0,0)"> <use xlink:href="#g113-102"></use> </g> <g transform="matrix(.0091,0,0,-0.0091,5.317,3.132)"> <use xlink:href="#g50-104"></use> </g> </svg>轨道完全对称，在A '对称元下发生转换<i>T.</i><sub><i>2G</i></sub>这个配合物的轨道没有相同的对称性，在A '和A″下都发生了变化。两个<i>T.</i><sub><i>2G</i></sub>轨道<i>D.</i><sub><i>yz</i></sub>和<i>D.</i><sub><i>xz</i></sub>在A″对称元下观察到的变换。对称元素A包含其他元素<i>D.</i><sub><i>xy</i></sub>轨道。从角色表中，它显示了<i>T.</i><sub><i>2G</i></sub>在“A”下变换的轨道并不堕落，而是对称相似。因此，这表明这三个<i>T.</i><sub><i>2G</i></sub>轨道不是相同的能量水平，因此建议沿着沿着细长的弱jahn-theller效应<i>Z.</i>-axis显示在图中<a href="//www.newsama.com/journals/bca/2021/5563209/fig3/" target="_blank">3.</a>[<a href="#B9">9.</a>］.这也意味着<i>D.</i><sub><i>xy</i></sub>轨道无法与另一个轨道上的其他电子相互作用<i>T.</i><sub><i>2G</i></sub>对旋转轨道贡献朝向复合物的有效磁矩的轨道轨道<b>4.</b>[<a href="#B10">10.</a>］.</p> <p>Ru（ii）复杂<b>3.</b>被认为是一个<i>D.</i><sup><i>6.</i></sup>低自旋络合物，这是在有效磁矩为0 BM时观察到的。然而，根据a<i>D.</i><sup><i>6.</i></sup>田边sugano图，能量至少允许2<i>D-D.</i>在345 nm处用一个可观察到的电荷转移带观察到跃迁。根据我们的观察，这些复合物的转变<b>3.</b>如表所述<a href="//www.newsama.com/journals/bca/2021/5563209/tab2/" target="_blank">2GydF4y2Ba</a>在532纳米<S.。up><i>1GydF4y2Ba</i></sup><i>一种</i><sub><i>1G</i></sub>（<i>一世</i>）<i> ⟶ </i><sup>1GydF4y2Ba</sup><i>T.</i><sub><i>1G</i></sub>（<i>一世</i>）和462 nm<S.。up><i>1GydF4y2Ba</i></sup><i>一种</i><sub><i>1G</i></sub>（<i>一世</i>） <i>⟶</i><sup><i>1GydF4y2Ba</i></sup><i>T.</i><sub><i>2G</i></sub>（<i>一世</i>）.计算的摩尔消光系数也假定这些跃迁<i>D-D.</i>过渡乐队。</p> <h6 id="sec3.2.3">3.2.3。复合物的元素分析</h6> <p>通过元素分析确定了合成配合物的经验公式和纯度。元素分析数据表明，配合物已成功合成。然而，这两种配合物的分子式中都含有一些结晶水。Ru(II)配合物至少含有0.9摩尔水，而Ru(III)至少含有0.6摩尔水。元素分析实验值和计算值如表所示<a href="//www.newsama.com/journals/bca/2021/5563209/tab3/" target="_blank">3.</a>．</p> <div class="floats-partial-section partial-other-wrapper" data-section="tab3"> <div class="floats-partial-content fig-content-tab3"> <table class="table-group" id="tab3"> <tbody> <tr> <td> <table class="table"> <tbody> <tr> <td class="thead-hr" colspan="3"> <hr></td> </tr> <tr class="thead"> <td class="align_left" rowspan="2">复合分子式(根据EA数据)</T.。D.> <td class="align_center">实验</T.。D.> <td class="align_center">计算</T.。D.> </tr> <tr class="thead"> <td class="align_center">C: N</T.。D.> <td class="align_center">C: N</T.。D.> </tr> <tr> <td class="thead-hr" colspan="3"> <hr></td> </tr> <tr> <td class="align_left">[俄文<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub>]•0.9h<S.。ub>2GydF4y2Ba</sub>O.</T.。D.> <td class="align_center">56.89: 6.33: 13.59</T.。D.> <td class="align_center">56.5: 6.45: 13.98</T.。D.> </tr> <tr> <td class="align_left">[俄文<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>•0.6 h<S.。ub>2GydF4y2Ba</sub>O.</T.。D.> <td class="align_center">45.66: 3.70: 7.50</T.。D.> <td class="align_center">45.26: 3.9: 7.92</T.。D.> </tr> <tr class="table-tr"> <td colspan="3"> <hr class="tbody-hr"></td> </tr> </tbody> </table></td> </tr> <tr class="table-fn"> <td> <div> 分析数据表明，配合物中仅含有水的杂质。数据还表明，配合物的经验公式与计算数据相似，但差异很小。<br> </div></td> </tr> </tbody> </table> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">表3</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/tab3/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 复合物的实验性和计算元素分析。</D.iv> </div> </div> <h6 id="sec3.2.4">3.2.4。质谱表征</h6> <p>使用了软电离质谱技术，电喷雾电离，这是由于测试化合物的体积大而选择的。由于低能量电离，这种技术已经成功地定量了具有弱相互作用的化合物的质量。从数据中可以看出，测试化合物的实验分子离子与计算出的分子质量接近。所有化合物都在正离子模式下运行，从而得到正分子离子加合物。配体显示与一个质子形成加合物[M+H]<S.。up>+</S.。up>到它的实验肿块，而复杂<b>3.</b>显示含有两个钠离子的加合物和一个质子，对实验物质，[M + 2NA-H]<S.。up>+</S.。up>．另一方面，复杂<b>4.</b>显示加合物[m + k]<S.。up>+</S.。up>在实验物质中有一个钾离子。桌子<a href="//www.newsama.com/journals/bca/2021/5563209/tab4/" target="_blank">4.</a>显示这些数据。</p> <div class="floats-partial-section partial-other-wrapper" data-section="tab4"> <div class="floats-partial-content fig-content-tab4"> <table class="table-group" id="tab4"> <tbody> <tr> <td> <table class="table"> <tbody> <tr> <td class="thead-hr" colspan="4"> <hr></td> </tr> <tr class="thead"> <td class="align_left">化合物</T.。D.> <td class="align_center">加合物</T.。D.> <td class="align_center">实验</T.。D.> <td class="align_center">计算</T.。D.> </tr> <tr> <td class="thead-hr" colspan="4"> <hr></td> </tr> <tr> <td class="align_left">C<S.。ub>40</S.。ub>H<S.。ub>41.</S.。ub>N<S.。ub>6.</S.。ub>O.<S.。ub>2GydF4y2Ba</sub><b>（1）</b></td> <td class="align_center">[m + h]<S.。up>+</S.。up></td> <td class="align_center">637.3412</T.。D.> <td class="align_center">637.8075</T.。D.> </tr> <tr> <td class="align_left">C<S.。ub>66.</S.。ub>H<S.。ub>72.</S.。ub>N<S.。ub>14.</S.。ub>O.<S.。ub>4.</S.。ub>茹<S.。ub>2GydF4y2Ba</sub><b>（3）</b></td> <td class="align_center">[m + 2na-h]<S.。up>+</S.。up></td> <td class="align_center">1372.7879</T.。D.> <td class="align_center">1373.3612</T.。D.> </tr> <tr> <td class="align_left">C<S.。ub>41.</S.。ub>H<S.。ub>43.</S.。ub>CL.<S.。ub>6.</S.。ub>N<S.。ub>6.</S.。ub>O.<S.。ub>2GydF4y2Ba</sub>茹<S.。ub>2GydF4y2Ba</sub><b>（4）</b></td> <td class="align_center">(M + K)<S.。up>+</S.。up></td> <td class="align_center">1104.5452</T.。D.> <td class="align_center">1103.9332</T.。D.> </tr> <tr class="table-tr"> <td colspan="4"> <hr class="tbody-hr"></td> </tr> </tbody> </table></td> </tr> <tr class="table-fn"> <td> <div> 质谱数据表明化合物合成成功。所有化合物都以正离子模式运行，分子离子峰可以通过质子和金属加合物观察到。<br> </div></td> </tr> </tbody> </table> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">表4</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/tab4/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 复合物的实验性和计算质量分析。</D.iv> </div> </div> <h6 id="sec3.2.5">3.2.5。质子核磁共振表征</h6> <p>使用一维质子NMR作为表征工具，以研究与络合物的配体质子NMR上的化学位移。考虑到配体2的光谱，配体分子表明中央（-CH）之间可能存在对称性<S.。ub>2GydF4y2Ba</sub>)，表明该分子的两侧具有相似的化学环境。即使是质子核磁共振波谱数据也只显示了分子的一边的化学性质。2BUT配体有<i>帕拉</i>- 预期的苯芳香环预期显示双粘接性分裂图案，其在光谱中以6.52-6.68ppm观察到。化学转移数据显示在部分下<a href="#sec3.2">3.2</a>．2But配体从脂族链显示出八个可观察的质子。在这八个质子中，每组中的四个显示相同的化学环境，因此具有类似的分裂，这仅导致两个峰。中央的四个质子<i>SP.</i><sup><i>2GydF4y2Ba</i></sup>2但2条的碳耦合到中央脂族链内的外四个质子，导致在1.75-1.82ppm下观察到Quintet分裂图案。在直接与氧气结合的碳原子上的其他四个外质子只有两个质子邻居。因此，它们在3.82-3.84ppm处显示了多种三联体。此外，分析2But配体2-吡啶臂的分析总共四个<i>SP.</i><sup><i>3.</i></sup>每个臂的质子。这些质子显示出多种单线态，因为它们不会被任何相邻质子分开。当它们共用类似的化学环境时，芳族吡啶部分的分裂图与两个环相似。此外，集成数据还支持2BUT中存在对称性。这也是从脂族区域中的质子中显而易见的，其与每个质子相结合，与预期的四个质子相反。至于中央芳香环和来自（-CH的区域）<S.。ub>2GydF4y2Ba</sub>）在吡啶型臂到吡啶环，积分数据也显示对称性，因为这些质子仅显示为一个对称对。一个例子是中央芳环质子，其整合到一个，而整个分子中的每个种类中有两个。</p> <p>络合后，进一步施加质子NMR在复合物的表征中。然而，由于复合物的溶解度差，光谱数据不足以用于充分表征复合物。复合物光谱由抑制分析物峰的溶剂峰来支配。因此，使用其他表征技术来确定复合物的表征。化学转移数据显示在部分下<a href="#sec3.2">3.2</a>这篇论文。除配合物溶解度差外，Ru(III)配合物[Ru<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]也是paramagnetic。该顺磁性导致Ru（III）复合物的化学偏移的多重分辨率差，并且在芳族区域中比在脂族区域中更容易观察到。使用脂族区域，观察到配体在与钌络合时失去了平坦性。在4.67ppm的4.67ppm观察到自由配体的2-吡啶型臂的化学变化，并在粘合到Ru（III）后，它们转移到2.60ppm，表明平面性丧失。至于ru（ii）复杂[ru<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub>，也表现出较差的多样性，这可能是由于较差的溶解性。然而，可以观察到一些显著的化学位移，例如，二甲基甲酰胺峰在化学位移0.81-0.85 ppm时观察到。在这个复合物中，配体的平面性也消失了，从脂肪族质子中可以明显看出，与自由配体相比，脂肪族质子具有不同的化学位移。尽管如此，由于Ru(II)是抗磁性的，芳香族区域周围的化学是可检测的。</p> <h5 id="sec3.3">3.3。抗菌活性</h5> <h6 id="sec3.3.1">3.3.1。麦克风测定</h6> <p>合成的配体和相应的Ru(II/III)配合物对四种细菌的抗菌性能进行了评估:<i>S. aureus，K.肺炎</i>MRSA和MDR<i>K.肺炎</i>．在我们之前的工作中缺乏粘合剂抗菌性抗药性细菌的抗菌活性[<a href="#B6">6.</a>[是否研究了本文报道的改性的类似物复合物，以促使抗菌活性朝着先前的工作中提到的细菌。我们观察到新的类似物对革兰氏阳性和革兰氏阴性非耐药细菌具有广泛的抗菌活性。这是由表中所示的MIC数据解释<a href="//www.newsama.com/journals/bca/2021/5563209/tab5/" target="_blank">5.</a>圆盘扩散试验数据见表<a href="//www.newsama.com/journals/bca/2021/5563209/tab6/" target="_blank">6.</a>．MIC测定结果表明，对革兰氏阳性菌的抑菌活性高于革兰氏阴性菌。正如在我们之前的工作中，我们认为这可能是由于革兰氏阴性细菌细胞膜与革兰氏阳性细菌细胞膜的差异，前者使用细胞膜上的孔蛋白或外排泵来摄取和排泄。根据异物的大小，这些孔蛋白可能会影响进入细菌细胞的物质，在这种情况下，我们怀疑化合物受到了这种物质的影响[<a href="#B6">6.</a>那<a href="#B11">11.</a>那<a href="#B14">14.</a>］.所有化合物均为所有非耐药细菌的活性。然而，复合物的活性优于配体。这是因为该配合物在低浓度下具有更好的活性，除了配体2，具有出色的有效活性<i>金黄色葡萄球菌。</i>在[中的复合物的重组之后<a href="#B6">6.</a>]，发现新类似物的抗菌活性有显著差异。与[中的单核配合物相比，本研究中的配合物具有双核性质。<a href="#B6">6.</a>，如图所示<a href="//www.newsama.com/journals/bca/2021/5563209/fig4/" target="_blank">4.</a>．虽然与单核同类相比，尚未对核心复合物进行广泛进行了广泛的研究，但它们呈现了最近揭幕的有趣化学[<a href="#B12">12.</a>］.双核金属配合物的优越性以前已经在潜在的抗癌和抗菌药物的背景下进行了探索[<a href="#B13">13.</a>］.在目前的研究中，复合物的双核性质可能有利于它们与生物分子的相互作用，从而损害细菌细胞。这也被怀疑是由于双核配合物在活性上的能力增加了一倍。</p> <div class="floats-partial-section partial-other-wrapper" data-section="tab5"> <div class="floats-partial-content fig-content-tab5"> <table class="table-group" id="tab5"> <tbody> <tr> <td> <table class="table"> <tbody> <tr> <td class="thead-hr" colspan="6"> <hr></td> </tr> <tr class="thead"> <td class="align_left">微生物</T.。D.> <td class="align_center">李[俄文(Cl)<S.。ub>4.</S.。ub>(DPA)<b>（2）</b>（mg / ml）</T.。D.> <td class="align_center">[俄文<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub>]<b>（3）</b>（mg / ml）</T.。D.> <td class="align_center">[俄文<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]<b>（4）</b>（mg / ml）</T.。D.> <td class="align_center">2<b>（1）</b>（mg / ml）</T.。D.> <td class="align_center">DPA（mg / ml）</T.。D.> </tr> <tr> <td class="thead-hr" colspan="6"> <hr></td> </tr> <tr> <td class="align_left"><i>S.金黄色葡萄球菌</i></td> <td class="align_center">5.00</T.。D.> <td class="align_center">1.88</T.。D.> <td class="align_center">7.50</T.。D.> <td class="align_center">0.03</T.。D.> <td class="align_center">15.00</T.。D.> </tr> <tr> <td class="align_left">MRSA.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">2.50</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">15.00</T.。D.> </tr> <tr> <td class="align_left"><i>K.肺炎</i></td> <td class="align_center">10.00</T.。D.> <td class="align_center">7.50</T.。D.> <td class="align_center">10.00</T.。D.> <td class="align_center">20.00</T.。D.> <td class="align_center">1.88</T.。D.> </tr> <tr> <td class="align_left">耐多药<i>K.肺炎</i></td> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> </tr> <tr class="table-tr"> <td colspan="6"> <hr class="tbody-hr"></td> </tr> </tbody> </table></td> </tr> <tr class="table-fn"> <td> <div> 注意:0:未激活。对化合物的MIC值进行了测定<i>S. aureus，K.肺炎</i>MRSA和MDR<i>K.肺炎</i>．测定揭示了所有复合物，以显示所有非耐药细菌的活动。只有[ru.<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub>配合物与配体在MRSA上表现出活性。然而，没有化合物表明对耐多药有活性<i>肺炎。</i>此后，使用盘扩散测定来测定复合物的细菌生长抑制。<br> </div></td> </tr> </tbody> </table> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">表5</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/tab5/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 所有活性化合物的MIC。</D.iv> </div> </div> <div class="floats-partial-section partial-other-wrapper" data-section="tab6"> <div class="floats-partial-content fig-content-tab6"> <table class="table-group" id="tab6"> <tbody> <tr> <td> <table class="table"> <tbody> <tr> <td class="thead-hr" colspan="6"> <hr></td> </tr> <tr class="thead"> <td class="align_left">微生物</T.。D.> <td class="align_center">李[俄文(Cl)<S.。ub>4.</S.。ub>(DPA)<b>（2）</b>（毫米）</T.。D.> <td class="align_center">[俄文<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub>]<b>（3）</b>（毫米）</T.。D.> <td class="align_center">[俄文<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]<b>（4）</b>（毫米）</T.。D.> <td class="align_center">2<b>（1）</b>（毫米）</T.。D.> <td class="align_center">DPA(毫米)</T.。D.> </tr> <tr> <td class="thead-hr" colspan="6"> <hr></td> </tr> <tr> <td class="align_left"><i>S.金黄色葡萄球菌</i></td> <td class="align_center">9.</T.。D.> <td class="align_center">8.</T.。D.> <td class="align_center">8.</T.。D.> <td class="align_center">8.</T.。D.> <td class="align_center">9.</T.。D.> </tr> <tr> <td class="align_left">MRSA.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">8.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">7.</T.。D.> </tr> <tr> <td class="align_left"><i>K.肺炎</i></td> <td class="align_center">7.</T.。D.> <td class="align_center">7.</T.。D.> <td class="align_center">7.</T.。D.> <td class="align_center">7.</T.。D.> <td class="align_center">8.</T.。D.> </tr> <tr> <td class="align_left">耐多药<i>K.肺炎</i></td> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> <td class="align_center">0.</T.。D.> </tr> <tr class="table-tr"> <td colspan="6"> <hr class="tbody-hr"></td> </tr> </tbody> </table></td> </tr> <tr class="table-fn"> <td> <div> 用圆盘扩散法测定配体和配合物对三种细菌的活性<i>S. aureus，K.肺炎</i>MRSA和MDR<i>K.肺炎</i>．这是在他们的MIC值被测定后进行的，以评估化合物抑制细菌生长的程度。就像在MIC试验中一样，所有化合物都表明对所有非耐药细菌有活性<S.。ub>2GydF4y2Ba</sub>（2BUT）（DMF）<S.。ub>2GydF4y2Ba</sub>(DPA)] (BH<S.。ub>4.</S.。ub>）<S.。ub>4.</S.。ub>]，[ru<S.。ub>2GydF4y2Ba</sub>(2) (Cl)<S.。ub>6.</S.。ub>]、2BUT和DPA对MRSA有活性。未见化合物对MDR有活性<i>肺炎。</i> <br> </div></td> </tr> </tbody> </table> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">表6</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/tab6/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 抑制所有化合物的区域。</D.iv> </div> </div> <div class="floats-partial-section partial-carousel-wrapper" data-section="fig4"> <div class="floats-partial-content fig-content-fig4"> <div class="partial-carousel--single-image"> <img alt="" name="5563209.fig.004" src="https://static-01.hindawi.com/articles/bca/volume-2021/5563209/figures/5563209.fig.004.svgz"> <br> <strong></strong> </div> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">图4.</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/fig4/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 我们以前工作中报道的单核钌(II/III)配合物[<a href="#B6">6.</a>］.与这些类似物不同的是，配合物(<b>3.</b>和<b>4.</b>在本文中，通过四个成员脂族链桥接。单核复合物中的链不连接到任何内容。</D.iv> </div> </div> <p>中性的复杂<b>4.</b>表明活动朝向<i>S.金黄色葡萄球菌</i>和<i>K.肺炎</i>，这就是类似物的情况<b>5.</b>从我们以前的工作。金核综合体<b>4.</b>与复杂相比，表现出更好的活动<b>5.</b>麦克风的地方<i>S.金黄色葡萄球菌</i>与10.00mg / ml相比为7.50mg / ml。但是，麦克风<i>K.肺炎</i>两种复合物为10.00 mg / ml。收费复合体<b>3.</b>在这项工作中显示出比复合物更好的活性<b>6.</b>来自我们之前的文章。然而,对于<i>S.金黄色葡萄球菌</i>，从类似物中观察到相似的活性。双核复合物表现出更好的活性<i>K.肺炎</i>而不是单一核类似物。有趣的是,复杂的<b>3.</b>对MRSA有一些活动，而不是其模拟复杂<b>6.</b>．配体DPA对MRSA也有活性。复杂的<b>3.</b>对MRSA具有杀菌活性，说明复合物能够杀死细菌，而DPA配体对MRSA具有抑菌活性，说明配体能够阻止细菌的繁殖。此外，数据表明，配合物的主要配体<b>3.</b>2，但仍然没有对MRSA的任何活动展示。至于观察到2条的活动<i>S.金黄色葡萄球菌</i>在MRSA上没有任何活性，推断出该化合物对这两个细菌具有类似的作用模式。怀疑这些改性的正核复合物由于其结构特征而具有更好的活性。在这些配合物中发现的配体具有平面芳环（吡啶基部分和芳族醚 - 胺中央环），其可能诱导与生物分子物理结合的更好的亲和力[<a href="#B15">15.</a>］.此外，复合物的核特性<b>3.</b>和<b>4.</b>可能极大地影响了它们的抗菌性能。这是因为低极性脂肪链桥的引入可能增加了配体的亲脂性，并最终增加了整个复合物的亲脂性[<a href="#B16">16.</a>］.在这种情况下，由于这种现象，可以更好地相互作用和更容易进入细菌细胞。不幸的是，MDR上的所有化合物仍然没有任何活动<i>K.肺炎</i>．</p> <h6 id="sec3.3.2">3.3.2。盘扩散测定</h6> <p>在确定化合物的最低生物活性浓度之后，使用盘扩散来探测细菌菌落生长受到化合物的影响程度。就像麦克风一样，甚至在以前的工作的模拟复合物中[<a href="#B6">6.</a>]，在革兰氏阳性上观察到综合体的高活性<i>S.金黄色葡萄球菌</i>而不是克消极<i>肺炎。</i>MDR未见活性<i>K.肺炎</i>来自所有化合物。但是，就MRSA而言，复杂仍有一些活动<b>3.</b>和DPA配体，正如MIC数据所示。此外，有趣的是复合物没有明显的活性<b>3.</b>主要的配体2，甚至是它的模拟复杂<b>6.</b>从以前的工作。在这种情况下，我们怀疑，在将2BUT与钌配合后，2BUT配体被激活或复杂了<b>2GydF4y2Ba</b>在与2个单独的配体协调，与之前的研究一致的情况下，没有2But配体的启用[<a href="#B17">17.</a>-<a href="#B20">20.</a>］.至于类似物的配合物<b>6.</b>，我们怀疑大桥的引进复杂<b>3.</b>可能诱导了该复合物对MRSA的生物活性。表中列出了所有化合物的抑制带<a href="//www.newsama.com/journals/bca/2021/5563209/tab6/" target="_blank">6.</a>．值得注意的是，2但是有一些活动<i>S.金黄色葡萄球菌，</i>提示其作用方式可能与MRSA相同，这可能解释了该配体对MRSA缺乏活性。</p> <h6 id="sec3.3.3">3.3.3。DNA螯合试验</h6> <p>该测定用于评估化合物的DNA切割性质。所有有活动的化合物<i>S.金黄色葡萄球菌</i>并测试了MRSA，看它们是否能将DNA切割成不同的形式。所用的DNA是刚从<i>金黄色葡萄球菌。</i>数字<a href="//www.newsama.com/journals/bca/2021/5563209/fig5/" target="_blank">5.</a>显示这些化合物与DNA的相互作用。</p> <div class="floats-partial-section partial-carousel-wrapper" data-section="fig5"> <div class="floats-partial-content fig-content-fig5"> <div class="partial-carousel--single-image"> <img alt="" name="5563209.fig.005" src="https://static-01.hindawi.com/articles/bca/volume-2021/5563209/figures/5563209.fig.005.svgz"> <br> <strong></strong> </div> </div> <div class="floats-partial-footer"> <div class="floats-partial-caption"> <span class="caption-text">图5.</S.。pan> <a aria-label="full view" class="caption-partial-url" href="//www.newsama.com/journals/bca/2021/5563209/fig5/" title="" target="_blank"></a> </div> <div class="floats-partial-caption-text"> 0.8％琼脂糖凝胶的DNA切割分析。Lane L，1 KB梯子;C，控制DNA;1，复杂<b>2GydF4y2Ba</b>；3，但;4，DPA;6，复杂<b>4.</b>；8、复杂<b>3.</b>．凝胶表明，所有的配合物都具有DNA核酸酶活性，而配体既不裂解也不核酸酶。</D.iv> </div> </div> <p>L列为DNA标记，C列为未处理的对照DNA。即使配体在其他检测中显示良好的活性，在本检测中配体没有显示任何DNA分裂。2BUT和DPA配体位于第3和第4道。这些发现表明，2BUT和DPA配体具有不同的作用模式，与配合物相反。我们的结论是，金属中心的引入可能导致更多的作用模式或使配体失效，因此在凝胶上的观察。在1、6、8车道上的综合体显示了有趣的结果。正如我们之前的研究所观察到的[<a href="#B6">6.</a>[这些复合物还对DNA有强效活动。我们注意到复合物完全变性DNA。我们建议并仍然表明强烈的活动是由于复合物对DNA的强烈亲和力。假设不稳定的配体（氯丙醇和二甲基甲酰胺），平面杂环萘吡啶配体和钌金属中心是观察到的DNA变性活性的贡献因子[<a href="#B6">6.</a>那<a href="#B21">21.</a>-<a href="#B23">23.</a>］.这些数据表明DNA核酸酶/变性可能是复合物的作用方式，特别是它们显示出杀菌浓度。</p> <h4 id="conclusions">4。结论</h4> <p>通过FTIR、UV/Vis、元素分析和磁化率等手段对其进行了光谱表征。配合物的紫外/可见数据显示了与配合物相关的能量可观测跃迁。数据表明，配合物采用低自旋<i>D.</i><sup><i>5.</i></sup>和<i>D.</i><sup><i>6.</i></sup>ru（II / III）分别。磁性敏感性研究还表明Ru（II / III）复合物的相同旋转。FTIR在近IR中显示所有复合体的重要功能群。一些金属的减少对配体振动带的降低，这表明金属与配体配制。质谱和元素分析显示化合物成功合成。质子NMR显示配体成功合成。然而，复杂的质子NMR挑战分配，但确实证明它们是形成的。生物学测定表明复合物和配体确实是生物活性的。盘扩散测定表明，朝向革兰氏阳性细菌的活性更多。我们还观察到，对抗非耐药菌株的活动更多<i>S.金黄色葡萄球菌</i>和<i>肺炎。</i>来自复杂的MRSA有一些显着的活动<b>3.</b>而不是单金属化合物<b>6.</b>在我们之前的工作中。DPA配体对MRSA也有一定的活性。然而，所有配合物对MDR均无活性<i>K.肺炎</i>就像之前的文章一样<i>．</i>DNA凝胶电泳表明，复合物具有效率的DNA化学核酸酶/变性;然后建议是复合物的作用方式或可以从复合物中观察到的作用方式之一。此外，观察到我们之前的工作中这些复合物的类似物的修饰确实为复合体表现出一些新的活动。</p> <h4 id="data-availability">数据可用性</h4> <p>用于支持本研究结果的特征和生物测定数据包括在表格和材料和方法下概述的文章中。然而，有一个补充材料数据表，包括来自图的化合物的光谱数据<a href="#supplementary-material-1">S1</a>图<a href="#supplementary-material-1">向</a>．</p> <h4 id="conflicts-of-interest">的利益冲突</h4> <p>作者声明他们没有利益冲突。</p> <h4 id="acknowledgments">致谢</h4> <p>这项工作受到博茨瓦纳国际科技大学的财务支持，研发博茨瓦纳大学研究与开发。</p> <h4 id="supplementary-materials">补充材料</h4> <p>图S1：2单形的质子NMR谱<b>1GydF4y2Ba</b>．图S2: 2BUT的FTIR谱图<b>1GydF4y2Ba</b>．图S3: 2BUT的hesi - ms谱图<b>1GydF4y2Ba</b>．图S4：复合物的FTIR光谱<b>3.</b>．图S5:配合物的紫外/可见光谱<b>3.</b>．图S6:配合物的HRMS谱<b>3.</b>．图S7：HRMS放大频谱复合体<b>3.</b>分子离子<i>m</i>/<i>Z.</i>1372.7879。图S8：ru（ii）复合物的质子NMR<b>3.</b>．图S9：复合物的FTIR光谱<b>4.</b>．图S10：复合物的UV / Vis谱<b>4.</b>．图S11：复杂的HRMS谱<b>4.</b>．图S12:复合材料的HRMS放大谱<b>4.</b>分子离子<i>m</i>/<i>Z.</i>1104.5452。图S13: Ru(III)配合物的质子NMR谱图<b>4.</b>（）．<i id="supp-1">（<a href="//www.newsama.com/downloads/journals/bca/2021/5563209.f1.docx" target="_blank">补充材料</a>）</i></p> </div> <div class="xml-content"> <h4 class="references" id="references">参考文献</h4> <ol> <li id="B1">H. 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height="24"><span class="sc-dRFtgE jrsDZP">订单印刷副本</S.。pan><span class="sc-gkFcWv gWTCXQ">订单</S.。pan></span><span class="sc-htoDjs kNoiZu sc-gbOuXE jGPvPL right__icon icon-colored _32KP5uexH-Bgs7Kj8Gk1Tz icon-themeable" title="" font-size="16"></span></a> <div class="sc-hBbWxd kdRRST"> <div class="sc-dyGzUR cHatnS"> <div> 意见<S.。pan>188</S.。pan> </div> <div> 下载<S.。pan>181</S.。pan> </div> </div> <div> <div class="sc-drKuOJ kxdGAZ"> <span class="__dimensions_badge_embed__" data-doi="10.1155/2021/5563209" data-style="small_circle"></span>引用</D.iv> </div> </div> <nav class="sc-bRBYWo fXBKFa sc-hUfwpO jHPgUP" id="toolbar__iconNav"> <h3 class="sc-Rmtcm hNPrIr">分享帖子</h3> <ul class="sc-hzDkRC bnbfTS"> <li class="iconBorder"><a class="sc-htpNat bUhGXt link" href="https://twitter.com/share?url=https://doi.org/10.1155/2021/5563209&via=Hindawi" aria-label="Sharing on Twitter" rel="noopener noreferrer" target="_blank"><img alt="" class="sc-EHOje jOLhQl socialTwitter" title="" role="presentation" 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