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1H NMR spectroscopy coupled with multivariate analysis was applied to investigate Italian cherry tomatoes metabolic profile

机译:1H NMR光谱与多变量分析相结合,探讨了意大利樱桃番茄代谢概况

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Abstract >Nuclear magnetic resonance (NMR) spectroscopy, in combination with different chemometric methods, was widely used for metabolomic profiling in the geographical determination of food origin. In the present study, spectra data of cherry tomatoes, collected from Pachino (Sicily) and Sabaudia (Latium), were analyzed by principal component analysis (PCA), k nearest neighbors (kNN), and partial least‐squares discriminant analysis (PLS‐DA) in order to discriminate the samples according to their geographical provenance. > The PCA analysis of 1 H NMR spectra of Sabaudia cherry tomatoes showed significant differences linked to the production year: phospholipids had higher levels in 2004, but less amounts of polyunsaturated acids and lycopene were observed with respect to the year 2005. Despite the annual differences in 1 H NMR metabolic profile of Sabaudia cherry tomatoes, using unsupervised (PCA) and supervised (PLS‐DA, kNN) approaches, the geographical origin differentiation was obtained. In fact, the kNN algorithm correctly classified approximately 84% to 87% of Pachino samples and 77% of Sabaudia ones with recognition ability varied from 82% to 84.4% and prediction ability (CV) of 76.2% and 94.7%. The PC1 component, with 53% of total variance, greatly separated Pachino cherry tomatoes from Sabaudia ones and PLS‐DA model showed a good degree of separation with recognition ability of 100% and prediction ability (CV) of 93% to 100%. >PCA and PLS‐DA combined analysis highlighted the most prominent spectral areas that well separated the two groups of samples. So, phytosterols were found discriminating compounds according to PCA and PLS‐DA and differences in aroma components were observed mainly in PCA analysis. </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> >核磁共振(NMR)光谱,与不同的化学计量方法组合,广泛用于地理原产地的地理测定中的代谢组分。在本研究中,通过主成分分析(PCA),K最近邻居(KNN)和局部最小二乘判别分析(PLS- DA)为了根据其地理来源区分样品。</ p> > PCA分析 1 </ sup> Sabaudia樱桃西红柿的H NMR Spectra表现出与生产年份相关的显着差异:磷脂于2004年的水平较高,但在2005年期间观察到较少量的多不饱和酸和番茄红素。尽管存在年度差异 1 </ sup> H NMR代谢概况Sabaudia Cherry Tomatoes,使用无人监督(PCA)和监督(PLS-DA,KNN)方法,获得了地理原因分化。事实上,KNN算法将大约84%的Pachino样品正确分类为84%,识别能力的77%的Sabaudia患者的识别能力不同,而且预测能力(CV)为76.2%和94.7%。 PC1组件,总方差的53%,来自Sabaudia的Pachino樱桃西红柿和PLS-DA模型显示出良好的分离程度,识别能力为100%和预测能力(CV)为93%至100%。 </ p> <P> PCA和PLS-DA组合分析突出显示最突出的频谱区域,其良好分离两组样本。因此,发现植物甾醇被发现根据PCA和PLS-DA的鉴别化合物,并且主要在PCA分析中观察到芳香成分的差异。</ 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-33917/'>《Journal of Chemometrics》</a> <b style="margin: 0 2px;">|</b><span>2020年第1期</span><b style="margin: 0 2px;">|</b><span>共11页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> </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"> </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/159.html" title="化学">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=1H NMR profiling&option=203" rel="nofollow">1H NMR profiling;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=cherry tomatoes geographical origin&option=203" rel="nofollow">cherry tomatoes geographical origin;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=kNN algorithm&option=203" rel="nofollow">kNN algorithm;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=PCA and PLS‐DA analysis&option=203" rel="nofollow">PCA and PLS‐DA analysis;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=tomato lipophilic metabolites&option=203" rel="nofollow">tomato lipophilic metabolites;</a> </p> <div class="translation"> 机译:1H NMR分析;樱桃西红柿地理起源;KNN算法;PCA和PLS-DA分析;番茄亲脂性代谢物; 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tuijian_authcolor"> . 李爱平</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=李震宇&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,李震宇</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=韩晓静&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,韩晓静</a> <span> <a href="/conference-cn-5916/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 2013年代谢组学与中医药现代研究学术论坛 </a> <span> <span> . 2013</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/020315863194.html">1H NMR光谱法测定全血代谢组学在甲状腺乳头状癌诊断中的应用</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=孙志刚&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 孙志刚</a> <span> . 2020</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06130416916179.html">METHOD FOR ANALYSIS OF VACCIN USING MULTIVARIATE ANALYSIS ON 1H-NMR SPECTROSCOPY OF OLIVE FLOUNDER PARALICHTHYS OLIVACEUS SERUM</a> <b>[P]</b> . <span> 外国专利: <!-- 韩国专利: --> KR20130137766A </span> <span> . 2013-12-18</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:牛油菌卵清血清1H-NMR光谱的多元分析方法 </span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06130409726299.html">Methods for quantitative analysis of metabolic mixtures by 2D <Sup>13</Sup>C-constant-time TOCSY NMR spectroscopy</a> <b>[P]</b> . <span> 外国专利: <!-- 美国专利: --> US9594880B2 </span> <span> . 2017-03-14</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:二维<Sup> 13 </ Sup> C恒定时间TOCSY NMR光谱定量分析代谢混合物的方法 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