Effect of Electrode Geometry on the Classification Performance of Rapid Evaporative Ionization Mass Spectrometric (REIMS) Bacterial Identification.
Effect of Electrode Geometry on the Classification Performance of Rapid Evaporative Ionization Mass Spectrometric (REIMS) Bacterial Identification.
复制标题
电极几何形状对快速蒸发电离质谱（REIMS）细菌鉴定的分类性能的影响。
DOI：
10.1007/s13361-017-1818-5
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发表时间：
2018-01
影响因子：
3.2
通讯作者：
Takats Z
中科院分区：
文献类型：
--
作者：
Bodai Z;Cameron S;Bolt F;Simon D;Schaffer R;Karancsi T;Balog J;Rickards T;Burke A;Hardiman K;Abda J;Rebec M;Takats Z
最近开发的自动化、高通量单极 REIMS 平台适用于临床重要微生物的鉴定。尽管已经与之前报道的双极镊子方法相当，但作为系统核心的单极电极几何形状的优化具有最大的进一步改进空间。为此，对尖头和圆形电极进行了优化，以最大限度地提高物种级分类的准确性。通过使用尖头电极优化样品接触点和管入口之间的距离，与原始 4 mm 距离电极相比，负离子检测模式下的总体交叉验证精度从 77% 提高到 93%，正离子检测模式下从 33% 提高到 63%。作为替代几何形状，开发了圆管形电极。这些的几何优化包括孔的尺寸、数量和位置，这也是防止由于真空形成而导致板拾取的必要条件。附加功能，即金属“X”形插入物和中间的销钉，可以增加与微生物量的接触面积，从而最大限度地提高气溶胶的产生。优化后，交叉验证分数显示负离子检测模式的分类准确度从 77% 提高到 93%，正离子检测模式从 33% 提高到 91%。还建立了监督模型，在排除 20% 交叉验证后，负离子检测模式的总体分类准确率为 98.5%，正离子检测模式的总体分类准确率为 99%。这表明新一代单极 REIMS 电极可以在两种极性检测模式下显着提高物种水平识别精度。图解摘要 本文的在线版本 (10.1007/s13361-017-1818-5) 包含补充材料，可供授权用户使用。
The recently developed automated, high-throughput monopolar REIMS platform is suited for the identification of clinically important microorganisms. Although already comparable to the previously reported bipolar forceps method, optimization of the geometry of monopolar electrodes, at the heart of the system, holds the most scope for further improvements to be made. For this, sharp tip and round shaped electrodes were optimized to maximize species-level classification accuracy. Following optimization of the distance between the sample contact point and tube inlet with the sharp tip electrodes, the overall cross-validation accuracy improved from 77% to 93% in negative and from 33% to 63% in positive ion detection modes, compared with the original 4 mm distance electrode. As an alternative geometry, round tube shaped electrodes were developed. Geometry optimization of these included hole size, number, and position, which were also required to prevent plate pick-up due to vacuum formation. Additional features, namely a metal “X”-shaped insert and a pin in the middle were included to increase the contact surface with a microbial biomass to maximize aerosol production. Following optimization, cross-validation scores showed improvement in classification accuracy from 77% to 93% in negative and from 33% to 91% in positive ion detection modes. Supervised models were also built, and after the leave 20% out cross-validation, the overall classification accuracy was 98.5% in negative and 99% in positive ion detection modes. This suggests that the new generation of monopolar REIMS electrodes could provide substantially improved species level identification accuracies in both polarity detection modes. Graphical abstract The online version of this article (10.1007/s13361-017-1818-5) contains supplementary material, which is available to authorized users.
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快速蒸发电离质谱法（REIMS）从念珠菌属内的培养物种鉴定提供了准确的直接直接。
影响因子：
4.6
作者：
Cameron SJ;Bolt F;Perdones-Montero A;Rickards T;Hardiman K;Abdolrasouli A;Burke A;Bodai Z;Karancsi T;Simon D;Schaffer R;Rebec M;Balog J;Takáts Z
通讯作者：
Takáts Z
影响因子：
4.9
作者：
Mutters NT;Hodiamont CJ;de Jong MD;Overmeijer HP;van den Boogaard M;Visser CE
通讯作者：
Visser CE
DOI：
10.1111/j.1469-1809.1938.tb02189.x
发表时间：
1938-08-01
期刊：
ANNALS OF EUGENICS
影响因子：
--
作者：
Fisher, RA
通讯作者：
Fisher, RA
影响因子：
6.1
作者：
Balog, Julia;Perenyi, Dora;Takats, Zoltan
通讯作者：
Takats, Zoltan
影响因子：
17.1
作者：
Balog, Julia;Sasi-Szabo, Laszlo;Takats, Zoltan
通讯作者：
Takats, Zoltan