A new consumable-free three-dimensional comprehensive gas chromatography (GC 3 -FID) was designed with modulators already known to comprehensive two-dimensional gas chromatography (GC × GC) users to showcase the opportunity of implementing GC 3 systems. A hybrid interface composed of a thermal desorption modulator and a fast forward-flush differential flow modulator was used with modulation periods of 6 s and 300 ms, respectively. The determination of allergens in perfumes associated with chemometric tools, namely, parallel factor analysis (PARAFAC) was accomplished to demonstrate the validity of the proposed system. Evaluated allergens included already regulated ones in Brazil and Europe, such as geraniol and menthol, as well as potential allergens recommended in a 2011 opinion reported by the European Scientific Committee on Consumer Safety. Limits of detection were found to be suitable for current regulations, under 0.001% or 10 µL L −1 for leave-on products. Considerations on the required acquisition rates, the limitations imposed by current modulator technology, the modulation periods used, and how they affect all three dimensions are thoroughly discussed. A GC 3 coupled with mass spectrometry (GC 3 -MS) approach is also covered, as well as a comparison of the signal resolution/deconvolution with the increase of data dimensionality. Lastly, the union of GC 3 and chemometric tools allowed for a solution that may be used for both qualitative and quantitative analyses.

中文翻译：

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用于测定香水中过敏原的无耗材综合三维气相色谱和 PARAFAC

一种新型的无消耗品三维综合气相色谱 (GC 3 -FID) 设计有综合二维气相色谱 (GC × GC) 用户已知的调制器，以展示实施 GC 3 系统的机会。混合界面由热解吸调节器和快速前冲差流调节器组成，调制周期分别为 6 秒和 300 毫秒。完成了与化学计量学工具相关的香水中过敏原的测定，即平行因子分析 (PARAFAC)，以证明所提出系统的有效性。评估的过敏原包括巴西和欧洲已经受管制的过敏原，如香叶醇和薄荷醇，以及欧洲消费者安全科学委员会 2011 年报告中推荐的潜在过敏原。发现检测限适用于现行法规，对于免洗产品，低于 0.001% 或 10 µL L -1。对所需的采集速率、当前调制器技术所施加的限制、所使用的调制周期以及它们如何影响所有三个维度的考虑因素进行了彻底的讨论。还涵盖了 GC 3 与质谱联用 (GC 3 -MS) 方法，以及信号分辨率/解卷积与数据维数增加的比较。最后，GC 3 和化学计量学工具的结合提供了可用于定性和定量分析的解决方案。详细讨论了当前调制器技术所施加的限制、所使用的调制周期以及它们如何影响所有三个维度。还涵盖了 GC 3 与质谱联用 (GC 3 -MS) 方法，以及信号分辨率/解卷积与数据维数增加的比较。最后，GC 3 和化学计量学工具的结合提供了可用于定性和定量分析的解决方案。详细讨论了当前调制器技术所施加的限制、所使用的调制周期以及它们如何影响所有三个维度。还涵盖了 GC 3 与质谱联用 (GC 3 -MS) 方法，以及信号分辨率/解卷积与数据维数增加的比较。最后，GC 3 和化学计量工具的结合提供了可用于定性和定量分析的解决方案。