Adam Thomas, Baker Richard R, Zimmermann Ralf
Analytical Chemistry, Institute of Physics, University of Augsburg, 86159 Augsburg, Germany.
J Agric Food Chem. 2007 Mar 21;55(6):2055-61. doi: 10.1021/jf062360x. Epub 2007 Feb 27.
Soft single photon ionization-time-of-flight mass spectrometry (SPI-TOFMS) and principal component analysis (PCA) were applied for the characterization and discrimination of the chemical patterns of all individual cigarette puffs from the 2R4F University of Kentucky research reference cigarette. The SPI-TOFMS was connected to a smoking machine, and 10 cigarettes were smoked under defined smoking conditions. A total of 41 detected mass signals could be clearly assigned to smoke constituents (e.g., unsaturated hydrocarbons, aromatic species, sulfurous compounds, and nitrogen-containing substances). For further analysis, the on-line recorded mass signals were added up for each cigarette puff resulting in a single summed mass spectrum for each puff. The so-achieved puff-by-puff resolved yields were additionally normalized by the corresponding total ion signal, which eliminated the influences of varying amounts of burnt tobacco. These values were incorporated into a PCA to find differences and similarities in the chemical patterns of the individual cigarette puffs. In addition, absolute (without normalization) and normalized puff resolved yields were used to clarify occurring trends. Thereby, it was shown that the chemical pattern of the first cigarette puff was very unique, whereby extraordinary high yields of unsaturated hydrocarbons are mainly responsible for this. Depending on the smoking procedure, the chemical pattern of the second puff can also be separated from the first and the third puff. In this case, nitrogen-containing substances play an important role. Puffs three to eight show only small but observable differences. These changes are greater influenced by oxygen-containing and sulfurous smoke constituents. The findings reveal that the overall chemical patterns of machine-smoked cigarette puffs vary quite a lot during the smoking process. This lets us assume that the burden of hazardous compounds for the human smoker also differs from puff to puff.
软单光子电离飞行时间质谱法（SPI-TOFMS）和主成分分析（PCA）被用于表征和区分肯塔基大学2R4F研究参考卷烟中各个烟 puff 的化学模式。SPI-TOFMS 连接到一台吸烟机上，并在规定的吸烟条件下抽吸了10支香烟。总共41个检测到的质量信号可以明确地归属于烟雾成分（例如不饱和烃、芳香族物质、含硫化合物和含氮物质）。为了进一步分析，将在线记录的质量信号对每一个烟 puff 进行累加，从而得到每个 puff 的单个累加质谱图。通过相应的总离子信号对如此获得的逐 puff 分辨产率进行额外归一化，这消除了不同量燃烧烟草的影响。这些值被纳入主成分分析中，以找出各个烟 puff 化学模式中的差异和相似之处。此外，还使用了绝对（未归一化）和归一化的 puff 分辨产率来阐明出现的趋势。由此表明，第一个烟 puff 的化学模式非常独特，不饱和烃的极高产率是主要原因。根据吸烟程序，第二个 puff 的化学模式也可以与第一个和第三个 puff 区分开来。在这种情况下，含氮物质起着重要作用。第三到第八个 puff 仅显示出微小但可观察到的差异。这些变化受含氧和含硫烟雾成分的影响更大。研究结果表明，机器抽吸卷烟 puff 的整体化学模式在吸烟过程中变化很大。这使我们假设，对于吸烟者来说，有害化合物的负担在不同 puff 之间也有所不同。
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