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主流卷烟抽吸中尼古丁的动力学建模

Kinetic modeling of nicotine in mainstream cigarette smoking.

作者信息

Kibet Joshua, Kurgat Caren, Limo Samuel, Rono Nicholas, Bosire Josephate

机构信息

Department of Chemistry, Egerton University, P.O Box 536, Egerton, 20115 Kenya.

Department of Physics, University of Eldoret, P.O Box 1125, Eldoret, 30100 Kenya.

出版信息

Chem Cent J. 2016 Oct 12;10:60. doi: 10.1186/s13065-016-0206-8. eCollection 2016.

Abstract

BACKGROUND

The attempt to understand the kinetic behavior of nicotine in tobacco will provide a basis for unraveling its energetics in tobacco burning and the formation of free radicals considered harmful to the cigarette smoking community. To the best of our knowledge, the high temperature destruction kinetic characteristics of nicotine have not been investigated before; hence this study is necessary especially at a time addiction science and tobacco research in general is gaining intense attention.

METHODS

The pyrolysis of tobacco under conditions simulating cigarette smoking in the temperature region 200-700 °C has been investigated for the evolution of nicotine and pyridine from two commercial cigarettes coded ES1 and SM1 using gas chromatography hyphenated to a mass selective detector (MSD). Moreover, a kinetic model on the thermal destruction of nicotine within a temperature window of 673 and 973 K is proposed using pseudo-first order reaction kinetics. A reaction time of 2.0 s was employed in line with the average puff time in cigarette smoking. Nonetheless, various reaction times were considered for the formation kinetics of nicotine.

RESULTS

GC-MS results showed the amount of nicotine evolved decreased with increase in the puff time. This observation was remarkably consistent with UV-Vis data reported in this investigation. Generally, the temperature dependent rate constants for the destruction of nicotine were found to be [Formula: see text] s and [Formula: see text] s for ES1 and SM1 cigarettes respectively. In addition, the amount of nicotine evolved by ES1 cigarette was ~10 times more than the amount of nicotine released by SM1 cigarette.

CONCLUSION

The suggested mechanistic model for the formation of pyridine from the thermal degradation of nicotine in tobacco has been found to be agreement with the kinetic model proposed in this investigation. Consequently, the concentration of radical intermediates of tobacco smoke such as pyridinyl radical can be determined indirectly from a set of integrated rate laws. This study has also shown that different cigarettes can yield varying amounts of nicotine and pyridine depending on the type of cigarette primarily because of potential different growing conditions and additives introduced during tobacco processing. The activation energy of nicotine articulated in this work is consistent with that reported in literature.Graphical abstractThe anatomy of tobacco cigarette and the major chemistry involved during combustion (pyrolysis, GC-MS analysis, and kinetic modeling).

摘要

背景

了解尼古丁在烟草中的动力学行为,将为揭示其在烟草燃烧中的能量学以及对吸烟群体有害的自由基形成提供依据。据我们所知,此前尚未对尼古丁的高温破坏动力学特性进行过研究;因此,这项研究很有必要,尤其是在成瘾科学和烟草研究总体上受到高度关注的当下。

方法

利用气相色谱与质量选择检测器(MSD)联用,研究了在200 - 700°C温度范围内模拟吸烟条件下烟草的热解过程中,两种商业香烟ES1和SM1中尼古丁和吡啶的释放情况。此外,采用伪一级反应动力学,提出了在673至973 K温度窗口内尼古丁热破坏的动力学模型。根据吸烟时的平均吸 puff 时间,采用2.0秒的反应时间。不过,在尼古丁形成动力学研究中考虑了不同的反应时间。

结果

气相色谱 - 质谱(GC - MS)结果表明,随着 puff 时间增加,释放出的尼古丁量减少。这一观察结果与本研究中报道的紫外可见光谱(UV - Vis)数据显著一致。一般来说,ES1和SM1香烟中尼古丁破坏的温度依赖速率常数分别为[公式:见原文] s和[公式:见原文] s。此外,ES1香烟释放的尼古丁量比SM1香烟释放的尼古丁量多约10倍。

结论

已发现所提出的烟草中尼古丁热降解形成吡啶的机理模型与本研究提出的动力学模型相符。因此,可以根据一组积分速率定律间接测定烟草烟雾中自由基中间体如吡啶基自由基的浓度。这项研究还表明,不同香烟因主要生长条件和烟草加工过程中添加物的潜在差异,会产生不同量的尼古丁和吡啶。本研究中阐明的尼古丁活化能与文献报道一致。

图形摘要

香烟解剖结构以及燃烧过程中涉及主要化学过程(热解、GC - MS分析和动力学建模)

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e4d/5062895/721b8199bb46/13065_2016_206_Figa_HTML.jpg

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