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使用高分辨率轨道阱质谱仪对木烟颗粒中的羟基多环芳烃进行可疑物筛查以及对其他有机化合物进行非目标物筛查。

Suspect screening of OH-PAHs and non-target screening of other organic compounds in wood smoke particles using HR-Orbitrap-MS.

作者信息

Avagyan Rozanna, Åberg Magnus, Westerholm Roger

机构信息

Department of Environmental Science and Analytical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden.

Department of Environmental Science and Analytical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden.

出版信息

Chemosphere. 2016 Nov;163:313-321. doi: 10.1016/j.chemosphere.2016.08.039. Epub 2016 Aug 18.

Abstract

Wood combustion has been shown to contribute significantly to emissions of polycyclic aromatic hydrocarbons and hydroxylated polycyclic aromatic hydrocarbons, compounds with toxic and carcinogenic properties. However, only a small number of hydroxylated polycyclic aromatic hydrocarbons have been determined in particles from wood combustion, usually compounds with available reference standards. In this present study, suspect and non-target screening strategies were applied to characterize the wood smoke particles from four different wood types and two combustion conditions with respect to hydroxylated polycyclic aromatic hydrocarbons and other organic compounds. In the suspect screening, 32 peaks corresponding to 12 monohydroxylated masses were tentatively identified by elemental composition assignments and matching of isotopic pattern and fragments. More than one structure was suggested for most of the measured masses. Statistical analysis was performed on the non-target screening data in order to single out significant peaks having intensities that depend on the wood type and/or combustion condition. Significant peaks were found in both negative and positive ionization modes, with unique peaks for each wood type and combustion condition, as well as a combination of both factors. Furthermore, structural elucidation of some peaks was done by comparing the spectra in the samples with spectra found in the spectral databases. Six compounds were tentatively identified in positive ionization mode, and 19 in negative ionization mode. The results in this present study demonstrate that there are significant overall differences in the chemistry of wood smoke particles that depends on both the wood type and the combustion condition used.

摘要

木材燃烧已被证明会大量排放多环芳烃和羟基化多环芳烃,这些化合物具有毒性和致癌性。然而,在木材燃烧产生的颗粒物中,仅测定了少数几种羟基化多环芳烃,通常是那些有可用参考标准品的化合物。在本研究中,采用可疑物和非目标物筛查策略,针对羟基化多环芳烃和其他有机化合物,对来自四种不同木材类型以及两种燃烧条件下的木烟颗粒进行表征。在可疑物筛查中,通过元素组成归属以及同位素模式和碎片匹配,初步鉴定出了与12种单羟基化质量相对应的32个峰。对于大多数测定的质量,提出了不止一种结构。对非目标物筛查数据进行了统计分析,以挑选出强度取决于木材类型和/或燃烧条件的显著峰。在负离子和正离子模式下均发现了显著峰,每种木材类型和燃烧条件都有独特的峰,以及两者因素的组合。此外,通过将样品中的光谱与光谱数据库中的光谱进行比较,对一些峰进行了结构解析。在正离子模式下初步鉴定出6种化合物,在负离子模式下鉴定出19种。本研究结果表明,取决于木材类型和使用的燃烧条件,木烟颗粒的化学组成存在显著的总体差异。

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