分析化学
分析化學
분석화학
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
2014年
7期
937-941
,共5页
郭晓勇%稳国柱%黄德双%方黎%张为俊
郭曉勇%穩國柱%黃德雙%方黎%張為俊
곽효용%은국주%황덕쌍%방려%장위준
气溶胶单粒子%气溶胶飞行时间质谱%自组织特征映射%聚类分析
氣溶膠單粒子%氣溶膠飛行時間質譜%自組織特徵映射%聚類分析
기용효단입자%기용효비행시간질보%자조직특정영사%취류분석
Individual aerosol particles%Aerosol time-of-flight mass spectrometry%Self-organizing map%Clustering analysis
气溶胶飞行时间质谱仪( ATOFMS)在对气溶胶粒子的测量过程中,产生大量包含单粒子化学成分和粒径信息的数据。本研究采用具备矢量量化与数据降维能力的自组织特征映射网络( SOM ),对自制的气溶胶飞行时间质谱仪24 h采集到的室内大气气溶胶质谱数据进行聚类分析。获得“含钙”、“盐类和二次气溶胶”、“二次颗粒”、“有机胺”、“富含钾有机物”、“无机盐”和“土壤”等20类颗粒。相比于其它聚类方法,SOM可进行可视化分析,对神经元进行再次聚类,聚类中心多。这些分类信息将有助于评估气溶胶粒子的反应和毒性,以及鉴别气溶胶粒子的起源。
氣溶膠飛行時間質譜儀( ATOFMS)在對氣溶膠粒子的測量過程中,產生大量包含單粒子化學成分和粒徑信息的數據。本研究採用具備矢量量化與數據降維能力的自組織特徵映射網絡( SOM ),對自製的氣溶膠飛行時間質譜儀24 h採集到的室內大氣氣溶膠質譜數據進行聚類分析。穫得“含鈣”、“鹽類和二次氣溶膠”、“二次顆粒”、“有機胺”、“富含鉀有機物”、“無機鹽”和“土壤”等20類顆粒。相比于其它聚類方法,SOM可進行可視化分析,對神經元進行再次聚類,聚類中心多。這些分類信息將有助于評估氣溶膠粒子的反應和毒性,以及鑒彆氣溶膠粒子的起源。
기용효비행시간질보의( ATOFMS)재대기용효입자적측량과정중,산생대량포함단입자화학성분화립경신식적수거。본연구채용구비시량양화여수거강유능력적자조직특정영사망락( SOM ),대자제적기용효비행시간질보의24 h채집도적실내대기기용효질보수거진행취류분석。획득“함개”、“염류화이차기용효”、“이차과립”、“유궤알”、“부함갑유궤물”、“무궤염”화“토양”등20류과립。상비우기타취류방법,SOM가진행가시화분석,대신경원진행재차취류,취류중심다。저사분류신식장유조우평고기용효입자적반응화독성,이급감별기용효입자적기원。
Large amount of data including chemical composition and size information of individual particles would be generated in the measurement of aerosol particles using atmospheric aerosol time-of-flight mass spectrometry ( ATOFMS ) . Our home-made ATOFMS was used to measure the indoor individual aerosol particles in real-time for 24 h, and the obtained mass spectrometric data were clustering analysis by self-organizing map ( SOM ) because of its ability of vector quantization and data dimensionality reduction. 20 classification results were got which included"Calcium-Containing","Salt+Secondary particles","Secondary particles","Organic Amines","K+-Rich Organics" and"Soil" particles, etc. Compared with previous mass spectrometric methods, SOM is a natural visualization tool, more classification results can be obtained. This classification information would be useful to assess the response and toxicity of atmospheric aerosol particles and identify the origin of atmospheric aerosol particles.