Geographic determination of Pinus ponderosa using DART TOFMS, ICP-MS, and LIBS handheld analyzer

IF 3.7 Q1 CHEMISTRY, ANALYTICAL Talanta Open Pub Date : 2025-08-01 Epub Date: 2025-03-19 DOI:10.1016/j.talo.2025.100440
Erin R. Price , Kierra R. Cano , Caelin P. Celani , Helder V. Carneiro , Karl S. Booksh , James A. Jordan , Pamela J. McClure , Megahn H. Pinedo , Michael E. Ketterer , Kent M. Elliott , Tyler B. Coplen , Edgard O. Espinoza
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Abstract

Due to legal requirements on international imports, it is important for law enforcement and regulatory agencies to identify the geographical provenance of timber. Current methods for geographic identification utilize data generated by direct analysis in real time time-of-flight mass spectrometry (DART TOFMS), genetics, and isotope-ratio mass spectrometry (IRMS), but identification methods based on genetics and IRMS data require months to years to create usable databases. This study used machine learning algorithms to compare the results of DART TOFMS, inductively coupled plasma mass spectrometry (ICP-MS), and a handheld laser-induced breakdown spectroscopy (LIBS) analyzer for use in geographic identification of five populations of Pinus ponderosa spaced between 14 to 72 km apart. The results of the study showed comparable performances from machine learning algorithms applied to the ICP-MS and LIBS data with accuracy and kappa values over 90% while the DART TOFMS had an accuracy of 76% and a kappa value of 70%. This study demonstrated that data from the LIBS handheld analyzer is a viable and intriguing alternative to ICP-MS and DART TOFMS analyses in generating training databases and further indicates that trace elemental analysis via ICP-MS is a promising method for generating databases used to identify the origin of timber.

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采用DART TOFMS、ICP-MS和LIBS手持式分析仪测定黄松的地理分布
由于国际进口的法律要求,执法和监管机构确定木材的地理来源是很重要的。目前的地理识别方法利用实时飞行时间质谱(DART TOFMS)、遗传学和同位素比质谱(IRMS)直接分析产生的数据,但基于遗传学和IRMS数据的识别方法需要数月至数年才能创建可用的数据库。本研究使用机器学习算法比较了DART TOFMS、电感耦合等离子体质谱(ICP-MS)和手持激光诱导击穿光谱(LIBS)分析仪的结果,用于对相隔14至72公里的5个松种群进行地理鉴定。研究结果表明,应用于ICP-MS和LIBS数据的机器学习算法的准确度和kappa值超过90%,而DART TOFMS的准确度为76%,kappa值为70%。该研究表明,LIBS手持式分析仪的数据在生成训练数据库方面是ICP-MS和DART TOFMS分析的可行和有趣的替代方案,并进一步表明,通过ICP-MS进行痕量元素分析是一种有前途的方法,用于生成用于识别木材来源的数据库。
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来源期刊
Talanta Open
Talanta Open Chemistry-Analytical Chemistry
CiteScore
5.20
自引率
0.00%
发文量
86
审稿时长
49 days
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