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Differentiating Rice Varieties by Inductively Coupled Plasma Mass Spectrometry Chemical Profiling with Singular Value decomposition Background Correction

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Journal of Analysis and Testing 2018年第2期2卷 138-148页

作者： Xinyi Wang peter de boves harrington Clippinger Laboratories Department of Chemistry and BiochemistryCenter for Intelligent Chemical InstrumentationOhio UniversityAthensOH 45701‑2979USA

As a global staple,rice has an increasing demand for differentiation and authentication,considering both fraud and health aspects for *** complexity of rice urges a rapid,labor-saving,effective,and economical rice differentiation method.A semi-quantitative method using inductively coupled plasma mass spectrometry(ICP–MS)for fast and highthroughput analysis of rice entire elements with singular value decomposition(SVD)background correction(BC)was *** SVD BC method is the first time that it has been used with ICP–MS to minimize the effect of instrumental *** data preprocessing methods,normalization(NM),error scaling(ES),and standard normal variate(SNV)were evaluated by principal component analysis(PCA)and projected difference resolution(PDR).A fuzzy rule-building expert system(FuRES),super partial least squares discriminant analysis(sPLS-DA),support vector machine(SVM),and SVM classification tree(SVMTreeG)classifiers gave 98.1±0.0,99.8±0.4,99.8±0.4,and 100.0±0.0%prediction rates with all of the data preprocessing methods(NM,SVD BC with one component to reconstruct the background,ES,and SNV)for the differentiation of the nine rice-digested samples,respectively.

关键词： Rice ICP–MS SVD PDR SVMTree FuRES

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Chemometrics in the Age of Intelligent Chemical Instruments

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Journal of Analysis and Testing 2018年第3期2卷 191-192页

作者： peter de boves harrington1 Clippinger Laboratories Department of Chemistry and BiochemistryCenter for Intelligent Chemical InstrumentationOhio UniversityAthensOH 45701-2979USA

We are presently living through a dawning of a new era for which artificial intelligence(AI)will affect every aspect of our daily ***,smartphones contain digital personal assistants that can translate our voice commands into digital signals that can control our phones or purchase items for us through the *** advances in our personal technology can also be used for analysis and testing.

关键词： translate smart artificial

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High-Throughput Chemotyping of Cannabis and Hemp Extracts Using an Ultraviolet Microplate Reader and Multivariate Classifiers

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Journal of Analysis and Testing 2018年第3期2卷 210-222页

作者： Zewei Chen peter de boves harrington Steven F.Baugh Clippinger Laboratories Department of Chemistry and BiochemistryCenter for Intelligent Chemical InstrumentationOhio UniversityAthensOH 45701USA Chemistry Mapping Inc.5902 McIntyre St.GoldenCO 80403USA

As the use of Cannabis products as natural medicines burgeons,it is also appearing as a food *** is important to screen Cannabis samples as ingredients by profiling their chemical compositions,which is referred to as *** sets of botanical extracts were *** first set is referred to as Cannabis contained plant materials from 15 samples of the sativa,indica,and hybrids of the two *** second set contained 20 extracts from the variety of Cannabis sativa with low tetrahydrocannabinol(THC)concentrations,i.e.,below 0.3%,and,henceforth,will be referred to as *** ultraviolet(UV)microplate reader provides a cost-effective and high-throughput method for identifying chemotypes of plant extracts by their *** microplate reader affords rapid measurements of small volumes,e.g.,50μL,which demonstrates a potential to significantly reduce the analysis time and cost for Cannabis and hemp chemotyping or chemi-cal *** samples were measured on different days to demonstrate the robustness of the *** difference resolution(PDR)maps were used to visualize the separations among the *** multivariate classifiers,fuzzy rule-building expert system(FuRES),super partial least squares-discriminant analysis(sPLS-DA),support vector machine(SVM),and two tree-based support vector machines(SVMtreeG and SVMtreeH)were *** classifiers were validated with ten bootstrapped Latin partitions(BLPs).For the Cannabis extracts,the SVMtreeG yielded the best performance and the classification accuracy was 99.1±0.4%for spectra collected in the nonlinear absorbance *** the hemp extracts,the SVM classifier performed the best with a 97.4±0.6%classification *** results demonstrate that the UV microplate reader coupled with multivariate classifiers can be used as a high-throughput and cost-effective approach for chemotyping Cannabis.

关键词： Cannabis extracts Hemp extracts Ultraviolet microplate reader Multivariate models High-throughput chemotyping Chemometrics Projected difference resolution map

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