FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2891321860> ?p ?o ?g. }

• W2891321860 endingPage "31933" @default.
• W2891321860 startingPage "31924" @default.
• W2891321860 abstract "A novel approach for the identification of New Psychoactive Substances (NPS) by means of Raman spectroscopy coupled with Principal Components Analysis (PCA) employing the largest dataset of NPS reference materials to date is reported here. Fifty three NPS were selected as a structurally diverse subset from an original dataset of 478 NPS compounds. The Raman spectral profiles were experimentally acquired for all 53 substances, evaluated using a number of pre-processing techniques, and used to generate a PCA model. The optimum model system used a relatively narrow spectral range (1300-1750 cm-1) and accounted for 37% of the variance in the dataset using the first three principal components, despite the large structural diversity inherent in the NPS subset. Nonetheless, structurally similar NPS (i.e., the synthetic cannabinoids FDU-PB-22 & NM-2201) grouped together in the PCA model based on their Raman spectral profiles, while NPS with different chemical scaffolds (i.e., the benzodiazepine flubromazolam and the cathinone α-PBT) were well delineated, occupying markedly different areas of the three-dimensional scores plot. Classification of NPS based on their Raman spectra (i.e., chemical scaffolds) using the PCA model was further investigated. NPS that were present in the initial dataset of 478 NPS but were not part of the selected 53 training set (validation set) were observed to be closely aligned to structurally similar NPS within the generated model system in all cases. Furthermore, NPS that were not present in the original dataset of 478 NPS (test set) were also shown to group as expected in the model (i.e., methamphetamine and N-ethylamphetamine). This indicates that, for the first time, a model system can be applied to potential 'unknown' psychoactive substances, which are new to the market and absent from existing chemical libraries, to identify key structural features to make a preliminary classification. Consequently, it is anticipated that this study will be of interest to the broad scientific audience working with large structurally diverse chemical datasets and particularly to law enforcement agencies and associated scientific analytical bodies worldwide investigating the development of novel identification methodologies for psychoactive substances." @default.
• W2891321860 created "2018-09-27" @default.
• W2891321860 creator A5014885190 @default.
• W2891321860 creator A5016544218 @default.
• W2891321860 creator A5036540737 @default.
• W2891321860 creator A5065534068 @default.
• W2891321860 creator A5066292013 @default.
• W2891321860 creator A5080313345 @default.
• W2891321860 date "2018-01-01" @default.
• W2891321860 modified "2023-10-18" @default.
• W2891321860 title "Detection of newly emerging psychoactive substances using Raman spectroscopy and chemometrics" @default.
• W2891321860 cites W1522637641 @default.
• W2891321860 cites W1532405549 @default.
• W2891321860 cites W1579489857 @default.
• W2891321860 cites W1928613405 @default.
• W2891321860 cites W1930596263 @default.
• W2891321860 cites W1966554473 @default.
• W2891321860 cites W1976487157 @default.
• W2891321860 cites W1984771761 @default.
• W2891321860 cites W2021954528 @default.
• W2891321860 cites W2069274159 @default.
• W2891321860 cites W2076045136 @default.
• W2891321860 cites W2077713240 @default.
• W2891321860 cites W2086202911 @default.
• W2891321860 cites W2105964659 @default.
• W2891321860 cites W2147470678 @default.
• W2891321860 cites W2155892228 @default.
• W2891321860 cites W2156580735 @default.
• W2891321860 cites W2229263729 @default.
• W2891321860 cites W2253179713 @default.
• W2891321860 cites W2267592101 @default.
• W2891321860 cites W2306718394 @default.
• W2891321860 cites W2319377439 @default.
• W2891321860 cites W2323873323 @default.
• W2891321860 cites W2362541830 @default.
• W2891321860 cites W2398752105 @default.
• W2891321860 cites W2460934796 @default.
• W2891321860 cites W2487711851 @default.
• W2891321860 cites W2531015566 @default.
• W2891321860 cites W2585850592 @default.
• W2891321860 cites W2617853301 @default.
• W2891321860 cites W2768101678 @default.
• W2891321860 cites W2790595185 @default.
• W2891321860 cites W2795540047 @default.
• W2891321860 cites W2891321860 @default.
• W2891321860 doi "https://doi.org/10.1039/c8ra05847d" @default.
• W2891321860 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35547469" @default.
• W2891321860 hasPublicationYear "2018" @default.
• W2891321860 type Work @default.
• W2891321860 sameAs 2891321860 @default.
• W2891321860 citedByCount "21" @default.
• W2891321860 countsByYear W28913218602018 @default.
• W2891321860 countsByYear W28913218602019 @default.
• W2891321860 countsByYear W28913218602020 @default.
• W2891321860 countsByYear W28913218602021 @default.
• W2891321860 countsByYear W28913218602022 @default.
• W2891321860 countsByYear W28913218602023 @default.
• W2891321860 crossrefType "journal-article" @default.
• W2891321860 hasAuthorship W2891321860A5014885190 @default.
• W2891321860 hasAuthorship W2891321860A5016544218 @default.
• W2891321860 hasAuthorship W2891321860A5036540737 @default.
• W2891321860 hasAuthorship W2891321860A5065534068 @default.
• W2891321860 hasAuthorship W2891321860A5066292013 @default.
• W2891321860 hasAuthorship W2891321860A5080313345 @default.
• W2891321860 hasBestOaLocation W28913218601 @default.
• W2891321860 hasConcept C113196181 @default.
• W2891321860 hasConcept C120665830 @default.
• W2891321860 hasConcept C121332964 @default.
• W2891321860 hasConcept C151304367 @default.
• W2891321860 hasConcept C153180895 @default.
• W2891321860 hasConcept C154945302 @default.
• W2891321860 hasConcept C169903167 @default.
• W2891321860 hasConcept C185592680 @default.
• W2891321860 hasConcept C186060115 @default.
• W2891321860 hasConcept C27438332 @default.
• W2891321860 hasConcept C40003534 @default.
• W2891321860 hasConcept C41008148 @default.
• W2891321860 hasConcept C43617362 @default.
• W2891321860 hasConcept C86803240 @default.
• W2891321860 hasConceptScore W2891321860C113196181 @default.
• W2891321860 hasConceptScore W2891321860C120665830 @default.
• W2891321860 hasConceptScore W2891321860C121332964 @default.
• W2891321860 hasConceptScore W2891321860C151304367 @default.
• W2891321860 hasConceptScore W2891321860C153180895 @default.
• W2891321860 hasConceptScore W2891321860C154945302 @default.
• W2891321860 hasConceptScore W2891321860C169903167 @default.
• W2891321860 hasConceptScore W2891321860C185592680 @default.
• W2891321860 hasConceptScore W2891321860C186060115 @default.
• W2891321860 hasConceptScore W2891321860C27438332 @default.
• W2891321860 hasConceptScore W2891321860C40003534 @default.
• W2891321860 hasConceptScore W2891321860C41008148 @default.
• W2891321860 hasConceptScore W2891321860C43617362 @default.
• W2891321860 hasConceptScore W2891321860C86803240 @default.
• W2891321860 hasFunder F4320320300 @default.
• W2891321860 hasIssue "56" @default.
• W2891321860 hasLocation W28913218601 @default.
• W2891321860 hasLocation W28913218602 @default.
• W2891321860 hasLocation W28913218603 @default.

• next