0000000001205712
AUTHOR
Manuela Fontana
Erratum: FragClust and TestClust, two informatics tools for chemical structure hierarchical clustering analysis applied to lipidomics. The example of Alzheimer's disease (Analytical and Bioanalytical Chemistry DOI: 10.1007/s00216-015-9229-6)
Erratum to: FragClust and TestClust, two informatics tools for chemical structure hierarchical clustering analysis applied to lipidomics. The example of Alzheimer’s disease
FragClust and TestClust, two informatics tools for chemical structure hierarchical clustering analysis applied to lipidomics. The example of Alzheimer's disease
Lipidomic analysis is able to measure simultaneously thousands of compounds belonging to a few lipid classes. In each lipid class, compounds differ only by the acyl radical, ranging between C10:0 (capric acid) and C24:0 (lignoceric acid). Although some metabolites have a peculiar pathological role, more often compounds belonging to a single lipid class exert the same biological effect. Here, we present a lipidomics workflow that extracts the tandem mass spectrometry data from individual files and uses them to group compounds into structurally homogeneous clusters by chemical structure hierarchical clustering analysis (CHCA). The case-to-control peak area ratios of the metabolites are then a…
FORENSIC INVESTIGATION OF KERATIN MATRIX: DEVELOPMENT OF A METHOD BY TURBOFLOW™ HPLC-MS/MS FOR CANNABINOIDS QUANTITATIVE ANALYSIS
The products of cannabis are the most frequently used illicit drugs of abuse detected in workplace drug-testing programs or in cases of driving under the influence of drugs. For this reason, there is a great need for sensitive and specific methods which can confirm the chronic exposure and which take account of the cut-off values that have been proposed in Italy by the GTFI Guidelines (Group of Italian Forensic Toxicologists). The method currently more appropriate for quantification of Δ9-Tetrahydrocannabinol (THC) and its major metabolite 11-nor-9-Carboxy-Δ9-THC (THCA) appears to be one that involves HPLC-MS/MS and keratin matrix. The purpose of this work, performed at the Mass Spectrometr…