Project description:Metabolite analysis of DDW fecal samples, standard methanol extraction. Data were acquired using a Bruker Daltonics maXis Impact and C18 RP-UHPLC. Positive polarity acquisition of LC-MS/MS.
Project description:Example metabolite analysis of food and stool samples. Samples were extracted in ethanol using FoodOmics protocols. Data were acquired using a Bruker Daltonics maXis Impact and C18 RP-UHPLC. Positive polarity acquisition of LC-MS and LC-MS/MS.
Project description:Plasma samples of patients diagnosed with CCM. Samples were run with a standard extraction (Plate 1 5x) and then again through a Phree Kit (Phree Kit Plate) to remove phospholipids. Data was acquired using a Bruker Maxis Impact and C18 RP-UHPLC using positive and negative polarity of LC-MS/MS.
Project description:This study aimed to validate the effectiveness of matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS)-based identification of filamentous fungi of the order Mucorales. A total of 111 isolates covering six genera preserved at the Research Center for Medical Mycology of Peking University were selected for MALDI-TOF MS analysis. We emphasized the study of 23 strains of Mucor irregularis predominantly isolated from patients in China. We first used the Bruker Filamentous Fungi library (v1.0) to identify all 111 isolates. To increase the identification rate, we created a compensatory in-house database, the Beijing Medical University (BMU) database, using 13 reference strains covering 6 species, including M. irregularis, Mucor hiemalis, Mucor racemosus, Cunninghamella bertholletiae, Cunninghamella phaeospora, and Cunninghamella echinulata All 111 isolates were then identified by MALDI-TOF MS using a combination of the Bruker library and BMU database. MALDI-TOF MS identified 55 (49.5%) and 74 (66.7%) isolates at the species and genus levels, respectively, using the Bruker Filamentous Fungi library v1.0 alone. A combination of the Bruker library and BMU database allowed MALDI-TOF MS to identify 90 (81.1%) and 111 (100%) isolates at the species and genus levels, respectively, with a significantly increased accuracy rate. MALDI-TOF MS poorly identified Mucorales when the Bruker library was used alone due to its lack of some fungal species. In contrast, this technique perfectly identified M. irregularis after main spectrum profiles (MSPs) of relevant reference strains were added to the Bruker library. With an expanded Bruker library, MALDI-TOF MS is an effective tool for the identification of pathogenic Mucorales.
Project description:Tentative identification of primary and secondary metabolites in aqueous extracts from aerial parts of Verbascum betonicifolium Kuntze was done. This plant belongs to the Scrophulariaceae family and is used for several treatments in folk medicine. One of the processes commonly used to prepare this plant for consumption is boiling with water during approximately 20 minutes, that is, a decoction process. After filtration, this decoction was analysed in search for bioactive metabolites. The analysis was carried out by Electro-Spray Ionization (ESI) and High-Resolution Mass Spectrometry (HRMS) was done using a Quadropole Time-of-Flight (QToF, Impact II, Bruker), coupled to an Ultra High-Performance Liquid Chromatography (UHPLC, ELUTE autosampler, Bruker). The analysis was done in the negative mode (ESI-) and the identification was accomplished using the molecular formula suggestions from the Data Analysis 4.4™ software from Bruker and some databases, like Metlin and PubChem, always confirming with MS/MS results. These data can be used for finding biomarkers between Verbascum sps or to complementary medicine practitioners to get a scientific based knowledge of their results. These data are the unpublished supplementary materials related to "Bioactivities of Iridoids and flavonoids present in decoctions from aerial parts of Verbascum betonicifolium" (Fadel et al., 2020, submitted).
Project description:Burkholderia pseudomallei is not represented in the current version of Bruker Biotyper matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) system. A total of 66 isolates of B. pseudomallei, including 30 clinical isolates collected from National Taiwan University Hospital (NTUH, n = 27) and Peking Union Medical College Hospital (PUMCH, n = 3), and 36 isolates of genetically confirmed strains, including 13 from clinical samples and 23 from environmental samples, collected from southern Taiwan were included in this study. All these isolates were identified by partial 16S rDNA gene sequencing analysis and the Bruker Biotyper MALDI-TOF MS system. Among the 30 isolates initially identified as B. pseudomallei by conventional identification methods, one was identified as B. cepacia complex (NTUH) and three were identified as B. putida (PUMCH) by partial 16S rDNA gene sequencing analysis and Bruker Biotyper MALDI-TOF MS system. The Bruker Biotyper MALDI-TOF MS system misidentified 62 genetically confirmed B. pseudomallei isolates as B. thailandensis or Burkholderia species (score values, 1.803-2.063) when the currently available database (DB 5627) was used. However, using a newly created MALDI-TOF MS database (including B. pseudomallei NTUH-3 strain), all isolates were correctly identified as B. pseudomallei (score values >2.000, 100%). An additional 60 isolates of genetically confirmed B. cepacia complex and B. putida were also evaluated by the Bruker Biotyper MALDI-TOF MS system using the newly created database and none of these isolates were identified as B. pseudomallei. MALDI-TOF MS is a versatile and robust tool for the rapid identification of B. pseudomallei using the enhanced database.