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Mielko-Niziałek, Karolina, 2025, "Widma NMR - metabolomiczna analiza surowic pacjentów zakażonych Pseudomonas aeruginos", https://doi.org/10.18150/RNUEPM, RepOD, V1
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Zdeponowane dane to surowe widma spektroskopii jądrowego rezonansu magnetycznego (NMR) wykonane na ekstraktach surowicy od pacjentów zakażonych (i niezakażonych) Pseudomonas aeruginosa. Wykonano je w celu zebrania profili metabolomicznych próbek i wykorzystano do analiz metabolomicznych.
Pomiary zostały wykonane na spektrometrze NMR Bruker AVANCE II 600.58 MHz. Użyto pulssekwencji cpmgpr1d (w notacji Brukera).
Protokół ekstrakcji próbek był następujący: 300 µl surowicy krwi wymieszano przez 1 min z 600 µl metanolu i umieszczono w -20°C na 20 min. W kolejnym etapie próbki odwirowano (15 min, 11000 rpm, 4°C) i 650 µl supernatantu odparowano (1100 rpm, 4.5 h, 40°C). W ostatnim kroku próbki zawieszono w 650 µl buforu PBS (0.1 M, 20% D2O, pH=7.4, TSP=0.03 mM) i przeniesiono do 5-mm rurek NMR (Norell ®).
W folderze znajdują się 104 foldery, w których zawarte są dane spektroskopowe dla każdej z próbek surowicy (widma 1H 1D NMR). Dodatkowy folder zawiera wyniki pomiarów spektroskopowych widm 2D NMR dla wybranej próbki surowicy krwi (4 podfoldery).
Po otwarciu plików w programie do obróbki widm NMR (np. Bruker TopSpin) znajdują się opisy każdej z próbek oraz szczegółowe parametry przeprowadzonych pomiarów.
metabolomika, Pseudomonas aeruginosa, NMR
CC BY - Creative Commons Attribution 4.0
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