NMR data from intracellular metabolites of S. cerevisae cells
#This data is part of the paper in press in Nature Communications:
Genipin modulates alpha-synuclein aggregation toxicity by promoting a metabolic shift and by modulating lipid storage Rita Rosado-Ramos1,2,3*, Gonçalo Poças2, Daniela Marques3, Alexandre Foito4, David M. Sevillano5, Mafalda Silva3, Luís G Gonçalveafeira2, Regina Menezes1,2,3,Marcel Ottens5, Derek Stewart4, Markus Zweckstetter6, Miguel C. Seabra, César Mendes, Tiago Fleming Outeiro6,7,8, Pedro Domingos2, Cláudia Nunes dos Santos1,2,3* 1 iBET, Instituto de Biologia Experimental e Tecnológica, Oeiras, Portugal 2Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Oeiras, Portugal 3CEDOC – Chronic Diseases Research Center, Faculdade de Ciências Médicas, Universidade Nova de Lisboa, Lisboa, Portugal 4Environmental and Biochemical Sciences, The James Hutton Institute, DD2 5DA Dundee, Scotland 5Department of Biotechnology, Delft University of Technology, Delft, Netherlands 6 German Center for Neurodegenerative Diseases (DZNE), 37075 Göttingen, Germany 7Department of Experimental Neurodegeneration, University Medical Center Göttingen, Göttingen, Germany 8 Translational and Clinical Research Institute, Faculty of Medical Sciences, Newcastle University, NE2 4HH, United Kingdom *corresponding author (claudia.nunes.santos@nms.unl.pt)
Questions about NMR data contact: lgafeira@itqb.unl.pt
#NMR methods: Dried samples were dissolved in: 600 µL phosphate buffer in D2O (80 mM, pH 7.0) with 2 mM of sodium azide and 0.16 mM of 3-(trimethylsilyl)propionic-2,2,3,3-d4 (TSP), the suspensions were centrifuged at 21 000 g for 5 min at 4ºC and transferred to 5 mm NMR tubes. NMR spectra were acquired on a Bruker Avance II+ 800 MHz spectrometer equipped with a 5 mm TCI H&F/C/N/-D cryoprobe. All 1D 1H were acquired at 298.15 K and using a noesygppr1d pulse program (128 scans, relaxation delay of 4 s, mixing time of 10 ms, spectral width of 20.0237 ppm, 128k points of free induction decay (FID). Processing of spectra was performed with Bruker TopSpin 3.6.2. All FID were multiplied by an exponential function, followed by Fourier Transformation. Spectra were manually phased and baseline corrected. Chemical shifts were adjusted according to the TSP chemical shift at 0.00 ppm. To spectral assignment, 2D NMR spectra were acquired for some samples: 1H-1H TOCSY, 1H-13C HSQC and 1H J-resolved. Metabolite identification and quantification were performed recurring to ChenomxNMRsuite8.12. In some cases, two-dimensional NMR spectra were used to confirm metabolite identification.
#12 spectras:
Amostra Group
A1 A
A2 A
A3 A
E1 E
E2 E
E3 E
E1G EG
E2G EG
E3G EG
G1 G
G2 G
G3 G
#It is include the raw spectra and a .csv file with the metabolites lavels.