scholarly journals 1H NMR studies distinguish the water soluble metabolomic profiles of untransformed and RAS-transformed cells

PeerJ ◽  
2016 ◽  
Vol 4 ◽  
pp. e2104 ◽  
Author(s):  
Vered Marks ◽  
Anisleidys Munoz ◽  
Priyamvada Rai ◽  
Jamie D. Walls
Keyword(s):  
Principal Component ◽  
Water Soluble ◽  
Lung Epithelial Cells ◽  
Transformed Cells ◽  
Nmr Studies ◽  
H Nmr ◽  
Metabolomic Profiling ◽  
Nmr Data ◽  
Lung Epithelial ◽  
Transformed Cell Lines

Metabolomic profiling is an increasingly important method for identifying potential biomarkers in cancer cells with a view towards improved diagnosis and treatment. Nuclear magnetic resonance (NMR) provides a potentially noninvasive means to accurately characterize differences in the metabolomic profiles of cells. In this work, we use1H NMR to measure the metabolomic profiles of water soluble metabolites extracted from isogenic control and oncogenic HRAS-, KRAS-, and NRAS-transduced BEAS2B lung epithelial cells to determine the robustness of NMR metabolomic profiling in detecting differences between the transformed cells and their untransformed counterparts as well as differences among the RAS-transformed cells. Unique metabolomic signatures between control and RAS-transformed cell lines as well as among the three RAS isoform-transformed lines were found by applying principal component analysis to the NMR data. This study provides a proof of principle demonstration that NMR-based metabolomic profiling can robustly distinguish untransformed and RAS-transformed cells as well as cells transformed with different RAS oncogenic isoforms. Thus, our data may potentially provide new diagnostic signatures for RAS-transformed cells.

1H NMR studies on the solution conformation of the [L-Ser10] and [D-Ser10] analogues of contulakin-G

2005 ◽  
Vol 83 (2) ◽  
pp. 156-165 ◽  
Author(s):  
Lill Kindahl ◽  
Lennart Kenne ◽  
Corine Sandström
Keyword(s):  
Hydrogen Bond ◽  
Biological Data ◽  
Random Coil ◽  
Solution Conformation ◽  
Nmr Studies ◽  
Peptide Backbone ◽  
H Nmr ◽  
Nmr Data ◽  
Nmr Study ◽  
C Terminus

The synthesis of the O-glycosylated serine-10 analogue of contulakin-G yielded both the [L-] and the [D-Ser10] analogues. The 1H NMR study indicated that the sugars of the two Ser10-glycosylated peptides lacked the hydrogen bond to the peptide backbone that exists in contulakin-G. NOEs showed that the glycan part of the [D-Ser10] analogue had a different orientation to the peptide backbone than that of the [L-Ser10] analogue. The peptide backbones in the two compounds were found to exist mainly in random coil conformations, with transient turns at the site of glycosylation. A transient turn was also found at the C-terminus of the [D-Ser10] glycopeptide. The NMR data indicated that the average conformation of the [D-Ser10] analogue resembles the conformation of contulakin-G more than the [L-Ser] does. Since biological data showed that the [D-Ser10] glycopeptide was as active as contulakin-G, while the [L-Ser10] glycopeptide was only slightly active at more than 100 times the dose, it is possible that it is the orientation of the glycan relative to the peptide chain that is actually recognized by the proteolytic enzyme.Key words: conformation, contulakin-G analogues, NMR, O-linked glycopeptide.

Effects of water soluble PM2.5 extracts exposure on human lung epithelial cells (A549): A proteomic study

2013 ◽  
Vol 34 (6) ◽  
pp. 675-687 ◽  
Author(s):  
Qingyu Huang ◽  
Jie Zhang ◽  
Siyuan Peng ◽  
Meiping Tian ◽  
Jinsheng Chen ◽  
...  
Keyword(s):  
Epithelial Cells ◽  
Human Lung ◽  
Water Soluble ◽  
Lung Epithelial Cells ◽  
Lung Epithelial ◽  
Proteomic Study ◽  
Human Lung Epithelial Cells

scholarly journals Automated analysis of large-scale NMR data generates metabolomic signatures and links them to candidate metabolites

2019 ◽  
Author(s):  
Bita Khalili ◽  
Mattia Tomasoni ◽  
Mirjam Mattei ◽  
Roger Mallol Parera ◽  
Reyhan Sonmez ◽  
...  
Keyword(s):  
Principal Component Analysis ◽  
Human Urine ◽  
Nmr Spectra ◽  
Large Scale ◽  
Principal Component ◽  
Automated Analysis ◽  
Urine Samples ◽  
H Nmr ◽  
Nmr Data

AbstractIdentification of metabolites in large-scale 1H NMR data from human biofluids remains challenging due to the complexity of the spectra and their sensitivity to pH and ionic concentrations. In this work, we test the capacity of three analysis tools to extract metabolite signatures from 968 NMR profiles of human urine samples. Specifically, we studied sets of co-varying features derived from Principal Component Analysis (PCA), the Iterative Signature Algorithm (ISA) and Averaged Correlation Profiles (ACP), a new method we devised inspired by the STOCSY approach. We used our previously developed metabomatching method to match the sets generated by these algorithms to NMR spectra of individual metabolites available in public databases. Based on the number and quality of the matches we concluded that both ISA and ACP can robustly identify about a dozen metabolites, half of which were shared, while PCA did not produce any signatures with robust matches.

scholarly journals Chemical Characterization of Seasonal PM2.5 Samples and Their Cytotoxicity in Human Lung Epithelial Cells (A549)

2020 ◽  
Vol 17 (12) ◽  
pp. 4599 ◽  
Author(s):  
Ao Di ◽  
Yun Wu ◽  
Mindong Chen ◽  
Dongyang Nie ◽  
Xinlei Ge
Keyword(s):  
Heavy Metals ◽  
Epithelial Cells ◽  
Human Lung ◽  
Chemical Characterization ◽  
Inorganic Ions ◽  
Water Soluble ◽  
Lung Epithelial Cells ◽  
Ros Production ◽  
Lung Epithelial ◽  
Human Lung Epithelial Cells

In order to study the toxicity of fine particulate matter (PM2.5) sourced from different seasons on human health, we collected PM2.5 samples quarterly from March 2016 to February 2017 in Nanjing, China. The component analysis results showed that high proportions of water-soluble organic carbon (WSOC), SO42−, Ca2+ and Mg2+ were found in the summer samples, while high proportions of NO3−, NH4+ and heavy metals were observed in the spring and winter samples. Then human lung epithelial cells (A549) were exposed to the PM2.5 samples. The toxicological results indicated that reactive oxygen species (ROS) production in the spring and winter samples was higher than that in the summer and fall samples, which was related to the contribution of some heavy metals and inorganic ions (e.g., Pb and NO3−). However, the apoptosis rates of the cells showed the opposite seasonal changes as what the ROS did, which might be caused by the higher WSOC content in the summer. In addition, regression analysis also showed the importance of the PM2.5 components in ROS production and apoptosis. Particularly, Zn had the strongest correlation with ROS production (R = 0.863) and cell apoptosis (R = 0.675); thus, the specific toxicity of Zn in PM2.5 deserves further investigation. Our results could be beneficial for assessing the health risks and controlling the toxic components of PM2.5 in Nanjing.

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