Pesesse, R. published the artcileMultimodal chemometric approach for the analysis of human exhaled breath in lung cancer patients by TD-GC × GC-TOFMS, Category: alcohols-buliding-blocks, the main research area is multimodal chemometrics human exhaled breath lung cancer GC TOFMS; Breath analysis; Comprehensive two-dimensional gas chromatography (GC × GC); Lung cancer; Statistics; Thermal desorption (TD); Time-of-flight mass spectrometry (TOFMS); Volatile organic compounds (VOCs).
Lung cancer is the deadliest cancer in developed countries. To reduce its mortality rate, it is important to enhance the authors’ capability to detect it at earlier stages by developing early diagnostic methods. In that context, the anal. of exhaled breath is an interesting approach because of the simplicity of the medical act and its non-invasiveness. Thermal desorption comprehensive two-dimensional gas chromatog. time of flight mass spectrometry (TD-GC × GC-TOFMS) has been used to characterize and compare the volatile content of human breath of lung cancer patients and healthy volunteers. On the sampling side, the contaminations induced by the bags membrane and further environmental migration of VOCs during and after the sampling have also been studied. Over a realistic period of 6 h, the concentration of contaminants inside the bag can increase from 2 to 3 folds based on simulated breath samples. On the data processing side, Fisher ratio (FR) and random forest (RF) approaches were applied and compared in regards to their ability to reduce the data dimensionality and to extract the significant information. Both approaches allow to efficiently smooth the background signal and extract significant features (27 for FR and 17 for RF). Principal component anal. (PCA) was used to evaluate the clustering capacity of the different models. For both approaches, a separation along PC-1 was obtained with a variance score around 35%. The combined model provides a partial separation with a PC-1 score of 52%. This proof-of-concept study further confirms the potential of breath anal. for cancer detection but also underlines the importance of quality control over the full anal. procedure, including the processing of the data.
Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences published new progress about Homo sapiens. 124-76-5 belongs to class alcohols-buliding-blocks, name is rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, and the molecular formula is C10H18O, Category: alcohols-buliding-blocks.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts