11 research outputs found
666 MAGNETIC RESONANCE IMAGING TO MONITOR LASER INDUCED INTERSTITIAL THERMOTHERAPY OF RENAL MASSES
684 EX-VIVO EVALUATION OF NEW 980NM DIODE LASER DEVICE FOR TREATMENT OF BENIGN PROSTATIC ENLARGEMENT
From agricultural fields to surface water systems: the overland transport of veterinary antibiotics
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
Abstract In mass spectrometry-based untargeted metabolomics, rarely more than 30% of the compounds are identified. Without the true identity of these molecules it is impossible to draw conclusions about the biological mechanisms, pathway relationships and provenance of compounds. The only way at present to address this discrepancy is to use in silico fragmentation software to identify unknown compounds by comparing and ranking theoretical MS/MS fragmentations from target structures to experimental tandem mass spectra (MS/MS). We compared the performance of four publicly available in silico fragmentation algorithms (MetFragCL, CFM-ID, MAGMa+ and MS-FINDER) that participated in the 2016 CASMI challenge. We found that optimizing the use of metadata, weighting factors and the manner of combining different tools eventually defined the ultimate outcomes of each method. We comprehensively analysed how outcomes of different tools could be combined and reached a final success rate of 93% for the training data, and 87% for the challenge data, using a combination of MAGMa+, CFM-ID and compound importance information along with MS/MS matching. Matching MS/MS spectra against the MS/MS libraries without using any in silico tool yielded 60% correct hits, showing that the use of in silico methods is still important
SchussenAktivplus: reduction of micropollutants and of potentially pathogenic bacteria for further water quality improvement of the river Schussen, a tributary of Lake Constance, Germany
An in-vitro approach for water quality determination: activation of NF-κB as marker for cancer-related stress responses induced by anthropogenic pollutants of drinking water
Epidemiological studies show that there is a link
between urban water pollution and increase in human morbidity
and mortality. With the increase in number of new substances
arising from the chemical, pharmaceutical, and agricultural
industries, there is an urgent need to develop biological
test systems for fast evaluation of potential risks to
humans and the environmental ecosystems. Here, a combined
cellular reporter assay based on the cellular survival and the
stress-induced activation of the survival-promoting factor nuclear
factor κB (NF-κB) and its use for the detection of cytotoxicity
and cancer-related stress responses is presented. A
total of 14 chemicals that may be found in trace-amounts in
ground water levels are applied and tested with the presented
assay. The project is embedded within the joint research project
TOX-BOX which aims to develop a harmonized testing
strategy for risk management of anthropogenic trace substances
in potable water. The assay identified carbendazim
as a NF-κB-activating agent in mammalian cells