A two-stage semi-supervised machine learning approach was developed as a robust method to classify cerium-rich engineered, incidental, and natural nanoparticles measured by spICP-TOFMS.

The second generation ICP-TOFMS is subject to IIF that does not follow the known mass dependent fractionation laws and possibly caused by non-mass and/or multiple processes with varying contributions.

Plastics are complex mixtures consisting of a polymer and additives with different physico-chemical properties. We developed a broad screening method to elucidate the nature of compounds present in plastics used in electrical/electronic equipment commonly found at homes (e.g., electrical adaptors, computer casings, heaters). The analysis was done by (a) solvent extraction followed by liquid chr...

Low-molecular-weight metabolites produced by intestinal microbiota play a direct role in health and disease. In this study, we analyzed the colonic luminal metabolome using capillary electrophoresis mass spectrometry with time-of-flight (CE-TOFMS) -a novel technique for analyzing and differentially displaying metabolic profiles- in order to clarify the metabolite profiles in the intestinal lume...

Capillary electrophoresis/time-of-flight mass spectrometry(CE/TOFMS) has been used for analysis of in-gel digests of protein spots excised from two-dimensional sodium dodecyl sulfate polyacrylamide gel electrophoresis (2-D SDS-PAGE). An off-line purification and preconcentration procedure with a Zip Tip is used before CE/TOFMS analysis which allows for detection of protein spots with <1 picomol...

BACKGROUND Proton transfer reaction-mass spectrometry (PTR-MS), in its recently developed implementation based on time-of-flight mass spectrometry (PTR-TOFMS), was used to rapidly determine the volatile compounds present in fruits of Capsicum spp. RESULTS We analyzed the volatile organic compounds emission profile of freshly cut chili peppers belonging to three species and 33 different cultiv...

Teh venoms of teh scorpions Androctonus crassicauda and Leuris abdullahbayrami, scorpion species each two members Buthidae family, were analyzed by MALDI–TOFMS in a mass range between 1 50 kDa. Interspecies differentiation was evaluated over peptide protein molecules dis range. similarities differences different revealed wif TEMPprincipal component analysis study, which conducted spectral patte...

Thermal decomposition of 1-hexene at temperatures 295-1410 K was conducted using a flash pyrolysis micro-reactor coupled to laser-based vacuum ultraviolet photoionization time-of-flight mass spectrometer (VUV-PI-TOFMS). The mechanism developed with the help theoretical calculation performed MRCI/cc-pvtz//CASSCF/6–31+G(d,p) level. γ-scission and diradical retro-ene reactions were determined as m...

Diamondoids in crude oil are useful for assessing the maturity of oil in high maturation. However, they are very difficult to separate and accurately quantify by conventional geochemical methods due to their low abundance in oil. In this paper, we use comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC×GC-TOFMS) to study the compounds in condensates from t...