Neuropeptides (NPs), a unique class of neuronal signaling molecules, participate in a variety of physiological processes and diseases. Quantitative measurements of NPs provide valuable information regarding how these molecules are differentially regulated in a multitude of neurological, metabolic, and mental disorders. Mass spectrometry (MS) has ev...
There is high concern about the exposure of firefighters to toxic products or carcinogens resulting from combustion during fire interventions. Firefighter turnout gear is designed to protect against immediate fire hazards but not against chemical agents. Additionally, the decontamination of firefighter personal protective equipment remains unresolv...
Published in Journal of proteome research
The ability to improve the data quality of ion mobility-mass spectrometry (IM-MS) measurements is of great importance for enabling modular and efficient computational workflows and gaining better qualitative and quantitative insights from complex biological and environmental samples. We developed the PNNL PreProcessor, a standalone and user-friendl...
Published in Critical reviews in food science and nutrition
Ion mobility spectrometry (IMS) is an analytical separation and diagnostic technique that is simple and sensitive and a rapid response and low-priced technique for detecting trace levels of chemical compounds in different matrices. Chemical agents and environmental contaminants are successfully detected by IMS and have been recently considered to e...
The article presents a technique of differential ion mobility spectrometry (DMS) applicable to the detection and identification of volatile organic compounds (VOCs) from such categories as n-alkanes, alcohols, acetate esters, ketones, botulinum toxin, BTX, and fluoro- and chloro-organic compounds. A possibility of mixture identification using only ...
Most frequently, the identification of peptides in mass spectrometry-based proteomics is carried out using high-resolution tandem mass spectrometry. In order to increase the accuracy of analysis, additional information on the peptides such as chromatographic retention time and collision cross section in ion mobility spectrometry can be used. An acc...
Published in Journal of Analytical Chemistry
AbstractThe formation of an artefact signal can greatly influence the sensitivity of the drift tube ion mobility spectrometer (IMS) in multiplex mode (Hadamard transform mode). This signal is a systematic error of multiplexed signal modulation via pseudorandom sequence (PRS), and it can appear as false peaks, or it can be similar to interference or...
Published in Journal of Analytical Chemistry
Abstract2,6-Di-tert-butylpyridine (DTBP) is widely used in ion mobility spectrometry and its combination with mass spectrometry as a standard compound for the calibration of the ion mobility scale. In this work, we computed the structure and determined the conformational composition of DTBP and products of its protonation using quantum chemical met...
Published in Journal of proteome research
Published in Journal of the American Society for Mass Spectrometry
The reduced mobility of an ion is a key parameter for identifying ions and comparing spectra in drift time ion mobility spectrometry. As the resolution of spectrometers improves, accurate determination of the reduced mobility is increasingly important. The drift time, used to calculate the reduced mobility, is affected by the ion gate, and this eff...
