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Ion mobility spectrometry

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https://www.readbyqxmd.com/read/28230966/increasing-peak-capacity-in-non-targeted-omics-applications-by-combining-full-scan-field-asymmetric-waveform-ion-mobility-spectrometry-with-liquid-chromatography-mass-spectrometry
#1
Kayleigh L Arthur, Matthew A Turner, James C Reynolds, Colin S Creaser
Full scan field asymmetric waveform ion mobility spectrometry (FAIMS) combined with liquid chromatography and mass spectrometry (LC-FAIMS-MS) is shown to enhance peak capacity for omics applications. A miniaturized FAIMS device capable of rapid compensation field scanning has been incorporated into an ultra-high performance liquid chromatography (UHPLC) and time-of-flight (TOF) mass spectrometry analysis, allowing the acquisition of full scan FAIMS and MS nested data sets within the timescale of a UHPLC peak...
February 23, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28228233/analyzing-complex-mixtures-of-drug-like-molecules-ion-mobility-as-an-adjunct-to-existing-liquid-chromatography-tandem-mass-spectrometry-methods
#2
Jasper Boschmans, Filip Lemière, Frank Sobott
The use of traveling wave ion mobility mass spectrometry (TWIMS) is evaluated in conjunction with, and as a possible alternative to, conventional LC-MS(/MS) methods for the separation and characterization of drug-like compounds and metabolites. As a model system we use an in vitro incubation mixture of the chemotherapeutic agent melphalan, which results in more than ten closely related hydrolysis products and chain-like oligomers. Ion mobility as a filtering tool results in the separation of ions of interest from interfering ions, based on charge state and shape/size...
February 14, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28224912/high-throughput-screening-and-quantitation-of-guanidino-and-ureido-compounds-using-liquid-chromatography-drift-tube-ion-mobility-spectrometry-mass-spectrometry
#3
Ruo-Jing Fan, Fang Zhang, Xiu-Ping Chen, Wan-Shu Qi, Qing Guan, Tuan-Qi Sun, Yin-Long Guo
The present work focused on the high-throughput screening and quantitation of guanidino compounds (GCs) and ureido compounds (UCs) in human thyroid tissues. The strategy employed benzylic rearrangement stable isotope labeling (BRSIL) for the sample preparation and then detection using liquid chromatography-drift tube ion mobility spectrometry-quadrupole time of flight mass spectrometry (LC-DTIMS-QTOF MS). A short reversed-phase LC realized an on-line desalting and a measurement cycle of 5.0 min. DTIMS separation enhanced the better specificity and selectivity for the benzil labeled GCs and UCs...
April 8, 2017: Analytica Chimica Acta
https://www.readbyqxmd.com/read/28224395/ion-mobility-studies-on-the-negative-ion-molecule-chemistry-of-isoflurane-and-enflurane
#4
Ramón González-Méndez, Peter Watts, David C Howse, Immacolata Procino, Henry McIntyre, Chris A Mayhew
In the present work we present an investigation of the negative ion-molecule chemistry of the anaesthetics isoflurane, ISOF, and enflurane, ENF, in an ion mobility spectrometry/mass spectrometry (IMS/MS), in both air and nitrogen. Hexachloroethane (HCE) was introduced in both air and nitrogen to produce Cl(-) as a reactant ion. This study was undertaken owing to uncertainties in the chemical processes, which lead to the cluster ions reported in other work (Eiceman et al. Anal. Chem. 61, 1093-1099, 1). In particular for ISOF the product ion observed was ISOF...
February 21, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28222617/presynaptic-calmodulin-targets-lessons-from-structural-proteomics
#5
Noa Lipstein, Melanie Göth, Christine Piotrowski, Kevin Pagel, Andrea Sinz, Olaf Jahn
Calmodulin (CaM) is a highly conserved Ca(2+)-binding protein that is exceptionally abundant in the brain. In the presynaptic compartment of neurons, CaM transduces changes in Ca(2+) concentration into the regulation of synaptic transmission dynamics. Areas covered: We review selected literature including published CaM interactor screens and outline established and candidate presynaptic CaM targets. We present a workflow of biochemical and structural proteomic methods that were used to identify and characterize the interactions between CaM and Munc13 proteins...
March 2017: Expert Review of Proteomics
https://www.readbyqxmd.com/read/28216883/comparative-pharmacokinetic-profiles-of-three-protoberberine-type-alkaloids-from-raw-and-bile-processed-rhizoma-coptidis-in-heat-syndrome-rats
#6
Yuan Zi-Min, Chen Yue, Gao Hui, Lv Jia, Chen Gui-Rong, Jing Wang
BACKGROUND: The Bile-processed Rhizoma coptidis (BRC), which has a colder drug property than Rhizoma coptidis (RC), is widely used for the treatment of heat syndrome. We compared the pharmacokinetics of the protoberberine-type alkaloids in BRC and RC in rats with heat syndrome to elucidate the bile-processing mechanism. MATERIAL AND METHODS: We established a rapid and sensitive method for simultaneously determining three alkaloids: berberine, palmatine, and jatrorrhizine, in rat plasma based on ultra-performance liquid chromatography/tandem mass spectrometry...
January 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28215405/screening-of-over-100-drugs-in-horse-urine-using-automated-on-line-solid-phase-extraction-coupled-to-liquid-chromatography-high-resolution-mass-spectrometry-for-doping-control
#7
W H Kwok, Timmy L S Choi, Yeuki Y K Tsoi, Gary N W Leung, Terence S M Wan
A fast method for the direct analysis of enzyme-hydrolysed horse urine using an automated on-line solid-phase extraction (SPE) coupled to a liquid-chromatography/high resolution mass spectrometer was developed. Over 100 drugs of diverse drug classes could be simultaneously detected in horse urine at sub to low parts per billion levels. Urine sample was first hydrolysed by β-glucuronidase to release conjugated drugs, followed by centrifugal filtration. The filtrate (1mL) was directly injected into an on-line SPE system consisting of a pre-column filter and a SPE cartridge column for the separation of analytes from matrix components...
February 14, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28213336/linking-the-mobilization-of-dissolved-organic-matter-in-catchments-and-its-removal-in-drinking-water-treatment-to-its-molecular-characteristics
#8
Julia Raeke, Oliver J Lechtenfeld, Jörg Tittel, Marieke R Oosterwoud, Katrin Bornmann, Thorsten Reemtsma
Drinking water reservoirs in the Northern Hemisphere are largely affected by the decadal-long increase in riverine dissolved organic carbon (DOC) concentrations. The removal of DOC in drinking water treatment is costly and predictions are needed to link DOC removal efficiency to its mobilization in catchments, both of which are determined by the molecular composition. To study the effect of hydrological events and land use on the molecular characteristics of dissolved organic matter (DOM), 36 samples from three different catchment areas in the German low mountain ranges, with DOC concentrations ranging from 3 to 32 mg L(-1), were examined...
February 8, 2017: Water Research
https://www.readbyqxmd.com/read/28213295/determination-of-imm-h004-a-novel-neuroprotective-agent-in-rat-plasma-and-brain-tissue-by-liquid-chromatography-tandem-mass-spectrometry
#9
Ziqian Zhang, Xiangmeng Wu, Manman Zhao, Yakun Yang, Yan Wang, Jinping Hu, Baolian Wang, Li Sheng, Yan Li
A rapid and sensitive liquid chromatography-tandem mass spectrometry method for determination of IMM-H004, a novel neuroprotective agent, in rat plasma and brain was developed. Plasma and brain tissue homogenate samples containing IMM-H004 and propranolol (internal standard, IS) were prepared by using a direct protein precipitation of acetonitrile. Separation was carried out in Zorbax SB-C18 column at a flow rate of 0.3mL/min utilizing acetonitrile/water as mobile phases which contain 0.5% formic acid (v/v)...
February 6, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/28211639/the-use-of-on-line-heart-cutting-high-performance-liquid-chromatography-coupled-with-linear-ion-trap-mass-spectrometry-in-the-identification-of-impurities-in-vidarabine-monophosphate
#10
Hang Wang, Tongzhou Xu, Jiaojian Yuan
It is difficult to identify unknown impurities in nucleotide analogues by mass spectrometry because mass-spectrometry-incompatible mobile phases need to be used to separate the major ingredient from impurities. In this study, vidarabine monophosphate was selected, and unknown impurities were identified by online heart-cutting two-dimensional high performance liquid chromatography and linear ion trap mass spectrometry. The one dimensional reversed phase column was filled with a mobile phase containing non-volatile salt...
February 17, 2017: Journal of Separation Science
https://www.readbyqxmd.com/read/28208402/measurements-of-the-stabilities-of-isolated-retinal-chromophores
#11
L Musbat, M Nihamkin, Y Toker, J M Dilger, D R Fuller, T J El-Baba, D E Clemmer, S Sarkar, L Kronik, A Hirshfeld, N Friedman, M Sheves
The barrier energies for isomerization and fragmentation were measured for a series of retinal chromophore derivatives using a tandem ion mobility spectrometry approach. These measurements allow us to quantify the effect of charge delocalization on the rigidity of chromophores. We find that the role of the methyl group on the C13 position is pivotal regarding the ground state dynamics of the chromophore. Additionally, a correlation between quasi-equilibrium isomer distribution and fragmentation pathways is observed...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208289/atmospheric-pressure-vaporization-mechanism-for-coupling-a-liquid-phase-with-electron-ionization-mass-spectrometry
#12
Veronica Termopoli, Giorgio Famiglini, Pierangela Palma, Maurizio Piergiovanni, Achille Cappiello
A novel liquid chromatography-mass spectrometry (LC-MS) interfacing concept is presented and discussed. The new interface, called liquid-EI (LEI), is based on electron ionization (EI) but, differently from any previous attempt, the vaporization of solutes and mobile phase takes place at atmospheric pressure into a specifically designed region, called "vaporization microchannel", before entering the high-vacuum ion source. The interface is completely independent from the rest of the instrumentation and can be adapted to any gas chromatography/mass spectrometry (GC/MS) system, as an add-on for a rapid LC-MS conversion...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28208278/separation-of-isotopologues-in-ultra-high-resolution-ion-mobility-spectrometry
#13
Ansgar T Kirk, Christian-Robert Raddatz, Stefan Zimmermann
Ion mobility spectrometry provides ion separation in the gas phase mainly based on differing ion-neutral collision cross sections, enabling powerful analysis of many isomers. However, the separation also has a miniscule mass dependence due to the acceleration and collision properties. In this work, we show for the first time that using a compact ultra-high-resolution ion mobility spectrometer with a resolving power of 250 and an UV ionization source enables the separation of isotopologues with ion mobility spectrometry...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28208272/ion-elevators-and-escalators-in-multilevel-structures-for-lossless-ion-manipulations
#14
Yehia M Ibrahim, Ahmed M Hamid, Jonathan T Cox, Sandilya V B Garimella, Richard D Smith
We describe two approaches based upon ion "elevator" and "escalator" components that allow moving ions to different levels in structures for lossless ion manipulations (SLIM). Guided by ion motion simulations, we designed elevator and escalator components based upon ion current measurements providing essentially lossless transmission in multilevel designs. The ion elevator design allowed ions to efficiently bridge a 4 mm gap between levels. The component was integrated in a SLIM and coupled to a QTOF mass spectrometer using an ion funnel interface to evaluate the m/z range transmitted as compared to transmission within a level (e...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28208256/effects-of-drift-gas-selection-on-the-ambient-temperature-ion-mobility-mass-spectrometry-analysis-of-amino-acids
#15
Kimberly L Davidson, Matthew F Bush
Ion mobility (IM) separates ions based on their response to an electric field in the presence of a drift gas. Because of its speed and sensitivity, the integration of IM and mass spectrometry (MS) offers many potential advantages for the analysis of small molecules. To determine the effects that drift gas selection has on the information content of IM separations, absolute collision cross sections (Ω) with He, N2, Ar, CO2, and N2O were measured for the 20 common amino acids using low-pressure, ambient-temperature ion mobility experiments performed in a radio frequency-confining drift cell...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28207277/proton-dynamics-in-protein-mass-spectrometry
#16
Jinyu Li, Wenping Lyu, Giulia Rossetti, Albert Konijnenberg, Antonino Natalello, Emiliano Ippoliti, Modesto Orozco, Frank Sobott, Rita Grandori, Paolo Carloni
Native electrospray ionization/ion mobility-mass spectrometry (ESI/IM-MS) allows an accurate determination of low-resolution structural features of proteins. Yet, the presence of proton dynamics, observed already by us for DNA in the gas phase, and its impact on protein structural determinants, have not been investigated so far. Here, we address this issue by a multistep simulation strategy on a pharmacologically relevant peptide, the N-terminal residues of amyloid-β peptide (Aβ(1-16)). Our calculations reproduce the experimental maximum charge state from ESI-MS and are also in fair agreement with collision cross section (CCS) data measured here by ESI/IM-MS...
February 22, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28205294/simultaneous-determination-of-the-bioactive-components-in-rat-plasma-by-uplc-ms-ms-and-application-in-pharmacokinetic-studies-after-oral-administration-of-radix-scutellariae-extract
#17
Jin-Hua Tao, Jun Xu, Shu Jiang, Yong Ling, Dong-Geng Wang
A highly sensitive and rapid ultraperformance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) has been developed and validated for simultaneous quantification of the four main bioactive compounds, i.e., baicalin, baicalein, wogonoside and wogonin in rat plasma after oral administration of Radix scutellariae extract. Clarithromycin was used as an internal standard (IS). Plasma samples were processed by protein precipitation with methanol. The separation was performed on an Acquity BEH C18 column (100 mm × 2...
February 16, 2017: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/28198190/mining-2-2-complexes-from-1-1-stoichiometry-formation-of-cucurbit-8-uril-diarylviologen-quaternary-complexes-favored-by-electron-donating-substituents
#18
Guanglu Wu, Magdalena Olesińska, Yuchao Wu, Dijana Matak-Vinkovic, Oren A Scherman
A 1:1 binding stoichiometry of a host-guest complex need not consist of a single host and guest. Diarylviologens containing electron-donating substituents complexed with cucurbit[8]uril (CB[8]) in a 1:1 stoichiometry exhibit abnormally large binding enthalpies compared to typical enthalpy changes observed for 1:1 binary complexes. Here, several CB[8]-mediated host-guest complexes, which were previously reported as 1:1 binary complexes, are verified to be 2:2 quaternary complexes by a combination of isothermal titration calorimetry, (1)H, NOESY, and ROESY NMR, and ion mobility mass spectrometry, clearly indicating a binding motif of two partially overlapping diarylviologens held in place with two CB[8] molecules...
February 15, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28194738/collidoscope-an-improved-tool-for-computing-collisional-cross-sections-with-the-trajectory-method
#19
Simon A Ewing, Micah T Donor, Jesse W Wilson, James S Prell
Ion mobility-mass spectrometry (IM-MS) can be a powerful tool for determining structural information about ions in the gas phase, from small covalent analytes to large, native-like or denatured proteins and complexes. For large biomolecular ions, which may have a wide variety of possible gas-phase conformations and multiple charge sites, quantitative, physically explicit modeling of collisional cross sections (CCSs) for comparison to IMS data can be challenging and time-consuming. We present a "trajectory method" (TM) based CCS calculator, named "Collidoscope," which utilizes parallel processing and optimized trajectory sampling, and implements both He and N2 as collision gas options...
February 13, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28193037/monitoring-isomerization-of-molecules-in-solution-using-ion-mobility-mass-spectrometry
#20
James N Bull, Michael S Scholz, Neville J A Coughlan, Akio Kawai, Evan J Bieske
An ion mobility spectrometer (IMS) with an electrospray ion source is used to investigate photo and thermal isomerization of photoactive molecules in the electrospray syringe. A light emitting diode adjacent to the syringe establishes a photostationary state that relaxes thermally toward the more stable isomer once illumination ceases. The arrangement is demonstrated by measuring Z-E thermal isomerization rates for several azoheteroarene compounds. The IMS technique has a distinct advantage over UV-vis spectrophotometry for measuring isomer populations in situations where there are multiple isomers with overlapping absorption profiles...
December 20, 2016: Analytical Chemistry
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