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Ion mobility spectrometry

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https://www.readbyqxmd.com/read/28334295/metccs-predictor-a-web-server-for-predicting-collision-cross-section-values-of-metabolites-in-ion-mobility-mass-spectrometry-based-metabolomics
#1
Zhiwei Zhou, Xin Xiong, Zheng-Jiang Zhu
Summary: In metabolomics, rigorous structural identification of metabolites presents a challenge for bioinformatics. The use of collision cross-section (CCS) values of metabolites derived from ion mobility-mass spectrometry effectively increases the confidence of metabolite identification, but this technique suffers from the limit number of available CCS values. Currently, there is no software available for rapidly generating the metabolites' CCS values. Here, we developed the first web server, namely, MetCCS Predictor, for predicting CCS values...
March 11, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28333454/sub-structural-components-of-organic-colloids-from-a-pu-polluted-soil-with-implications-for-pu-mobilization
#2
Nicole DiDonato, Chen Xu, Peter H Santschi, Patrick G Hatcher
Contaminated soil organic matter from the Rocky Flats Environmental Technology Site (RFETS) has been previously shown to accumulate plutonium (Pu) in a colloidal sub-fraction and hypothesized to contain cutin-like chemical structures cross-linked with hydroxamate functionality. The present study further characterizes this high Pu-affinity sub-fraction using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS) and discovers additional sub-structural components. The Pu-enriched fraction was extracted and purified through a series of ultrafiltration and isoelectric focusing (IEF) electrophoresis steps...
March 23, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28332832/serpentine-ultra-long-path-with-extended-routing-super-high-resolution-traveling-wave-ion-mobility-ms-using-structures-for-lossless-ion-manipulations
#3
Liulin Deng, Ian K Webb, Sandilya V B Garimella, Ahmed M Hamid, Xueyun Zheng, Randolph V Norheim, Spencer A Prost, Gordon A Anderson, Jeremy A Sandoval, Erin Shammel Baker, Yehia M Ibrahim, Richard D Smith
Ion mobility (IM) separations have a broad range of analytical applications, but insufficient resolution limits many applications. Here we report on ion mobility separations in a Structures for Lossless Ion Manipulations (SLIM) Serpentine Ultra-long Path with Extended Routing (SUPER) traveling wave (TW) ion mobility (IM) module in conjunction with mass spectrometry (MS). Ions were confined in the SLIM by rf fields in conjunction with a DC guard bias, enabling essentially lossless TW transmission over greatly extended paths...
March 23, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28328039/reduction-of-metal-adducts-in-oligonucleotide-mass-spectra-in-ion-pair-reversed-phase-chromatography-mass-spectrometry-analysis
#4
Robert E Birdsall, Martin Gilar, Henry Shion, Ying Qing Yu, Weibin Chen
RATIONALE: Electrospray ionization mass spectrometry (ESI-MS)-based techniques commonly used in oligonucleotide analyses are known to be sensitive to alkali metal adduct formation. Adducts directly impact the sensitivity of MS-based analyses as the available charge is distributed across the parent peak and adduct(s). The current study systematically evaluated common liquid chromatography (LC) components in LC/ESI-MS configurations used in oligonucleotide analysis to identify metal adduct contributions from LC instrumentation...
July 30, 2016: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28319298/diversity-in-gold-finger-structure-elucidated-by-traveling-wave-ion-mobility-mass-spectrometry
#5
Zhifeng Du, Raphael E F de Paiva, Kristina Nelson, Nicholas P Farrell
Traveling wave ion mobility (TWIM) mass spectrometry (MS) is a powerful method for the structural and conformational analysis of proteins and peptides, enabling the differentiation of isomeric peptides (or proteins) that have the same sequence but are modified at different residues. In this study, the TWIM-MS technique was used to separate isomeric Au(I) metallopeptide ions that were formed by Zn(II) displacement from the parent zinc fingers (ZFs). The synthetic gold finger peptides were derived from the C-terminus of the HIV nucleocapsid p7 protein (NCp7-F2) and finger 3 of the Sp1 transcription factor (Sp1-F3)...
March 20, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28316103/identification-of-hip-bmd-loss-and-fracture-risk-markers-through-population-based-serum-proteomics
#6
Carrie M Nielson, Jack Wiedrick, Jian Shen, Jon Jacobs, Erin S Baker, Aaron Baraff, Paul Piehowski, Christine G Lee, Arie Baratt, Vladislav Petyuk, Shannon McWeeney, Jeong Youn Lim, Douglas C Bauer, Nancy E Lane, Peggy M Cawthon, Richard D Smith, Jodi Lapidus, Eric S Orwoll
Serum proteomics analysis may lead to the discovery of novel osteoporosis biomarkers. The Osteoporotic Fractures in Men Study (MrOS) comprises men ≥65 in the US who have had repeated BMD measures and have been followed for incident fracture. High-throughput quantitative proteomic analysis was performed on baseline fasting serum samples from non-Hispanic white men using a multi-dimensional approach coupling liquid chromatography, ion-mobility separation, and mass spectrometry (LC-IMS-MS). We followed the participants for a mean of 4...
March 18, 2017: Journal of Bone and Mineral Research: the Official Journal of the American Society for Bone and Mineral Research
https://www.readbyqxmd.com/read/28301728/coupling-front-end-separations-ion-mobility-spectrometry-and-mass-spectrometry-for-enhanced-multidimensional-biological-and-environmental-analyses
#7
Xueyun Zheng, Roza Wojcik, Xing Zhang, Yehia M Ibrahim, Kristin E Burnum-Johnson, Daniel J Orton, Matthew E Monroe, Ronald J Moore, Richard D Smith, Erin S Baker
Ion mobility spectrometry (IMS) is a widely used analytical technique for rapid molecular separations in the gas phase. Though IMS alone is useful, its coupling with mass spectrometry (MS) and front-end separations is extremely beneficial for increasing measurement sensitivity, peak capacity of complex mixtures, and the scope of molecular information available from biological and environmental sample analyses. In fact, multiple disease screening and environmental evaluations have illustrated that the IMS-based multidimensional separations extract information that cannot be acquired with each technique individually...
February 23, 2017: Annual Review of Analytical Chemistry
https://www.readbyqxmd.com/read/28301461/metabolomics-and-lipidomics-using-traveling-wave-ion-mobility-mass-spectrometry
#8
Giuseppe Paglia, Giuseppe Astarita
Metabolomics and lipidomics aim to profile the wide range of metabolites and lipids that are present in biological samples. Recently, ion mobility spectrometry (IMS) has been used to support metabolomics and lipidomics applications to facilitate the separation and the identification of complex mixtures of analytes. IMS is a gas-phase electrophoretic technique that enables the separation of ions in the gas phase according to their charge, shape and size. Occurring within milliseconds, IMS separation is compatible with modern mass spectrometry (MS) operating with microsecond scan speeds...
April 2017: Nature Protocols
https://www.readbyqxmd.com/read/28295771/analysis-of-17%C3%AE-estradiol-estriol-and-estrone-in-american-eel-anguilla-rostrata-tissue-samples-using-liquid-chromatography-coupled-to-electrospray-differential-ion-mobility-tandem-mass-spectrometry
#9
Alejandro Cohen, Neil W Ross, Paul M Smith, James P Fawcett
RATIONALE: 17β-Estradiol (E2), estrone (E1) and estriol (E3) are steroid hormones responsible for the regulation of the female reproductive system. Estradiol is planned to be used to feminize eels in aquaculture in order to improve their size and marketability. The residual levels of these hormones in fish tissue must be monitored to meet the requirements of food regulatory agencies. Few studies have studied these hormones on complex biological matrices such as fish tissue. METHODS: We developed a method to analyze E1, E2 and E3 in fish tissue using liquid chromatography in combination with differential ion mobility spectrometry (DMS) and tandem mass spectrometry (MS/MS)...
March 11, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28294360/development-of-a-lc-ms-ms-method-for-quantification-of-two-pairs-of-isomeric-flavonoid-glycosides-and-other-ones-in-rat-plasma-application-to-pharmacokinetic-studies
#10
Sixi Zhang, Yang Xie, Jing Wang, Yanmei Geng, Yu Zhou, Chengxin Sun, Guangshu Wang
An liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed and validated for simultaneous determination of six flavonoid glycosides including isoorientin (1), orientin (2), 2″-O-β-D-xylopyranosyl isoorientin (3), 2″-O-β-D-xylopyranosyl isovitexin (4), 6-C-L-α-arabipyranosyl vitexin (5), and vitexin (6) in rat plasma using isoquercitrin as the internal standard (IS). Plasma samples were prepared by a one-step protein precipitation with acetonitrile. Chromatographic analysis was carried out on a 25-cm C18 column with a gradient mobile phase consisting of acetonitrile and 0...
March 10, 2017: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/28293293/the-podospora-anserina-lytic-polysaccharide-monooxygenase-palpmo9h-catalyzes-oxidative-cleavage-of-diverse-plant-cell-wall-matrix-glycans
#11
Mathieu Fanuel, Sona Garajova, David Ropartz, Nicholas McGregor, Harry Brumer, Hélène Rogniaux, Jean-Guy Berrin
BACKGROUND: The enzymatic conversion of plant biomass has been recently revolutionized by the discovery of lytic polysaccharide monooxygenases (LPMO) that catalyze oxidative cleavage of polysaccharides. These powerful enzymes are secreted by a large number of fungal saprotrophs and are important components of commercial enzyme cocktails used for industrial biomass conversion. Among the 33 AA9 LPMOs encoded by the genome of Podospora anserina, the PaLPMO9H enzyme catalyzes mixed C1/C4 oxidative cleavage of cellulose and cello-oligosaccharides...
2017: Biotechnology for Biofuels
https://www.readbyqxmd.com/read/28287592/chemical-analysis-of-water-accommodated-fractions-of-crude-oil-spills-using-tims-ft-icr-ms
#12
Paolo Benigni, Rebecca Marin, Kathia Sandoval, Piero Gardinali, Francisco Fernandez-Lima
Multiple chemical processes control how crude oil is incorporated into seawater and also the chemical reactions that occur overtime. Studying this system requires the careful preparation of the sample in order to accurately replicate the natural formation of the water-accommodated fraction that occurs in nature. Low-energy water-accommodated fractions (LEWAF) are carefully prepared by mixing crude oil and water at a set ratio. Aspirator bottles are then irradiated, and at set time points, the water is sampled and extracted using standard techniques...
March 3, 2017: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/28287097/a-novel-microwave-induced-plasma-ionization-source-for-ion-mobility-spectrometry
#13
Jianxiong Dai, Zhongjun Zhao, Gaoling Liang, Yixiang Duan
This work demonstrates the application of a novel microwave induced plasma ionization (MIPI) source to ion mobility spectrometry (IMS). The MIPI source, called Surfatron, is composed of a copper cavity and a hollow quartz discharge tube. The ion mobility spectrum of synthetics air has a main peak with reduced mobility of 2.14 cm(2)V(-1)s(-1) for positive ion mode and 2.29 cm(2)V(-1)s(-1) for negative ion mode. The relative standard deviations (RSD) are 0.7% and 1.2% for positive and negative ion mode, respectively...
March 13, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28284082/simultaneous-determination-of-glipizide-and-its-four-hydroxylated-metabolites-in-human-urine-using-lc-ms-ms-and-its-application-in-urinary-phenotype-study
#14
Bo Tan, Aidong Yang, Weian Yuan, Yue Li, Lei Jiang, Jian Jiang, Furong Qiu
Cytochrome P450 (CYP) 2C9 and CYP2C19 genetic mutant could influence the plasma concentration of glipizide in human subjects, which refers to glipizide safety and adverse effects in clinic practice. A further study to investigate the relationship of the concentrations between glipizide and its metabolites in human with different CYP mutants was valuable. We firstly develop a validated liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for simultaneous quantification of glipizide and its hydroxylated metabolites in human urine...
March 6, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28280776/assessing-physicochemical-properties-of-drug-molecules-via-microsolvation-measurements-with-differential-mobility-spectrometry
#15
Chang Liu, J C Yves Le Blanc, Bradley B Schneider, Jefry Shields, James J Federico, Hui Zhang, Justin G Stroh, Gregory W Kauffman, Daniel W Kung, Christian Ieritano, Evan Shepherdson, Mitch Verbuyst, Luke Melo, Moaraj Hasan, Dalia Naser, John S Janiszewski, W Scott Hopkins, J Larry Campbell
The microsolvated state of a molecule, represented by its interactions with only a small number of solvent molecules, can play a key role in determining the observable bulk properties of the molecule. This is especially true in cases where strong local hydrogen bonding exists between the molecule and the solvent. One method that can probe the microsolvated states of charged molecules is differential mobility spectrometry (DMS), which rapidly interrogates an ion's transitions between a solvated and desolvated state in the gas phase (i...
February 22, 2017: ACS Central Science
https://www.readbyqxmd.com/read/28272346/a-greener-quick-and-comprehensive-extraction-approach-for-lc-ms-of-multiple-mycotoxins
#16
Andreas Breidbach
In food/feed control, mycotoxin analysis is often still performed "one analyte at a time". Here a method is presented which aims at making mycotoxin analysis environmentally friendlier through replacing acetonitrile by ethyl acetate and reducing chemical waste production by analyzing four mycotoxins together, forgoing sample extract clean-up, and minimizing solvent consumption. For this, 2 g of test material were suspended in 8 mL water and 16 mL ethyl acetate were added. Extraction was accelerated through sonication for 30 min and subsequent addition of 8 g sodium sulfate...
March 7, 2017: Toxins
https://www.readbyqxmd.com/read/28267339/structural-elucidation-of-cis-trans-dicaffeoylquinic-acid-photoisomerization-using-ion-mobility-spectrometry-mass-spectrometry
#17
Xueyun Zheng, Ryan S Renslow, Mpho M Makola, Ian K Webb, Liulin Deng, Dennis G Thomas, Niranjan Govind, Yehia M Ibrahim, Mwadham M Kabanda, Ian Augustus Dubery, Heino Martin Heyman, Richard D Smith, Ntakadzeni E Madala, Erin Shammel Baker
Due to the recently uncovered health benefits and anti-HIV activities of dicaffeoylquinic acids (diCQAs), understanding their structures and functions is of great interest for drug discovery efforts. DiCQAs are analytically challenging to identify and quantify since they commonly exist as a diverse mixture of positional and geometric (cis/trans) isomers. In this work, we utilized ion mobility spectrometry coupled with mass spectrometry to separate the various isomers before and after UV irradiation. The experimental collision cross sections were then compared with theoretical structures to differentiate and identify the diCQA isomers...
March 7, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28263061/conformational-dynamics-in-ion-mobility-data
#18
Salomé Poyer, Clothilde Comby-Zerbino, Chang Min Choi, Luke MacAleese, Claire Deo, Nicolas Bogliotti, Juan Xie, Jean-Yves Salpin, Philippe Dugourd, Fabien Chirot
The shape of the spectral features in arrival time distributions (ATDs) recorded by ion mobility spectrometry (IMS) can often be interpreted in terms of the coexistence of different isomeric species. Interconversion between such species is also acknowledged to influence the shape of the ATD, even if no general quantitative description of this effect is available. We present an analytical model that allows simulating ATDs resulting from interconverting species. This model is used to reproduce experimental data obtained on a bistable system and to interpret discrepancies between measurements on different types of instruments...
March 16, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28262893/new-frontiers-for-mass-spectrometry-based-upon-structures-for-lossless-ion-manipulations
#19
Yehia M Ibrahim, Ahmed M Hamid, Liulin Deng, Sandilya V B Garimella, Ian K Webb, Erin S Baker, Richard D Smith
Structures for lossless ion manipulations (SLIM) provide a new paradigm for efficient, complex and extended gas phase ion manipulations. SLIM are created from electric fields generated by the application of DC and RF potentials to arrays of electrodes patterned on two parallel surfaces. The electric fields provide lossless ion manipulations, including effective ion transport and storage. SLIM modules have been developed using both constant and oscillatory electric fields (e.g. traveling waves) to affect the ion motion...
March 6, 2017: Analyst
https://www.readbyqxmd.com/read/28258463/nitrogen-oxides-as-dopants-for-the-detection-of-aromatic-compounds-with-ion-mobility-spectrometry
#20
Urszula Gaik, Mika Sillanpää, Zygfryd Witkiewicz, Jarosław Puton
Limits of detection (LODs) in ion mobility spectrometry (IMS) strictly depend on ionization of the analyte. Especially challenging is ionization of compounds with relatively low proton affinity (PA) such as aromatic compounds. To change the course of ion-molecule reactions and enhance the performance of the IMS spectrometer, substances called dopants are introduced into the carrier gas. In this work, we present the results of studies of detection using nitrogen oxides (NOx) dopants. Three aromatic compounds, benzene, toluene, toluene diisocyanate and, for comparison, two compounds with high PA, dimethyl methylphosphonate (DMMP) and triethyl phosphate (TEP), were selected as analytes...
March 3, 2017: Analytical and Bioanalytical Chemistry
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