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Ion mobility spectrometry

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https://www.readbyqxmd.com/read/28093968/quantification-of-etodolac-in-human-plasma-for-pharmacokinetics-and-bioequivalence-studies-in-27-korean-subjects
#1
Il-Dong Song, Je-Seop Kang, Hyun-Jin Kim, Se-Mi Kim, Dong-Xu Zhao, Shin-Hee Kim, Min-Young Chun, Kyuhyun Lee
We developed a simple and validated liquid chromatography tandem mass spectrometry(LC-MS/MS) for quantification of etodolac using pioglitazone as an internal standard (IS) to assess pharmacokinetics and to appraise bioequivalence of two formulations of etodolac (reference and tested) in 27 healthy Korean subjects. Isocratic mobile phase consisted of 10 mM ammonium formate and acetonitrile were used to separate the analytes on a Gemini C18 column. Also, analytes were analyzed by MS/MS in multiple reaction monitoring (MRM) mode using the transitions of (M+H)+ ions, m/z 288...
16, 2017: Drug Metabolism Letters
https://www.readbyqxmd.com/read/28092379/structure-fragmentation-patterns-and-magnetic-properties-of-small-nickel-oxide-clusters
#2
R H Aguilera-Del-Toro, F Aguilera-Granja, L C Balbás, A Vega
We report a comprehensive theoretical study of the structural and electronic properties of neutral and charged nickel oxide clusters, NinOm(0/±) (n = 3-8 and m = 1-10), in the context of recent experiments of photodissociation and Ion Mobility Mass Spectrometry. By means of density functional theory calculations in the generalized gradient approximation for exchange and correlation, we determined the putative ground states as well as the low-energy structural- and spin-isomers which were then used to explore the favorable fragmentation channels of the nickel oxide cationic clusters, and the resulting most abundant products, in good qualitative agreement with photodissociation measurements...
January 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28089067/effect-of-mobile-phase-additives-on-solute-retention-at-low-aqueous-ph-in-hydrophilic-interaction-liquid-chromatography
#3
David V McCalley
Trifluoracetic acid (TFA) added to the aqueous acetonitrile mobile phase induces some unexpected changes in the ionic component of retention in hydrophilic interaction separations when using Type B silica and amide-bonded silica columns. TFA use results in anion exchange properties which contrast with the cation exchange typically found with ammonium salt buffers. The significant cation exchange properties of silica hydride columns are also moderated by TFA. Similar behaviour was shown in a metal- free amide column operated on a system washed with a metal complexing agent, suggesting that adsorbed metal cations were not responsible for this anion exchange behaviour...
December 15, 2016: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28071645/integrating-mass-spectrometry-with-md-simulations-reveals-the-role-of-lipids-in-na-h-antiporters
#4
Michael Landreh, Erik G Marklund, Povilas Uzdavinys, Matteo T Degiacomi, Mathieu Coincon, Joseph Gault, Kallol Gupta, Idlir Liko, Justin L P Benesch, David Drew, Carol V Robinson
Na(+)/H(+) antiporters are found in all kingdoms of life and exhibit catalysis rates that are among the fastest of all known secondary-active transporters. Here we combine ion mobility mass spectrometry and molecular dynamics simulations to study the conformational stability and lipid-binding properties of the Na(+)/H(+) exchanger NapA from Thermus thermophilus and compare this to the prototypical antiporter NhaA from Escherichia coli and the human homologue NHA2. We find that NapA and NHA2, but not NhaA, form stable dimers and do not selectively retain membrane lipids...
January 10, 2017: Nature Communications
https://www.readbyqxmd.com/read/28070541/assignment-of-polymorphic-species-of-insulin-analogues-in-ion-mobility-mass-spectroscopy
#5
Maely P Fávero-Retto, Luiz Henrique Guerreiro, Cássio M Pessanha, Leonardo C Palmieri, Luís Maurício T R Lima
Electrospray ionization - ion mobility spectrometry - mass spectrometry (ESI-IMS-MS) allows the identification of protein polymorphic distribution of protein conformers and oligomers. We report the detailed identification of the species observed with commercially available pharmaceutical preparation of wild-type, regular human insulin.
February 2017: Data in Brief
https://www.readbyqxmd.com/read/28069868/liquid-chromatography-tandem-mass-spectrometric-analysis-of-octaethylene-glycol-monodecyl-ether-in-rat-plasma-and-its-application-to-pharmacokinetic-studies
#6
Hyeon Kim, Hyeong Jun Kim, Min Sun Choi, In Sook Kim, Myung Chan Gye, Hye Hyun Yoo
Alcohol ethoxylates (AEs) are a major class of non-ionic surfactants, which are widely used in household, institutional and industrial cleaners, and they are considered as an alternative of nonylphenol. In this study, a rapid, sensitive and reliable bioanalytical method was developed for the determination of octaethylene glycol monodecyl ether (C10E8, an AE) in rat plasma using liquid chromatography-tandem mass spectrometry (LC-MS-MS). Chromatographic separation was performed on a reversed-phase C18 column (2...
January 8, 2017: Journal of Analytical Toxicology
https://www.readbyqxmd.com/read/28069167/effect-of-mobile-phase-additives-on-solute-retention-at-low-aqueous-ph-in-hydrophilic-interaction-liquid-chromatography
#7
David V McCalley
Trifluoracetic acid (TFA) added to the aqueous acetonitrile mobile phase induces some unexpected changes in the ionic component of retention in hydrophilic interaction separations when using Type B silica and amide-bonded silica columns. TFA use results in anion exchange properties which contrast with the cation exchange typically found with ammonium salt buffers. The significant cation exchange properties of silica hydride columns are also moderated by TFA. Similar behaviour was shown in a metal- free amide column operated on a system washed with a metal complexing agent, suggesting that adsorbed metal cations were not responsible for this anion exchange behaviour...
December 15, 2016: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28060996/determination-of-a-naturally-dnmt1-inhibitor-peperomin-e-in-rat-plasma-by-uflc-ms-ms-and-method-application-in-pharmacokinetic-study
#8
Xin-Zhi Wang, Hong-Mei Wen, Chuan Chai, Wen-Ying Zhang, Ming Gao, Rui Liu, Hao Wu, Jing-Yu Liang
Peperomin E (PepE), a naturally occurring secolignan isolated from Peperomia dindygulensis, has drawn much attention recently due to its anticancer and DNA methyltransferase 1 (DNMT1) inhibitory activity. Here, a simple and sensitive ultra-fast liquid chromatography-tandem mass spectrometry method was developed and validated for the determination of PepE in rat plasma for the first time. Samples were prepared by simple protein precipitation. Separation was performed on an XBridge(TM) C18 column using a mobile phase of acetonitrile and 0...
January 6, 2017: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/28059571/presynaptic-calmodulin-targets-lessons-from-structural-proteomics
#9
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...
January 6, 2017: Expert Review of Proteomics
https://www.readbyqxmd.com/read/28054980/an-integrated-microfabricated-chip-with-double-functions-as-an-ion-source-and-air-pump-based-on-liga-technology
#10
Hua Li, Linxiu Jiang, Chaoqun Guo, Jianmin Zhu, Yongrong Jiang, Zhencheng Chen
The injection and ionization of volatile organic compounds (VOA) by an integrated chip is experimentally analyzed in this paper. The integrated chip consists of a needle-to-cylinder electrode mounting on the Polymethyl Methacrylate (PMMA) substrate. The needle-to-cylinder electrode is designed and fabricated by Lithographie, Galvanoformung and Abformung (LIGA) technology. In this paper, the needle is connected to a negative power supply of -5 kV and used as the cathode; the cylinder electrodes are composed of two arrays of cylinders and serve as the anode...
January 4, 2017: Sensors
https://www.readbyqxmd.com/read/28052590/intracerebral-microdialysis-coupled-to-lc-ms-ms-for-the-determination-tramadol-and-its-major-pharmacologically-active-metabolite-o-desmethyltramadol-in-rat-brain-microdialysates
#11
Mingzhou Liu, Peng Wang, Xuming Yu, Guicheng Dong, Jiang Yue
A rapid and sensitive method involving liquid chromatography electrospray tandem mass spectrometry (LC-ESI-MS/MS) coupled to an intracerebral microdialysis technique was developed for the determination and pharmacokinetic investigation of tramadol and its major active metabolite O-desmethyltramadol (ODT) in rat brain. The microdialysis samples were separated on a C18 column and eluted with a mobile phase of acetonitrile-water-formic acid (50 : 50 : 0.1; v/v/v) at a flow rate of 0.3 mL/min. The ESI-MS/MS spectra were performed in electrospray positive ion mode, and the analytes were detected by multiple reaction monitoring (MRM) of the transitions m/z [M + H](+) 264...
January 4, 2017: Drug Testing and Analysis
https://www.readbyqxmd.com/read/28050872/characterization-of-polyolefin-pyrolysis-species-produced-under-ambient-conditions-by-fourier-transform-ion-cyclotron-resonance-mass-spectrometry-and-ion-mobility-mass-spectrometry
#12
Mathilde Farenc, Matthias Witt, Kirsten Craven, Caroline Barrère-Mangote, Carlos Afonso, Pierre Giusti
Polyolefins such as polyethylene (PE) and polypropylene (PP) are often characterized from their pyrolysis products by Py-MS. Nowadays the development of plasma-based direct probe atmospheric pressure sources allow the direct analysis of these polymers. These sources operate at atmospheric pressure, which implies a limited control of the ionization conditions. It was shown that side reactions could occur with species present in air, such as O2, which may lead to the formation of oxidized compounds. In this work, ion mobility-mass spectrometry (IM-MS) and Fourier transform ion cyclotron resonance mass spectrometry (FTICR) were used for the exhaustive characterization of the PP and PE pyrolysis ions produced using plasma-based atmospheric pressure ion sources...
January 3, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28049865/adherence-of-volatile-propofol-to-various-types-of-plastic-tubing
#13
Felix Maurer, Dominik Lorenz, Gianluca Pielsticker, Thomas Volk, Daniel Sessler, Joerg Baumbach, Sascha Kreuer
Propofol is an intravenous anesthetic. Currently, it is not possible to routinely measure blood concentration of the drug in real time. However, multi-capillary column ion-mobility spectrometry (MCC-IMS) of exhaled gas can estimate blood propofol concentration. Unfortunately, adhesion of volatile propofol on plastic materials complicates measurements. Therefore, it is necessary to consider the extent to which volatile propofol adheres to various plastics used in sampling tubing. Perfluoralkoxy (PFA), polytetrafluorethylene (PTFE), polyurethane (PUR), silicone, and Tygon tubing were investigated in an experimental setting using a calibration gas generator (HovaCAL)...
January 4, 2017: Journal of Breath Research
https://www.readbyqxmd.com/read/28036003/dep-on-go-for-simultaneous-sensing-of-multiple-heavy-metals-pollutants-in-environmental-samples
#14
Madhu Biyani, Radhika Biyani, Tomoko Tsuchihashi, Yuzuru Takamura, Hiromi Ushijima, Eiichi Tamiya, Manish Biyani
We describe a simple and affordable "Disposable electrode printed (DEP)-On-Go" sensing platform for the rapid on-site monitoring of trace heavy metal pollutants in environmental samples for early warning by developing a mobile electrochemical device composed of palm-sized potentiostat and disposable unmodified screen-printed electrode chips. We present the analytical performance of our device for the sensitive detection of major heavy metal ions, namely, mercury, cadmium, lead, arsenic, zinc, and copper with detection limits of 1...
December 27, 2016: Sensors
https://www.readbyqxmd.com/read/28032755/ambipolar-small-molecule-polymer-blend-semiconductors-for-solution-processable-organic-field-effect-transistors
#15
Minji Kang, Hansu Hwang, Won-Tae Park, Dongyoon Khim, Jun-Seok Yeo, Yunseul Kim, Yeon-Ju Kim, Yong-Young Noh, Dong-Yu Kim
We report on the fabrication of an organic thin-film semiconductor formed using a blend solution of soluble ambipolar small molecules and an insulating polymer binder that exhibits vertical phase separation and uniform film formation. The semiconductor thin films are produced in a single step from a mixture containing a small molecular semiconductor, namely, quinoidal biselenophene (QBS), and a binder polymer, namely, poly(2-vinylnaphthalene) (PVN). Organic field-effect transistors (OFETs) based on QBS/PVN blend semiconductor are then assembled using top-gate/bottom-contact device configuration, which achieve almost four times higher mobility than the neat QBS semiconductor...
January 13, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28029037/investigation-of-the-complete-suite-of-the-leucine-and-isoleucine-isomers-toward-prediction-of-ion-mobility-separation-capabilities
#16
James N Dodds, Jody C May, John A McLean
In this study we investigated 11 isomers with the molecular formula C6H13NO2 (m/z 131) to ascertain the potential of utilizing drift tube ion mobility mass spectrometry to aid in the separation of isomeric mixtures. This study of small molecules provides a detailed examination of the application of uniform field ion mobility for a narrow scope of isomers with variations in both bond coordination and stereochemistry. For small molecules, it was observed that in general constitutional isomers are more readily separated by uniform field mobility in comparison to stereoisomers such as enantiomers or diastereomers...
December 21, 2016: Analytical Chemistry
https://www.readbyqxmd.com/read/28026168/synthetic-models-of-quasi-stable-amyloid-%C3%AE-40-oligomers-with-significant-neurotoxicity
#17
Yumi Irie, Kazuma Murakami, Mizuho Hanaki, Yusuke Hanaki, Takashi Suzuki, Yoko Monobe, Tomoyo Takai, Ken-Ichi Akagi, Taiji Kawase, Kenji Hirose, Kazuhiro Irie
The formation of soluble oligomers of amyloid β42 and 40 (Aβ42, Aβ40) is the initial event in the pathogenesis of Alzheimer's disease (AD). Based on previous systematic proline replacement and solid-state NMR, we proposed a toxic dimer structure of Aβ42, a highly aggregative alloform, with a turn at positions 22 and 23, and a hydrophobic core in the C-terminal region. However, in addition to Aβ42, Aβ40 dimers can also contribute to AD progression because of the more abundance of Aβ40 monomer in biological fluids...
January 12, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28012589/cocaine-abuse-determination-by-ion-mobility-spectrometry-using-molecular-imprinting
#18
A Sorribes-Soriano, F A Esteve-Turrillas, S Armenta, M de la Guardia, J M Herrero-Martínez
A cocaine-based molecular imprinted polymer (MIP) has been produced by bulk polymerization and employed as selective solid-phase extraction support for the determination of cocaine in saliva samples by ion mobility spectrometry (IMS). The most appropriate conditions for washing and elution of cocaine from MIPs were studied and MIPs were characterized in terms of analyte binding capacity, reusability in water and saliva analysis, imprinting factor and selectivity were established and compared with non-imprinted polymers...
December 15, 2016: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28012588/determination-of-biogenic-amines-in-canned-fish-samples-using-head-space-solid-phase-microextraction-based-on-nanostructured-polypyrrole-fiber-coupled-to-modified-ionization-region-ion-mobility-spectrometry
#19
Razieh Parchami, Mahdie Kamalabadi, Naader Alizadeh
The head-space solid phase microextraction (HS-SPME) was applied to extraction and determination of histamine (HIS), putrescine (PUT), cadaverine (CAD), tyramine (TYR) in canned fish samples by ion mobility spectrometry (IMS) without any derivatization process. HIS and CAD have the same mobilities in nitrogen as buffer gas and their corresponding peaks are severely overlapped in ion mobility spectrum. Peak separation was acquired in the presence of 18-crown-6 vapor as complexation reagent into carrier gas and modified ionization region of IMS (MIR-IMS) at optimum flow rate...
December 16, 2016: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28010740/performance-evaluation-of-oxygen-adsorbents-using-negative-corona-discharge-ion-mobility-spectrometry
#20
Kamal Azadkish, Mohammad T Jafari, Hassan S Ghaziaskar
Trace amounts of oxygen was determined using negative corona discharge as an ionization source for ion mobility spectrometry. A point-in-cylinder geometry with novel design was used to establish the corona discharge without interferences of negative ions such as NOX(-). The desirable background spectrum shows only electrons peak, providing the instrument capable of trace analysis of oxygen in gaseous samples. The limit of detection and linear dynamic range with high coefficient of determination (r(2) = 0...
February 8, 2017: Analytica Chimica Acta
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