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Ion mobility spectrometry

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https://www.readbyqxmd.com/read/29351237/bioengineering-of-rfviia-biopharmaceutical-and-structure-characterization-for-biosimilarity-assessment
#1
Othman Montacir, Houda Montacir, Murat Eravci, Andreas Springer, Stephan Hinderlich, Fereidoun Mahboudi, Amirhossein Saadati, Maria Kristina Parr
Eptacog alfa (NovoSeven®) is a vitamin K-dependent recombinant Factor VIIa produced by genetic engineering from baby hamster kidney (BHK) cells as a single peptide chain of 406 residues. After activation, it consists of a light chain (LC) of 152 amino and a heavy chain (HC) of 254 amino acids. Recombinant FVIIa undergoes many post-translational modifications (PTMs). The first ten glutamic acids of the N-terminal moiety are γ-carboxylated, Asn145 and Asn322 are N-glycosylated, and Ser52 and Ser60 are O-glycosylated...
January 19, 2018: Bioengineering
https://www.readbyqxmd.com/read/29349888/distal-amyloid-%C3%AE-protein-fragments-template-amyloid-assembly
#2
Thanh D Do, Smriti Sangwan, Natália E C de Almeida, Alexandre I Ilitchev, Maxwell Giammona, Michael R Sawaya, Steven K Buratto, David S Eisenberg, Michael T Bowers
Amyloid formation is associated with devastating diseases such as Alzheimer's, Parkinson's and Type-2 diabetes. The large amyloid deposits found in patients suffering from these diseases have remained difficult to probe by structural means. Recent NMR models also predict heterotypic interactions from distinct peptide fragments but limited evidence of heterotypic packed sheets is observed in solution. Here we characterize two segments of the protein amyloid β (Aβ) known to form fibrils in Alzheimer's disease patients...
January 19, 2018: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/29341601/determining-double-bond-position-in-lipids-using-online-ozonolysis-coupled-to-liquid-chromatography-and-ion-mobility-mass-spectrometry
#3
Rachel A Harris, Jody C May, Craig A Stinson, Yu Xia, John A McLean
The increasing focus on lipid metabolism has revealed a need for analytical techniques capable of structurally characterizing lipids with a high degree of specificity. Lipids can exist as any one of a large number of double bond positional isomers, which are indistinguishable by single-stage mass spectrometry alone. Ozonolysis reactions coupled to mass spectrometry have previously been demonstrated as a means for localizing double bonds in unsaturated lipids. Here we describe an online, solution-phase reactor using ozone produced via a low-pressure mercury lamp, which generates aldehyde products diagnostic of cleavage at a particular double bond position...
January 17, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29335669/portable-faims-applications-and-future-perspectives
#4
Michael T Costanzo, Jared J Boock, Robin H J Kemperman, Michael S Wei, Christopher R Beekman, Richard A Yost
Miniaturized mass spectrometry (MMS) is optimal for a wide variety of applications that benefit from field-portable instrumentation. Like MMS, field asymmetric ion mobility spectrometry (FAIMS) has proven capable of providing in situ analysis, allowing researchers to bring the lab to the sample. FAIMS compliments MMS very well, but has the added benefit of operating at atmospheric pressure, unlike MS. This distinct advantage makes FAIMS uniquely suited for portability. Since its inception, FAIMS has been envisioned as a field-portable device, as it affords less expense and greater simplicity than many similar methods...
November 2017: International Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/29334167/cross-linking-mass-spectrometry-for-studying-protein-structures-and-protein-protein-interactions-where-are-we-now-and-where-should-we-go-from-here
#5
Andrea Sinz
Structural mass spectrometry (MS) is gaining increasing importance in deriving valuable three-dimensional structural information on proteins and protein complexes and complements existing techniques, such as NMR spectroscopy and X-ray crystallography. Structural MS unites different MS-based techniques, i.e, hydrogen-deuterium exchange, native MS, ion-mobility MS, protein footprinting, and chemical cross-linking/MS, and allows fundamental questions in structural biology to be addressed. In this article, I will focus on the cross-linking/MS strategy...
January 15, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29334125/determination-of-isoorientin-levels-in-rat-plasma-after-oral-administration-of-vaccinum-bracteatum-thunb-methanol-extract-by-high-performance-liquid-chromatography-tandem-mass-spectrometry
#6
Min-Ji Kim, Seung-Hwan Kwon, Choon-Gon Jang, Han-Joo Maeng
A simple, sensitive and rapid liquid chromatography tandem mass spectrometry method (LC-MS/MS) was developed and validated for the determination of plasma isoorientin levels in rats. After simple protein precipitation using methanol, chromatographic analysis was performed using a Synergi 4μ polar-RP 80A column (150 mm × 2.0 mm, 4 μm) under isocratic conditions and a mobile phase consisting of 0.1% formic acid in water and methanol (80:20, v/v) at a flow rate of 0.2 mL/min. In positive electrospray ionization mode, the protonated precursor and product ion transitions of isoorientin (m/z 449...
January 15, 2018: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/29332834/direct-inlet-probe-ion-mobility-spectrometry
#7
Andriy Kuklya, Lokman Coban, Florian Uteschil, Klaus Kerpen, Ursula Telgheder
Direct inlet probe (DIP) was used as an introduction and a pre-separation step for atmospheric pressure photoionization time-of-flight ion mobility spectrometry (APPI-TOF-IMS) for the first time. IMS is an analytical technique used to separate and identify ionized molecules in the gas phase and under atmospheric pressure based on their mobility. The utilization of DIP prior to IMS gives the possibility to introduce the analytes into the gas phase and provides an additional separation based on their vapor pressure...
April 1, 2018: Talanta
https://www.readbyqxmd.com/read/29331721/understanding-protein-drug-interactions-using-ion-mobility-mass-spectrometry
#8
REVIEW
Claire E Eyers, Matthias Vonderach, Samantha Ferries, Kiani Jeacock, Patrick A Eyers
Ion mobility-mass spectrometry (IM-MS) is an important addition to the analytical toolbox for the structural evaluation of proteins, and is enhancing many areas of biophysical analysis. Disease-associated proteins, including enzymes such as protein kinases, transcription factors exemplified by p53, and intrinsically disordered proteins, including those prone to aggregation, are all amenable to structural analysis by IM-MS. In this review we discuss how this powerful technique can be used to understand protein conformational dynamics and aggregation pathways, and in particular, the effect that small molecules, including clinically-relevant drugs, play in these processes...
January 10, 2018: Current Opinion in Chemical Biology
https://www.readbyqxmd.com/read/29331063/simultaneous-pharmacokinetics-and-stability-studies-of-physalins-in-rat-plasma-and-intestinal-bacteria-culture-media-using-liquid-chromatography-with-mass-spectrometry
#9
Yunliang Zheng, Meihua Lin, Xingjiang Hu, You Zhai, Qiao Zhang, Yan Lou, Jianzhong ShenTu, Lihua Wu
Physalins are the major steroidal constituent of Physalis plants and display a range of biological activity. For this study, a rapid and sensitive high-performance liquid chromatography with triple quadrupole mass spectrometry method was developed for the simultaneous quantification of six physalins. Specifically, it was for the quantification of physalin A, physalin B, physalin D, physalin G, 4,7-didehydroneophysalin B and isophysalin B in rat plasma and rat intestinal bacteria. After a solid-phase extraction, analytes and internal standards (prednisolone) were separated on a Shield reverse-phase C18 column (measuring 3 mm × 150 mm with an internal diameter of 3...
January 13, 2018: Journal of Separation Science
https://www.readbyqxmd.com/read/29330777/focus-on-novel-instrumentation-in-mass-spectrometry-and-ion-mobility-spectrometry
#10
EDITORIAL
Jenny Brodbelt
No abstract text is available yet for this article.
January 12, 2018: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/29329709/characterization-of-singly-and-multiply-pegylated-insulin-isomers-by-reversed-phase-ultra-performance-liquid-chromatography-interfaced-with-ion-mobility-mass-spectrometry
#11
Selim Gerislioglu, Scott R Adams, Chrys Wesdemiotis
Conjugation of poly(ethylene glycol) (PEG) to protein drugs (PEGylation) is increasingly utilized in the biotherapeutics field because it improves significantly the drugs' circulatory half-life, solubility, and shelf-life. The activity of a PEGylated drug depends on the number, size, and location of the attached PEG chain(s). This study introduces a 2D separation approach, including reversed-phase ultra-performance liquid chromatography (RP-UPLC) and ion mobility mass spectrometry (IM-MS), in order to determine the structural properties of the conjugates, as demonstrated for a PEGylated insulin sample that was prepared by random amine PEGylation...
April 3, 2018: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29329091/determination-of-imm-h004-and-its-active-glucuronide-metabolite-in-rat-plasma-and-ringer-s-solution-by-ultra-performance-liquid-chromatography-tandem-mass-spectrometry
#12
Jianwei Jiang, Ziqian Zhang, Xiaowen Zou, Rui Wang, Jie Bai, Shengyu Zhao, Xiaoqing Fan, Li Sheng, Yan Li
IMM-H004 is a novel neuroprotective agent and its glucuronide metabolite IMM-H004G has similar protective effects against cerebral ischemic injury in vivo and in vitro. A specific and sensitive ultra-performance liquid chromatography-tandem mass spectrometry method was established and validated for determination of IMM-H004 and IMM-H004G simultaneously in rat plasma and Ringer's solution. Plasma samples containing IMM-H004, IMM-H004G and internal standard propranolol were prepared by direct protein precipitation in a sample-to-solvent ratio of 1:2:6 (plasma: water: acetonitrile), whereas no protein precipitation was required for Ringer's solution samples...
December 29, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/29324281/chemical-profiling-of-euphorbia-fischeriana-steud-by-uhplc-q-tof-ms
#13
Canjian Wang, Xiaoqi Zhang, Xiaohong Yan, Wencai Ye, Shuangcheng Ma, Yingqiao Jiang
Ultra-high-performance liquid chromatography coupled with quadrupole/time-of-flight mass spectrometry (UHPLC-Q/TOF-MS) in positive ion mode was used to profile and identify the major constituents in Euphorbia fischeriana Steud. (E. fischeriana). An Agilent ZORBAX SB-C18 column was used to separate the crude extract of E. fischeriana, and the mobile phases were acetonitrile and 0.1% aqueous formic acid (v/v). A total of 40 peaks were detected, and 37 components, including phloroglucinol derivatives, diterpenoids and nitrogenous compounds, were identified based on their accurate masses and fragmentation characteristics...
December 26, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29314156/simultaneous-quantification-of-t4-t3-rt3-3-5-t2-and-3-3-t2-in-larval-zebrafish-danio-rerio-as-a-model-to-study-exposure-to-polychlorinated-biphenyls
#14
Xiaopeng Chen, Kyla M Walter, Galen W Miller, Pamela J Lein, Birgit Puschner
Environmental toxicants that interfere with thyroid hormone (TH) signaling can impact growth and development in animals and humans. Zebrafish represent a model to study chemically-induced TH disruption, prompting the need for sensitive detection of THs. Simultaneous quantification of 3,3',5-triiodo-L-thyronine (T3), thyroxine (T4), 3,3',5'-triiodo-L-thyronine (rT3), 3,5-diiodo-L-thyronine (3,5-T2), and 3,3'-diiodo-L-thyronine (3,3'-T2) in zebrafish larvae was achieved by ultra-performance liquid chromatography-tandem mass spectrometry in positive ion mode...
January 3, 2018: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/29306688/ion-mobility-in-the-pharmaceutical-industry-an-established-biophysical-technique-or-still-niche
#15
REVIEW
Iain Dg Campuzano, Jennifer L Lippens
Over the past decade ion mobility (IM) coupled with mass spectrometry (MS) has emerged as a wide spread analytical technique, utilized in research areas ranging from small molecule to proteins analyzed under native-MS and solution conditions. The ion-neutral collision cross section (Ω) derived from an IM experiment can be used to make inferences about the ion's size, shape and charge distribution, when compared to molecular dynamic (MD) or quantum mechanically (QM) derived candidate structures. IM can also be used as an orthogonal separation technique when coupled with liquid chromatographic (LC) separations...
January 4, 2018: Current Opinion in Chemical Biology
https://www.readbyqxmd.com/read/29300894/a-sensitive-lc-ms-ms-method-for-quantification-of-1-6-o-o-diacetylbritannilactone-in-rat-plasma-and-its-application-in-a-pharmacokinetic-study
#16
Qiang Zhou, He Yan, Rui Li, Xingliang Li, Jingyan Wei
1,6-O,O-Diacetylbritannilactone is a natural sesquiterpene lactone isolated from Inula britannica that has displayed cytotoxic effects against several human cancer cell lines. In this study, a selective and sensitive liquid chromatography-tandem mass spectrometry (LC-MS-MS) method was developed for determination of 1,6-O,O-diacetylbritannilactone in rat plasma. Chromatographic separation was achieved on an Agilent C18 column (4.6 mm × 75 mm, 3.5 μm) with methanol and water (80:20, v/v) as the mobile phase...
December 29, 2017: Journal of Chromatographic Science
https://www.readbyqxmd.com/read/29298045/volatile-compound-fingerprinting-by-headspace-gas-chromatography-ion-mobility-spectrometry-hs-gc-ims-for-the-authenticity-assessment-of-honey-as-benchtop-alternative-to-1h-nmr-profiling
#17
Natalie Gerhardt, Markus Birkenmeier, Sebastian Schwolow, Sascha Rohn, Philipp Weller
This work describes a simple approach of untargeted profiling of volatile compounds for the authentication of the botanical origin of honey based on resolution-optimized HS-GC-IMS, combined with optimized chemometric techniques, namely PCA, LDA and kNN. A direct comparison of the PCA-LDA models between HS-GC-IMS and 1H-NMR data demonstrated that HS-GC-IMS profiling could be used as a complementary tool to the NMR-based profiling of honey samples. While NMR profiling still requires compara-tively precise sample preparation, in particular, pH adjustment, HS-GC-IMS fingerprinting may be considered as an alternative approach for a truly fully automatable, cost-efficient and in particular, highly sensitive method...
January 3, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29297600/a-unique-3-2-annulation-reaction-between-meldrum-s-acid-and-nitrones-mechanistic-insight-by-esi-ims-ms-and-dft-studies
#18
Nicolas Lespes, Etienne Pair, Clisy Maganga, Marie Bretier, Vincent Tognetti, Laurent Joubert, Vincent Levacher, Marie Hubert-Roux, Carlos Afonso, Corinne Loutelier-Bourhis, Jean-François Brière
The fragile intermediates of the domino process leading to isoxazolidin-5-one, triggered by the unique reactivity between Meldrum's acid and N-Bn nitrone in the presence of a Brønsted base, were determined thanks to the softness and accuracy of electrospray ionization mass spectrometry coupled to ion mobility spectrometry (ESI-IMS-MS). The combined DFT study shed light on the overall organocatalytic sequence, which starts by a stepwise (3+2) annulation reaction followed by a decarboxylative protonation sequence encompassing a stereoselective pathway issue...
January 3, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29287439/high-resolution-ion-mobility-mass-spectrometry-as-an-additional-powerful-tool-for-structural-characterization-of-mycotoxin-metabolites
#19
Laura Righetti, Marie Fenclova, Luca Dellafiora, Jana Hajslova, Milena Stranska-Zachariasova, Chiara Dall'Asta
This work was designed as a proof of concept, to demonstrate the successful use of the comparison between theoretical and experimental collision cross section (CCS) values to support the identification of isomeric forms. To this purpose, thirteen mycotoxins were considered and analyzed using drift time ion mobility mass spectrometry. A good linear correlation (r2 = 0.962) between theoretical and experimental CCS was found. The average ΔCCS was 3.2%, fully consistent with the acceptability threshold value commonly set at 5%...
April 15, 2018: Food Chemistry
https://www.readbyqxmd.com/read/29287234/improving-the-discovery-of-secondary-metabolite-natural-products-using-ion-mobility-mass-spectrometry
#20
REVIEW
Alexandra C Schrimpe-Rutledge, Stacy D Sherrod, John A McLean
Secondary metabolite discovery requires an unbiased, comprehensive workflow to detect unknown unknowns for which little to no molecular knowledge exists. Untargeted mass spectrometry-based metabolomics is a powerful platform, particularly when coupled with ion mobility for high-throughput gas-phase separations to increase peak capacity and obtain gas-phase structural information. Ion mobility data are described by the amount of time an ion spends in the drift cell, which is directly related to an ion's collision cross section (CCS)...
December 26, 2017: Current Opinion in Chemical Biology
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