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Journal of Mass Spectrometry: JMS

Rafat Franski, Tomasz Kozik
No abstract text is available yet for this article.
November 24, 2016: Journal of Mass Spectrometry: JMS
Wafaa Halloum, Ronan Cariou, Gaud Dervilly-Pinel, Farouk Jaber, Bruno Le Bizec
Organophosphate esters (OPEs) are chemical compounds incorporated into materials as flame-proof and/or plasticizing agents. In this work, 13 non-halogenated and 5 halogenated OPEs were studied. Their mass spectra were interpreted and compared in terms of fragmentation patterns and dominant ions via various ionization techniques (electron ionization (EI) and chemical ionization (CI) under vacuum and corona discharge atmospheric pressure chemical ionization (APCI)) on gas chromatography coupled to mass spectrometry (GC-MS)...
November 21, 2016: Journal of Mass Spectrometry: JMS
Yuliya E Silina, Petra Herbeck-Engel, Marcus Koch
The study of the key parameters impacted surface-assisted laser desorption/ionization-mass spectrometry (SALDI-MS) is of broad interest. In previous studies, it has been shown that SALDI-MS is a complex process depending on multiple factors. In the presented study, we showed that neither porosity, light absorbance nor surface hydrophobicity alone influence the enhancement phenomena observed from the hybrid metal-semiconductor complexes versus individual targets, but small changes in the analyte attaching to the target significantly affect laser desorption ionization (LDI)-efficiency...
November 18, 2016: Journal of Mass Spectrometry: JMS
Giuseppe Grasso, Paul H Axelsen
When lipid membranes containing ω-6 polyunsaturated fatty acyl chains are subjected to oxidative stress, one of the reaction products is 4-hydroxy-2-nonenal (HNE) - a chemically reactive short chain alkenal that can covalently modify proteins. The ubiquitin proteasome system is involved in the clearing of proteins modified by oxidation products such as HNE, but the chemical structure, stability and function of ubiquitin may be impaired by HNE modification. To evaluate this possibility, the susceptibility of ubiquitin to modification by HNE has been characterized over a range of concentrations where ubiquitin forms non-covalent oligomers...
November 11, 2016: Journal of Mass Spectrometry: JMS
Michele Genangeli, Giovanni Caprioli, Manuela Cortese, Fulvio Laus, Mara Matteucci, Riccardo Petrelli, Massimo Ricciutelli, Gianni Sagratini, Stefano Sartori, Sauro Vittori
A new, fast and simple analytical method that is able to identify and quantify simultaneously 17 steroid hormones and metabolites (Pregnenolone, 17-OH-Pregnenolone, Progesterone, 17-OH Progesterone, Androsterone, Androstenedione, DHEA, DHEAS, Testosterone, Cortisol, Corticosterone, Aldosterone, 11-Deoxycortisol, 11-Deoxycorticosterone, Dihydrotestosterone, Estrone, Estradiol) has been developed in equine serum using the UHPLC-MS/MS technique. 400 μL of sample were deproteinized with 1000 µl of acetonitrile, evaporated, restored with 50 µl of a solution of 25% methanol and injected in UHPLC-MS/MS triple quadrupole...
October 27, 2016: Journal of Mass Spectrometry: JMS
Simone Cristoni, Guglielmo Dusi, Paolo Brambilla, Adriana Albini, Matteo Conti, Maura Brambilla, Antonino Bruno, Francesca Digaudio, Luca Ferlin, Valeria Tazzari, Silvia Mengozzi, Simone Barera, Carlos Salier, Tommaso Trenti, Marco Cantu, Luigi Rossi Bernardi, Douglas M Noonan
Electrospray Ionization (EI) and Collision Induced Dissociation tandem mass spectrometry (CID-MS/MS) are usually employed to obtain compound identification through a mass spectra match. Different algorithms have been developed for this purpose (for example the NIST match algorithm). These approaches compare the tandem mass spectra (MS/MS) of the unknown analyte with the MS/MS spectra of known compounds inserted in a database. The compounds are usually identified on the basis of spectral match value associated with a probability of recognition...
October 24, 2016: Journal of Mass Spectrometry: JMS
Qiang Zhao, Jianli Liu, Bo Wang, Xiaohua Zhang, Guangyan Huang, Wei Xu
Rapid, direct and trace detection of explosives in an open environment is of particular need in homeland and/or transportation security. In this work, an aerodynamic assisted thermo desorption mass spectrometry method was developed for the direct quantitative analyses of explosives from a distance. Remote non-volatile explosive sensing was achieved for 2, 4, 6-trinitrotoluene (TNT), trinitrohexahydro-1, 3, 5-triazine (RDX), 8701 (main ingredient: RDX 98.5%) and C4 (a type of plastic explosive) with a distance of 0...
October 13, 2016: Journal of Mass Spectrometry: JMS
Bi-Cheng Yang, Feng Wang, Xiao Yang, Wei Zou, Jia-Chun Wang, Yang Zou, Fa-Ying Liu, Huai Liu, Ou-Ping Huang
Newborn screening is one of public health concerns designed to screen infants shortly after birth. Prenatal exposure to tobacco smoke such as nicotine has been reported to effects on babies. Levels of nicotine and cotinine in meconium were widely used to evaluate the tobacco exposure of fetuses during pregnancy in a polluted environment. In this study, medical swabs were applied to collect meconium from newborn infants for detection of nicotine and cotinine by touch spray-mass spectrometry (TS-MS). Parameters such as choice of spray solvents, solvent volume and collision energy for screening of nicotine and cotinine were optimized...
October 10, 2016: Journal of Mass Spectrometry: JMS
Joachim Vater, Stefanie Herfort, Joerg Doellinger, Max Weydmann, Kristin Dietel, Sebastian Faetke, Peter Lasch
Paenibacillus polymyxa are rhizobacteria with a high potential to produce natural compounds of biotechnological and medical interest. Main products of P. polymyxa are fusaricidins, a large family of antifungal lipopeptides with a 15-guanidino-3-hydroxypentadecanoic acid (GHPD) as fatty acid side chain. We use the P. polymyxa strain M-1 as a model organism for the exploration of the biosynthetic potential of these rhizobacteria. Using matrix-assisted laser-desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) about 40 new fusaricidins were detected which were fractionated by reversed-phase (rp) HPLC...
October 6, 2016: Journal of Mass Spectrometry: JMS
Christof Stönner, Bettina Derstroff, Thomas Klüpfel, John N Crowley, Horst Fischer, Jonathan Williams
We examine the potential for PTR-TOF-MS systems to quantitatively measure glyoxal in ambient air by characterizing the response of the instrument to a dilute glyoxal sample, calibrating the system as a function of humidity. The concentration of glyoxal in a sample air-stream was measured with an UV absorption spectrometer in parallel to a PTR-TOF-MS. This calibration demonstrated that the PTR-TOF-MS has a relatively low sensitivity to glyoxal particularly at high humidity. Extensive fragmentation of glyoxal to formaldehyde was observed...
October 6, 2016: Journal of Mass Spectrometry: JMS
Dilshadbek T Usmanov, Lee Chuin Chen, Kenzo Hiraoka, Hiroshi Wada, Hiroshi Nonami, Shinichi Yamabe
Experimental and theoretical studies on the oxidation of saturated hydrocarbons (n-hexane, cyclohexane, n-heptane, n-octane, and isooctane) and ethanol in 28 Torr O2 or air plasma generated by a hollow cathode discharge (HCD) ion source were made. Ions corresponding to [M + 15](+) and [M + 13](+) in addition to [M - H](+) and [M - 3H](+) were detected as major ions where M is the sample molecule. The ions [M + 15](+) and [M + 13](+) were assigned as oxidation products, [M - H + O](+) and [M - 3H + O](+) , respectively...
October 5, 2016: Journal of Mass Spectrometry: JMS
Jien-Lian Chen, Chuping Lee, I-Chung Lu, Chia-Lung Chien, Yuan-Tseh Lee, Wei-Ping Hu, Chi-Kung Ni
Electrospray ionization (ESI) and matrix-assisted laser desorption/ionization (MALDI) mainly generate protonated ions from peptides and proteins but sodiated (or potassiated) ions from carbohydrates. The ion intensities of sodiated (or potassiated) carbohydrates generated by ESI and MALDI are generally lower than those of protonated peptides and proteins. Ab initio calculations and transition state theory were used to investigate the reasons for the low detection sensitivity for underivatized carbohydrates...
September 27, 2016: Journal of Mass Spectrometry: JMS
Faizan Zubair, Paul E Laibinis, William G Swisher, Junhai Yang, Jeffrey M Spraggins, Jeremy L Norris, Richard M Caprioli
Prefabricated surfaces containing alpha-cyano-4-hydroxycinnamic acid (CHCA) and trypsin have been developed to facilitate enzymatic digestion of endogenous tissue proteins prior to MALDI imaging mass spectrometry (IMS). Tissue sections are placed onto slides that were previously coated with CHCA and trypsin. After incubation to promote enzymatic digestion, the tissue is analyzed by MALDI IMS to determine the spatial distribution of the tryptic fragments. The peptides detected in the MALDI IMS dataset were identified by LC-MS/MS...
September 27, 2016: Journal of Mass Spectrometry: JMS
Lei Deng, Ai-Min Shi, Hong-Zhi Liu, Naren Meruva, Li Liu, Hui Hu, Ying Yang, Chun Huang, Peng Li, Qiang Wang
Peanut stems and leaves have been used traditionally as both herbal medicines and special food in Asia. In this study, the main functional compounds of peanut stems and leaves extracts were identified using UPLC separation coupled to high resolution mass spectrometry (QTOF-MS), and a traditional medicine library. Three different extraction solvents (ethyl acetate, petroleum ether and n-butanol) were evaluated to prepare the extracts of peanut stems and leaves. A total of 283 chemical compounds were identified in peanut stems and leaves extracts, of which 207 compounds are tentatively new identifications in Genus Arachis...
September 23, 2016: Journal of Mass Spectrometry: JMS
Kyung Man Park, Jeong Hee Moon, Seong Hoon Lee, Myung Soo Kim
In profiling of a specimen by matrix-assisted laser desorption ionization (MALDI) using a solid matrix, the solvent of the matrix solution extracts an analyte(s). A quantitative profiling cannot be achieved if the solvent evaporates before the complete extraction of the analyte. The extraction can become more quantitative when a liquid matrix dissolved in a solvent is used, which remains a liquid even after the evaporation of the solvent. To check this, radii of an analyte circle (rA ), a matrix solution drop (rD ), and a liquid matrix (rM ) remaining after the solvent evaporation were controlled...
September 14, 2016: Journal of Mass Spectrometry: JMS
Maja Friščić, Franz Bucar, Kroata Hazler Pilepić
Plants produce a great number of metabolites with potentially useful biological activities. Species from the genus Globularia (Plantaginaceae) are known as sources of different phenolic and iridoid compounds. Globularia alypum L. is a medicinal plant used as a healing agent in many Mediterranean countries. Similarities in phytochemical composition are often observed for related species. For Globularia spp. such findings were mostly based on identification of several isolated compounds from distinct species...
September 13, 2016: Journal of Mass Spectrometry: JMS
Manale Noun, Elsa Van Elslande, David Touboul, Helen Glanville, Spike Bucklow, Philippe Walter, Alain Brunelle
Time-of-flight secondary ion mass spectrometry (TOF-SIMS) imaging using cluster primary ion beams is used for the identification of the pigments in the painting of Rebecca and Eliezer at the Well by Nicolas Poussin. The combination of the high mass resolution of the technique with a sub-micrometer spatial resolution offered by a delayed extraction of the secondary ions, together with the possibility to simultaneously identifying both minerals and organics, has proved to be the method of choice for the study of the stratigraphy of a paint cross-section...
September 12, 2016: Journal of Mass Spectrometry: JMS
M Noun, E Van Elslande, D Touboul, H Glanville, S Bucklow, P Walter, A Brunelle
The painting Rebecca and Eliezer at the Well, which hangs in the Fitzwilliam Museum, Cambridge, UK, is possibly one of the last figure painting executed by Nicolas Poussin at the very end of his life and is usually dated to the early 1660s. In this perspective special feature, Philippe Walter, Alain Brunelle and colleagues give new insights on the artist's working methods by a careful stateof-the-art imaging ToF-SIMS study of one sample taken on the edge of the painting. This approach allowed for the identification of the pigments used in the painting, their nature and components and those of the ground and preparatory layers, with the identification of the binder(s) and possible other additions of organic materials such as glue...
December 2016: Journal of Mass Spectrometry: JMS
B Wang, J Liu, J Cao, H Wang, X Guan, Z Wei, X Guo
Tandem spectrometry is one of most powerful and versatile tools for peptide and protein structure elucidation. Low-energy CID is by far the most popular and readily accessible activation method to generate high fragmentation efficiency and complementary sequence information for protonated peptides. CID is classically characterized by amide bond cleavage and the formation of typical b/y ions where the observation of c ions is scarce. In this perspective special feature article, Prof. Xinhua Guo and co-workers evaluate the influence of changing an arginine residue for a deuterohemin group at the peptide N-terminal on the formation of c ions upon low-energy CID...
November 2016: Journal of Mass Spectrometry: JMS
David J Harvey, Charlotte A Scarff, Matthew Edgeworth, Kevin Pagel, Konstantinos Thalassinos, Weston B Struwe, Max Crispin, James H Scrivens
Nitrogen collisional cross sections (CCSs) of hybrid and complex glycans released from the glycoproteins IgG, gp120 (from human immunodeficiency virus), ovalbumin, α1-acid glycoprotein and thyroglobulin were measured with a travelling-wave ion mobility mass spectrometer using dextran as the calibrant. The utility of this instrument for isomer separation was also investigated. Some isomers, such as Man3 GlcNAc3 from chicken ovalbumin and Man3 GlcNAc3 Fuc1 from thyroglobulin could be partially resolved and identified by their negative ion fragmentation spectra obtained by collision-induced decomposition (CID)...
November 2016: Journal of Mass Spectrometry: JMS
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