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Journal of Mass Spectrometry: JMS

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https://www.readbyqxmd.com/read/28321994/detection-and-imaging-of-chrome-yellow-lead-chromate-in-latent-prints-solid-residues-and-minerals-by-laser-desorption-ionization-mass-spectrometry-ldi-ms
#1
Zhaoyu Zheng, Julius Pavlov, Athula B Attygalle
In the past, Chrome Yellow (lead chromate, PbCrO4 ), a bright orange-red substance, has been widely used as an inorganic pigment in the production of paints, coatings, and plastics. Herein, we demonstrate that laser desorption/ionization mass spectrometry (LDI-MS) is a powerful tool for the detection of lead chromate in solid residues. In fact, lead chromate in trace amounts is easily detectable by LDI-MS even from residues left as latent prints. For example, a latent print obtained by stamping the exposed laterally cut surface of a pencil over 50 years old on an acetonitrile-moistened paper, was successfully imaged for both lead and chromate using a Synapt G2 HDMS mass spectrometer...
March 21, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28299837/mathiomica-msviewer-a-dynamic-viewer-for-mass-spectrometry-files-for-mathematica
#2
Raeuf Roushangar, George I Mias
MathIOmica-MSViewer is an add-on graphical user interface utility for the Mathematica software system which facilitates the visualization and exploration of spectra from open format mass spectrometry files (mzXML and mzML standard community formats). The viewer was designed for simplicity and handling of large mass spectrometry data files. To facilitate searches, users may use search filters for the spectra based on mass to charge ratios and retention times, and visualize precursor spectra associated to a parent spectrum...
March 15, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28294490/the-determination-and-application-of-87-sr-86-sr-ratio-in-verifying-geographical-origin-of-wheat
#3
Hongyan Liu, Yimin Wei, Hai Lu, Shuai Wei, Tao Jiang, Yingquan Zhang, Jinfu Ban, Boli Guo
RATIONALE: As (87) Sr/(86) Sr ratio plays a significant role in authenticating the geographical origin of foodstuff, it is important to identify where the (87) Sr/(86) Sr signature in food comes from, and the methods of (87) Sr/(86) Sr ratio analysis in food and environmental samples. METHODS: Wheat with three genotypes, soil and groundwater samples were collected from three regions of China during harvest time of 2014. The (87) Sr/(86) Sr ratios in the samples were determined by thermal ionization mass spectrometer in order to investigate the possible source of (87) Sr/(86) Sr in wheat, and the concentrations of Rb and Sr in wheat and soils were also detected by inductively coupled plasma mass spectrometry and combined with (87) Sr/(86) Sr ratio in order to trace the geographical origin of wheat...
March 14, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28295913/identification-and-characterization-of-fluvastatin-metabolites-in-rats-by-uhplc-q-tof-ms-ms-and-in-silico-toxicological-screening-of-the-metabolites
#4
Balasaheb B Chavan, Pradipbhai D Kalariya, Rakesh D Nimbalkar, Prabha Garg, R Srinivas, M V N Kumar Talluri
The present study reports the in vivo and in vitro identification and characterization of metabolites of fluvastatin (FLU), the HMG CoA reductase inhibitor, using liquid chromatography-mass spectrometry (LC-MS). In vitro studies were conducted by incubating the drug with human liver microsomes (HLM) and rat liver microsomes (RLM). In vivo studies were carried out by administration of the drug in the form of suspension to the Sprague-Dawley (SD) rats followed by collection of urine, faeces and blood at different time points upto 24 h...
March 11, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28258643/charge-transfer-dissociation-ctd-of-phosphocholines-gas-phase-ion-ion-reactions-between-helium-cations-and-phospholipid-cations
#5
Pengfei Li, Glen P Jackson
Phospholipid cations formed by electrospray ionization were subjected to excitation and fragmentation by a beam of 6 keV helium cations in a process termed charge transfer dissociation (CTD). The resulting fragmentation pattern in CTD is different from that of conventional collision-induced dissociation (CID), but analogous to that of metastable atom-activated dissociation (MAD) and electron-induced dissociation (EID). Like CID, CTD yields product ions indicative of acyl chain lengths and degrees of unsaturation in the fatty acyl moieties, but also provides additional structural diagnostic information, such as double bond position...
March 4, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28251731/field-assisted-paper-spray-mass-spectrometry-for-therapeutic-drug-monitoring-1-the-case-of-imatinib-in-plasma
#6
Sara D'Aronco, Mattia Dall'Armi, Sara Crotti, Eleonora Calandra, Pietro Traldi, Valerio Di Marco, Angela Buonadonna, Giuseppe Corona, Luciana Giodini, Elena Marangon, Bianca Posocco, Giuseppe Toffoli, Marco Agostini
The field-assisted paper spray (FAPS) - mass spectrometric method has been employed to quantify the imatinib (IMT) plasma levels in treated patients. The quantitative measurements have been performed on the collisionally generated fragment at m/z 394 of the protonated molecules of IMT and deuterated imatinib (d3 -IMT), used as internal standard. The FAPS-MS/MS method exhibits some limitations, due to the high number of operative parameters that need to be carefully controlled. For this aim paper supports of different geometry and different thickness and porosity were tested...
March 2, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28251728/tandem-mass-spectrometry-a-convenient-approach-in-the-dosage-of-steviol-glycosides-in-stevia-sweetened-commercial-food-beverages
#7
Leonardo Di Donna, Fabio Mazzotti, Ilaria Santoro, Giovanni Sindona
The use of sweeteners extracted from leaves of the plant species Stevia Rebaudiana is worldwide increasing. They are recognized as GRAS (Generally Recognized as Safe) by US-FDA and approved by EU-EFSA, with some recommendation on the daily dosage that should not interfere with glucose metabolism. The results here presented introduce an easy analytical approach for the identification and assay of Stevia sweeteners in commercially available soft drink, based on Liquid Chromatography (LC) coupled to Tandem Mass Spectrometry (MS/MS), using a natural statin like molecule, Brutieridin, as internal standard...
March 1, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28244182/gas-phase-decomposition-of-bilirubin-derived-anions
#8
LETTER
Rafał Frański
No abstract text is available yet for this article.
February 27, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28231419/absolute-photoionization-cross-sections-of-two-cyclic-ketones-cyclopentanone-cyclohexanone
#9
Chelsea Price, Yasmin Fathi, Giovanni Meloni
Absolute photoionization cross sections for cyclopentanone and cyclohexanone, as well as partial ionization cross sections for the dissociative ionized fragments, are presented in this investigation. Experiments are performed via a multiplexed photoionization mass spectrometer utilizing VUV synchrotron radiation supplied by the Advanced Light Source of Lawrence Berkeley National Laboratory. These results allow the quantification of these species that is relevant to investigate the kinetics and combustion reactions of potential biofuels...
February 23, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28220590/biosynthesis-and-mass-spectral-fragmentation-pathways-of-13-c-and-15-n-labeled-cytochalasin-d-produced-by-xylaria-arbuscula
#10
Luciana da Silva Amaral, Taicia Pacheco Fill, Luiz Fernando Arruda Santos, Edson Rodrigues-Filho
The fungus Xylaria arbuscula was isolated as an endophyte from Cupressus lusitanica and has shown to be a prominent producer of cytochalasans, mainly cytochalasin C, D and Q. Cytochalasans comprise an important class of fungal secondary metabolites that have aroused attention due to their uncommon molecular structures and pronounced biological activities. Due to the few published studies on the ESI-MS/MS fragmentation of this important class of secondary metabolites, in the first part of our work we studied the cytochalasin D fragmentation pathways using an ESI-Q-ToF mass spectrometer coupled with liquid chromatography...
February 21, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28171689/collision-induced-dissociation-processes-of-protonated-benzoic-acid-and-related-compounds-competitive-generation-of-protonated-carbon-dioxide-or-protonated-benzene
#11
Sihang Xu, Julius Pavlov, Athula B Attygalle
Upon activation in the gas phase, protonated benzoic acid (m/z 123) undergoes fragmentation by several mechanisms. In addition to the predictable water loss followed by a CO loss, the m/z 123 ion more intriguingly eliminates a molecule of benzene to generate protonated carbon dioxide (HO(+) C≡O, m/z 45), or a molecule of carbon dioxide to yield protonated benzene (m/z 79). Experimental evidence shows that the incipient proton ambulates during the fragmentation processes. For the CO2 or benzene loss, protonated benzoic acid transfers the charge-imparting proton initially to the ortho position and then to the ipso position to generate a transient species which dissociates to form an ion-neutral complex between benzene and protonated CO2 ...
February 7, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28170125/effects-of-acidic-peptide-size-and-sequence-on-trivalent-praseodymium-adduction-and-electron-transfer-dissociation-mass-spectrometry
#12
Juliette J Commodore, Carolyn J Cassady
Using the lanthanide ion praseodymium, Pr(III), metallated ion formation and electron transfer dissociation (ETD) were studied for 25 biological and model acidic peptides. For chain lengths of seven or more residues, even highly acidic peptides that can be difficult to protonate by electrospray ionization will metallate and undergo abundant ETD fragmentation. Peptides composed of predominantly acidic residues form only the deprotonated ion, [M + Pr - H](2+) ; this ion yields near complete ETD sequence coverage for larger peptides...
February 7, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28152561/evaluation-of-relative-ms-response-factors-of-drug-metabolites-for-semi-quantitative-assessment-of-chemical-liabilities-in-drug-discovery
#13
Joachim Blanz, Gareth Williams, Jerôme Dayer, Thierry Délémonté, Werner Gertsch, Philippe Ramstein, Reiner Aichholz, Markus Trunzer, David Pearson
Drug metabolism studies are performed in drug discovery to identify metabolic soft spots, detect potentially toxic or reactive metabolites and provide an early insight into potential species differences. The relative peak area approach is often used to semi-quantitatively estimate the abundance of metabolites. Differences in the LC/MS responses result in an under- or overestimation of the metabolite and misinterpretation of results. The relative MS response factors of 132 structurally diverse drug candidates and their 233 corresponding metabolites were evaluated using a capillary-LC/HRMS system...
February 2, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28152260/thermal-dissociation-of-ions-limits-the-degree-of-the-gas-phase-h-d-exchange-at-the-atmospheric-pressure
#14
Yury Kostyukevich, Alexey Kononikhin, Igor Popov, Eugene Nikolaev
We present the application of the extended desolvating capillaries for the increasing the degree of the gas-phase H/D exchange reaction at atmospheric pressure. The use of the extended capillaries results in the increase of the time that ions spends in the high pressure region, what leads to the significant improvement of the efficiency of the reaction. For the small protein ubiquitin it was observed, that for the same temperature, number of exchanges increases with the decrease of the charge state so that the lowest charge state can exchange twice the number of hydrogen than the highest one...
February 2, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28109035/competitive-benzyl-cation-transfer-proton-transfer-collision-induced-mass-spectrometric-fragmentation-of-protonated-n-n-dibenzylaniline
#15
Ge Ma, Gongye Liu, Shanshan Shen, Yunfeng Chai, Lei Yue, Shunping Zhao, Yuanjiang Pan
Collision-induced dissociation of protonated N,N-dibenzylaniline was investigated by electrospray tandem mass spectrometry. Various fragmentation pathways were dominated by benzyl cation and proton transfer. Benzyl cation transfers from the initial site (nitrogen) to benzylic phenyl or aniline phenyl ring. The benzyl cations transfer to the two different sites and both result in the benzene loss combined with 1,3-H shift. In addition, after the benzyl cation transfers to the benzylic phenyl ring, 1,2-H shift and 1,4-H shift proceed competitively to trigger the diphenylmethane loss and aniline loss respectively...
January 21, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28074623/characterization-and-application-of-a-self-aspirating-electrospray-source-with-pneumatic-assisted-ionization
#16
Quan Yu, Jianchao Zhang, Kai Ni, Xiang Qian, Xiaohao Wang
A single gas-assisted electrospray ion source developed for ambient mass spectrometry is introduced in this paper. Simultaneous self-aspiration and electrospray could be achieved by using a constant sheath gas flow supplied from a mini air pump. A gas dynamic study of the spray module is carried out for structural optimization. The entire device exhibits a simplified design and has been systematically characterized through both simulated and experimental investigations. According to the results, the ion source exhibited satisfactory stability and the ability for quantitative operation in routine electrospray ionization mass spectrometry...
January 11, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28074602/direct-maldi-ms-analysis-of-the-disulfide-bonds-in-peptide-using-thiosalicylic-acid-as-a-reactive-matrix
#17
Daiki Asakawa, Issey Osaka
The ability of a thiol-containing molecule, thiosalicylic acid (TSA), to function as a reactive matrix for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) analysis of peptides has been investigated. Although TSA has reducing characteristics, the use of TSA did not cause a reduction-induced MALDI in-source decay (MALDI-ISD), probably because of the weak interactions between the thiol group in TSA and the carboxyl oxygen in the peptide. In contrast, when peptides containing disulfide bonds were analyzed by MALDI with TSA as the matrix, the disulfide bond was partially cleaved owing to the reaction with TSA, producing TSA adducted peptides...
January 10, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28063268/evaluation-of-the-quality-of-herbal-teas-by-dart-tof-ms
#18
Jana Prchalová, František Kovařík, Aleš Rajchl
The paper focuses on the optimization, settings and validation of direct analysis in real time (DART) coupled with time of flight detector (TOF) when used for the evaluation of the quality of selected herbal teas (fennel, chamomile, nettle, linden, peppermint, thyme, lemon balm, marigold, sage, rose hip, St. John's Wort). The ionization mode, the optimal ionization temperature and the type of solvent for sample extraction were optimized. The characteristic compounds of the analysed herbal teas (glycosides, flavonoids, phenolic and terpenic substances, such as chamazulene, anethole, menthol, thymol, salviol, hypericin etc...
January 7, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28061011/simultaneous-enantiomeric-analysis-of-pharmacologically-active-compounds-in-environmental-samples-by-chiral-lc-ms-ms-with-a-macrocyclic-antibiotic-stationary-phase
#19
D Camacho-Muñoz, B Kasprzyk-Hordern
This paper presents a multi-residue method for direct enantioselective separation of chiral pharmacologically active compounds in environmental matrices. The method is based on chiral liquid chromatography and tandem mass spectrometry detection. Simultaneous chiral discrimination was achieved with a macrocyclic glycopeptide-based column with antibiotic teicoplanin as a chiral selector working under reverse phase mode. For the first time, enantioresolution was reported for metabolites of ibuprofen: carboxyibuprofen and 2-hydroxyibuprofen with this chiral stationary phase...
January 6, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28124800/trans-fatty-acid-accumulation-in-the-human-placenta
#20
Yoshiro Wada, Shumi Yoshida-Yamamoto, Yoshinao Wada, Masahiro Nakayama, Nobuaki Mitsuda, Hiroyuki Kitajima
Trans fatty acid may impair fetal growth and infant neurodevelopment, but the quantity in a placenta and human tissues remains unknown. To address the issue, a simple and reliable method of quantification is needed. We established a method of quantifying trans-octadecenoic acids (trans-6,8,9,11 18:1 fatty acids, TOAs), a major component of trans fatty acid, in human tissue samples, and then determined the TOAs level in the placenta. Oleic acid (OA) (C18:1(9c)) was measured by isotope dilution gas chromatography-mass spectrometry, and the TOAs level was subsequently calculated based on the ratio of the peak areas for TOAs and OA (TOAs/OA) in the mass chromatogram...
March 2017: Journal of Mass Spectrometry: JMS
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