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Journal of Mass Spectrometry: JMS

M Pedrotti, I Khomenko, L Cappellin, M Fontana, M Somenzi, L Falchero, M Arveda, V Fogliano, F Biasioli
In this study, Proton Transfer Reaction - Mass Spectrometry (PTR-MS), coupled with a time-of-flight mass analyzer and a multipurpose automatic sampler, was evaluated as a rapid and non-destructive tool for the quality control (QC) of anhydrous milk fat (AMF). AMFs packed in cardboard and bag-in-box were compared during refrigerated shelf-life at 4°C for 9 months. AMF samples were taken at 120, 180 and 240 days and measured by PTR-MS during storage at 50°C for 11 days. Univariate and multivariate data analysis were performed in order to classify samples according to the packaging type and compare aromatic profiles...
May 23, 2018: Journal of Mass Spectrometry: JMS
Michael Rühl, Stefan Schönborn, Michael Karas
We show an easy and fast method for improved detection of lipophilic peptides with MALDI-MS utilizing the non-ionic detergents n-octylglucoside and n-dodecylmaltoside (laurylmaltoside). Investigations comprised on-plate digestion of proteins with trypsin, detergent effects on the protease trypsin and the changes in MALDI matrix crystallization. Investigations also exhibited a higher tryptic activity in trypsin activity assay of 139 % when using laurylmaltoside as supplement. Crystallization changed towards a more homogeneous crystal distribution and especially trypsinized insulin spectra recorded with MALDI-MS showed improved detectability of lipophilic peptides...
May 22, 2018: Journal of Mass Spectrometry: JMS
Leonardo Di Donna, Lucia Bartella, Anna Napoli, Giovanni Sindona, Fabio Mazzotti
Monacolin K, the active ingredient present in dietary supplement, is a nutraceutical whose health benefits have been widely documented. A fast approach for the assay of lovastatin in both form, lactone and acid, by mass spectrometry is presented. The quantitative assay is carried out by HPLC-MS/MS using the multiple reaction monitoring (MRM) mode and simvastatin and pravastatin as internal standards. The accuracy values ranged from 97 to 101%; the analytical parameters values of LOQ, LOD, recovery and reproducibility, were calculated analyzing fortified samples, confirming the reliability of the proposed approach...
May 16, 2018: Journal of Mass Spectrometry: JMS
Ryohei Hirano, Akitomo Yokokawa, Takashi Furuta, Hiromi Shibasaki
CYP3A phenotyping provide a means for personalized drug therapy. We focused our attention on the plasma 6β-hydroxycortisol (6β-OHF) to cortisol ratio as an index for CYP3A phenotyping. In the present study, we developed a sensitive and reliable method for the simultaneous determination of 6β-OHF and cortisol in human plasma using high-performance liquid chromatography/tandem mass spectrometry (LC-MS/MS) together with picolinylester derivatization or nonderivatization methods and 6β-[9,11,12,12-2 H4 ]hydroxycortisol and [1,2,4,19-13 C4 ]cortisol as internal standards for in vivo CYP3A phenotyping in humans...
May 15, 2018: Journal of Mass Spectrometry: JMS
Lidija Brkljačić, Ivanka Jerić
Chemical derivatization of carbonyl compounds is a prerequisite for their determination in environmental and biological samples by LC-MS/MS analysis. The main requirements in regard to the good derivatization reagent are fast, selective and quantitative reaction with carbonyl compounds, and efficient fragmentation upon collision-induced dissociation (CID). We have prepared glutamic acid-related hydrazine reagent, and optimized derivatization procedure with benzaldehyde as a model carbonyl compound. The CID spectrum of the obtained hydrazone gave rich fragmentation pattern with numerous abundant fragment ions...
May 15, 2018: Journal of Mass Spectrometry: JMS
Mohammed Jaoui, Michael Lewandowski, John H Offenberg, Maribel Colon, Kenneth S Docherty, Tadeusz E Kleindienst
The analytical capabilities associated with the use of silylation reactions have been extended to a new class of organic molecules, nitroaromatic compounds (NACs). These compounds are a possible contributor to urban particulate matter of secondary origin which would make them important analytes due to their (1) detrimental health effects, (2) potential to affect aerosol optical properties, (3) and usefulness for identifying PM2.5 from biomass burning. The technique is based on derivatization of the parent NACs using N,O-bis-(trimethylsilyl)-trifluoro acetamide, one of the most prevalent derivatization reagent for analyzing hydroxylated molecules, followed by GC-MS using electron ionization (EI) and methane chemical ionization (CI)...
May 15, 2018: Journal of Mass Spectrometry: JMS
Yasemin Ucal, Aysel Ozpinar
MALDI mass spectrometry imaging (MSI) enables analysis of peptides along with histology. However, there are several critical steps in MALDI MSI of peptides, one of which is spectral quality. Suppression of MALDI matrix clusters by the aid of ammonium salts in MALDI experiments is well-known. It is asserted that addition of ammonium salts dissociates potential matrix adducts and thereafter decreases matrix cluster formation. Consequently, MALDI MS sensitivity and mass accuracy increases. Up to our knowledge, a limited number of MALDI MSI studies used ammonium salts as matrix additives to suppress matrix clusters and enhance peptide signals...
May 10, 2018: Journal of Mass Spectrometry: JMS
Renata Kobetić, Valentina Ključarić, Dijana Saftić, Josipa Matić, Željka Ban, Snježana Kazazić, Biserka Žinić
No abstract text is available yet for this article.
May 8, 2018: Journal of Mass Spectrometry: JMS
Narumi Oki, Akimasa Fujihara
No abstract text is available yet for this article.
May 2, 2018: Journal of Mass Spectrometry: JMS
Anton Kaufmann
Quadrupole Orbitrap instruments (Q Orbitrap) permit high-resolution mass spectrometry (HRMS)-based full scan acquisitions and have a number of acquisition modes where the quadrupole isolates a particular mass range prior to a possible fragmentation and HRMS-based acquisition. Selecting the proper acquisition mode(s) is essential if trace analytes are to be quantified in complex matrix extracts. Depending on the particular requirements, such as sensitivity, selectivity of detection, linear dynamic range, and speed of analysis, different acquisition modes may have to be chosen...
April 30, 2018: Journal of Mass Spectrometry: JMS
Qionglin Huang, Simin Xu, Mingming Mo, Qingjin Yang, Jian Li, Yu Zhong, Junjie Zhang, Lijian Zhang, Xiaoxiao Ye, Zhou Liu, Chun Cai
Ambiguous alteration patterns of 5-methylcytosine (5mC) and 5-hydroxymethylcytosine (5hmC) involved in Alzheimer's disease (AD) obstructed the mechanism investigation of this neurological disorder from epigenetic view. Here, we applied a fully quantitative and validated LC-MS/MS method to determine genomic 5mC and 5hmC in the brain cortex of three month-aged (12, 15 and 18 month) AD model mouse, and found significant increases of 5mC and 5hmC levels in different months of AD mouse when compared with age-matched wild-type control and exhibited rising trend from 12-month to 18-month AD mouse, thereby supporting genomic DNA methylation and hydroxymethylation was positively correlated with developing AD...
April 25, 2018: Journal of Mass Spectrometry: JMS
Roberto Fernandez-Maestre
Ion mobility spectrometry (IMS) is an analytical technique used for fast and sensitive detection of illegal substances in customs and airports, diagnosis of diseases through detection of metabolites in breath, fundamental studies in physics and chemistry, space exploration and many more applications. IMS separates ions in the gas-phase drifting under an electric field according to their size to charge ratio. IMS disadvantages are false positives that delay transportation, compromise patient's health and other negative issues when IMS is used for detection...
April 24, 2018: Journal of Mass Spectrometry: JMS
Biancamaria Ciasca, Michelangelo Pascale, Valerio Guido Altieri, Francesco Longobardi, Michele Suman, Dante Catellani, Veronica M T Lattanzio
A strong trend toward using highly selective mass spectrometry technologies for screening of multiple mycotoxins has been observed in recent years. In the present study, the process of validation of a multi-mycotoxin screening method based on liquid chromatography high-resolution mass spectrometry method is presented. The method was intended for the simultaneous screening of the major Fusarium toxins (deoxynivalenol, 3- and 15-acetyl deoxynivalenol, T-2 and HT-2 toxins, zearalenone, enniatins A, A1, B, B1, beauvericin) in wheat...
April 20, 2018: Journal of Mass Spectrometry: JMS
Adrian C Robu, Laurentiu Popescu, Daniela G Seidler, Alina D Zamfir
Fibroblast growth factor-2 (FGF-2) is involved in wound healing and embryonic development. Glycosaminoglycans (GAGs), the major components of the extracellular matrix (ECM), play fundamental roles at this level. FGF-GAG noncovalent interactions are in the focus of research, due to their influence upon cell proliferation and tissue regeneration. Lately, high resolution mass spectrometry (MS) coupled with chip-nanoelectrospray (nanoESI) contributed a significant progress in glycosaminoglycomics by discoveries related to novel species and their characterization...
April 20, 2018: Journal of Mass Spectrometry: JMS
Dandan Yu, Xianrui Liang
Sorafenib is an orally active multikinase inhibitor for the treatment of renal cell carcinoma. A series of sorafenib structural analogues were investigated in this work for their gas-phase fragmesntation behaviors using electrospray ionization ion trap mass spectrometry and quadrupole time-of-flight mass spectrometry in the positive mode. The possible fragmentation pathways were proposed based on ESI-MS/MS data and theoretical calculation. Different from the typical α-cleavage of amide, consecutive reactions that involved elimination of H2 O and CH3 NC were observed for 2-pyridinecarboxamide derivatives, which were followed by the formation of a stabilized seven-member ring carbocation by loss of CO...
April 19, 2018: Journal of Mass Spectrometry: JMS
Rania Nassar, Ahmad Rifai, Aurélien Trivella, Patrick Mazellier, Samia Mokh, Mohamad Al-Iskandarani
Sulfonamides (SNs) are synthetic antimicrobial agents. These substances are continually introduced into the environment and they may spread and maintain bacterial resistance in the different compartments. The chlorination of two sulfonamides, namely sulfamethazine (SMT) and sulfamethoxypyridazine (SMP), was investigated in order to study their reactivity with chlorine at typical concentrations for water treatment conditions. Experiments conducted in purified water show an acceleration of SMT and SMP degradation of a factor 1...
April 19, 2018: Journal of Mass Spectrometry: JMS
Sonia Giambelluca, Francesca Ricci, Manuela Simonato, Alessio Correani, Costanza Casiraghi, Matteo Storti, Paola Cogo, Fabrizio Salomone, Virgilio Paolo Carnielli
Variation of the isotopic abundance of selected nutrients and molecules have been used for pharmacological and kinetics studies under the premise that the administered molecule has a different isotopic enrichment from the isotopic background of the recipient subject. The aim of this study is to test the feasibility of assessing the contribution of exogenous surfactant phospholipids to the endogenous alveolar pool in vivo after exogenous surfactant replacement therapy in rabbits. The study consisted in measuring the consistency of 13 C/12 C ratio of disaturated-phosphatidylcholine palmitate (DSPC-PA) in 7 lots of poractant alfa, produced over a year, and among bronchoalveolar lavages of 20 rabbits fed with a standard chow...
April 6, 2018: Journal of Mass Spectrometry: JMS
Klaudia I Kocurek, Rian L Griffiths, Helen J Cooper
Ambient surface mass spectrometry is an emerging field which shows great promise for the analysis of biomolecules directly from their biological substrate. In this article, we describe ambient ionization mass spectrometry techniques for the in situ analysis of intact proteins. As a broad approach, the analysis of intact proteins offers unique advantages for the determination of primary sequence variations and post-translational modifications, as well as interrogation of tertiary and quaternary structure and protein-protein/ligand interactions...
April 2, 2018: Journal of Mass Spectrometry: JMS
Nicholas B Vera, Zhidan Chen, Evan Pannkuk, Evagelia C Laiakis, Albert J Fornace, Derek M Erion, Stephen L Coy, Jeffrey A Pfefferkorn, Paul Vouros
Acetylcarnitine has been identified as one of several urinary biomarkers indicative of radiation exposure in adult rhesus macaque monkeys (non-human primates, NHPs). Previous work has demonstrated an up-regulated dose-response profile in a balanced male/female NHP cohort1 . As a contribution toward the development of metabolomics-based radiation biodosimetry in human populations and other applications of acetylcarnitine screening, we have developed a quantitative, high-throughput method for the analysis of acetylcarnitine...
March 29, 2018: Journal of Mass Spectrometry: JMS
Conner Stultz, Karl J Jobst, Liad Haimovici, Rhys Jones, Sladjana Besevic, Jonathan Byer, Kari L Organtini, Terry Kolic, Eric J Reiner, Frank L Dorman
The use of gas chromatography coupled to high-resolution magnetic sector mass spectrometers (GC-HRMS) is well established for dioxin and furan analysis. However, the use of gas chromatography coupled to triple quadrupole (MS/MS) and time of flight (TOF) mass spectrometers with atmospheric pressure ionization (API) and traditional electron ionization (EI) for dioxin and furan analysis is emerging as a viable alternative to GC-HRMS screening. These instruments offer greater versatility in the lab for a wider range of compound identification and quantification as well as improved ease of operation...
March 25, 2018: Journal of Mass Spectrometry: JMS
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