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European Journal of Mass Spectrometry

Yury Kostyukevich, Ludmila Borisova, Alexey Kononikhin, Igor Popov, Eugene Kukaev, Eugene Nikolaev
We report an approach to study volatile organic compounds based on thermal desorption combined with atmospheric pressure photo ionization. The approach allows the sequential evaporation of different fractions of the sample, which simplifies the mass spectrum. We have applied the developed method for the detection of petroleum in vegetable oil. We have shown that in the negative mode, ions of fatty acids corresponding to vegetable oil dominates, while in the positive mode under relatively low temperature the light fraction of petroleum rapidly evaporates making it easy detectable...
2016: European Journal of Mass Spectrometry
Eugenii N Kukaev, Alexey S Kononikhin, Natalia L Starodubtseva, Yury I Kostyukevich, Igor A Popova, Vitaliy Chagovets, Konstantin O Nagornov, Eugene N Nikolaev
A novel atmospheric pressure thermal ionization (APTI) ion source was developed for the analysis of liquid samples. The feasibility of the ion source was demonstrated on peptides using two configurations-assisted by hot wire or hot surface. Microalloyed molybdenum, used as a thermal ion- emitter, notably facilitated the formation of multiply-charged ions, but fragmentation products were still observed. Peptide fragmentation accompanying thermal ionization can be used for peptide identification. The described method is promising for studies of biological samples with minimal pre-treatment...
2016: European Journal of Mass Spectrometry
Peter C Burgers, John L Holmes, Johan K Terlouwc
The relative affinity of the monovalent metal ions Li(+), Na(+), Cu(+) and Ag(+) towards a series of aliphatic alkyl acetates and some selected 1-alkenes (P) was examined using the kinetic method. A detailed analysis of the dissociation characteristics of a series of mixed metal-bound dimer ions of the type P1-M(+)-P2 and the evaluated proton affinities (PAs) of the monomers shows that the affinity of the cation towards long-chain alkyl acetates and alkenes (having a chain length ≤ C4) is markedly enhanced...
2016: European Journal of Mass Spectrometry
Alexey A Sysoev, Sergey S Poteshin, Denis M Chernyshev, Alexander A Sysoev
An ion mobility time-of-flight mass spectrometry (IM-TOFMS)-based method has been preliminarily investigated for the identification of triphenylmethane ballpoint pen dyes on paper. The dyes were sampled from one-year-old ballpoint pen ink entries. The entries were written on paper documents stored in the dark in a bookcase. Sample solutions were prepared by extraction of dyes in a vial. Basic violet 2, Methyl violet 6B, Methyl violet 2B and Crystal violet were characterized by IM-TOFMS. Since the ballpoint ink dyes contain ionic compounds, the studied compounds were expected to form stable peaks in the atmospheric pressure drift tube ion mobility spectrometry, and this was experimentally verified...
2016: European Journal of Mass Spectrometry
Francesco Tisato, Valentina Peruzzo, Giulia Zanchetta, Sergio Tamburini, Pietro Traldi, Marina Porchia
Tetrahedral [Cu(P)4][BF4]-type complexes (P = tertiary phosphine) are a class of monopositively charged compounds that have shown notable antitumor activity in both in vitro and in vivo tests. This biological property appears to be related to the peculiar physicochemical characteristics of these compounds. Although thermodynamically stable, they are labile at micromolar concentrations. Such a behavior allows the Cu(I) ion in [Cu(P)n](+) assemblies (n < 4) to interact with surrounding molecules, including the rich peptide/protein environment that metal complexes have to face in the physiological milieu on the way to tumor cells...
2016: European Journal of Mass Spectrometry
Anna Drabik, Joanna Ner-Kluza, Anna Bodzon-Kulakowska, Piotr Suder
Improvements in proteomic strategies from the development of new and robust separation and identification techniques have led to broad applications of proteomics to solve numerous biological questions. For all analyses, sample quality is unquestionably a critical factor; therefore protein extraction is of outmost importance. The ideal extraction method should provide reproducible spectra of the most comprehensive repertoire of proteins, while minimizing sample loss and degradation. It is already known that to capture the whole proteome is an unenforceable task...
2016: European Journal of Mass Spectrometry
Alice Passoni, Marco Vighi, Enrico Davoli, Roberto Fanelli, Renzo Bagnati
An automated online solid-phase extraction-liquid chromatography mass spectrometry (SPE-LC/MS) method was developed for the quantification of dithianon in surface water samples, using warfarin as internal standard. The method was developed on a liquid chromatography (LC) system with Flexible Cube interfaced to a quadrupole time-of-flight (Q-TOF) mass spectrometer. A small volume of acidified water (1 mL) was spiked with internal standard, pre-concentrated online on polymeric cartridges and analyzed by full-scan MS in high-resolution conditions...
2016: European Journal of Mass Spectrometry
Sonia Niculina Suvar, R Bleiziffer, P Podea, A Iordache, C Voica, R Zgavarogea, M Culea
A major cause of cardiovascular diseases and cancer is diet content, so the optimization of micronutrients in food is very important. Omega-3 fatty acids supplementation for patients had beneficial effects on subjective global assessment score and metabolic profiles. Fatty acids content and the metal ions in different seeds (e.g. linseed, poppy, grape, hemp, nuts, pumpkin, sesame, watermelon, chia) recommended as food supplements, purchased on the Romanian market, were compared. Gas chromatography coupled to mass spectrometry (GC-MS) was used as an excellent technique for fatty acids identification and quantitation, and inductively coupled plasma mass spectrometer (ICP-MS) for analytical measurements of metals...
2016: European Journal of Mass Spectrometry
Michał Cegłowski, Patrycja Balcerzak, Rafał Frański, Grzegorz Schroeder
The electrospray ionization mass spectrometry competitive method has been used for the determination of the conditional stability constants of phytic acid complexes with Mg(2+), Ca(2+) and Zn(2+) ions. The competing complexation between ethylenediaminetetraacetic acid (EDTA) and phytic acid was studied. For EDTA complexes with Mg(2+), Ca(2+) and Zn(2+) ions, the values of the conditional stability constants are known and were used for the calculation of this constant for the phytic acid complexes. The values obtained are in agreement with the literature data...
2016: European Journal of Mass Spectrometry
Marta Menicatti, Luca Guandalini, Silvia Dei, Elisa Floriddia, Elisabetta Teodori, Pietro Traldi, Gianluca Bartolucci
A series of N-alkanol-N-cyclohexanol amine aryl esters cis/trans isomers that showed high efficacy to reverse the acquired resistance of cancer cells during chemotherapeutic therapy (MDR mechanism) was studied. These compounds were two 1,4 cyclohexane cis/trans derivatives (named ELF26A and ELF26B, respectively), and their positional isomers (named ELF34A and ELF34B, respectively) where the aryl-moieties were exchanged. In order to evaluate the behaviour of these compounds during biological tests, a method based on liquid chromatography coupled with mass spectrometry (LC-MS), operating in tandem mass spectrometry (MS/MS) mode, was developed...
2016: European Journal of Mass Spectrometry
Anna Bodzon-Kulakowska, Marta Marszalek-Grabska, Anna Antolak, Anna Drabik, Jolanta H Kotlinska, Piotr Suder
Data analysis from mass spectrometry imaging (MSI) imaging experiments is a very complex task. Most of the software packages devoted to this purpose are designed by the mass spectrometer manufacturers and, thus, are not freely available. Laboratories developing their own MS-imaging sources usually do not have access to the commercial software, and they must rely on the freely available programs. The most recognized ones are BioMap, developed by Novartis under Interactive Data Language (IDL), and Datacube, developed by the Dutch Foundation for Fundamental Research of Matter (FOM-Amolf)...
2016: European Journal of Mass Spectrometry
Sara D'Aronco, Eleonora Calandra, Sara Crotti, Giuseppe Toffoli, Elena Marangon, Bianca Posocco, Pietro Traldi, Marco Agostini
Drug levels in patients' bloodstreams vary among individuals and consequently therapeutic drug monitoring (TDM) is fundamental to controlling the effective therapeutic range. For TDM purposes, different analytical approaches have been used, mainly based on immunoassay, liquid chromatography- ultraviolet, liquid chromatography-mass spectrometry and liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods. More recently a matrix-assisted laser desorption/ionisation method has been proposed for the determination of irinotecan levels in the plasma of subjects under therapy and this method has been cross- validated by comparison with data achieved by LC-MS/MS...
2016: European Journal of Mass Spectrometry
P Mielczarek, J Silberring, M Smoluch
In the present study we tested the application of compressed air instead of pure nitrogen as the nebulizing and drying gas, and its influence on the quality of electrospray ionization (ESI) mass spectra. The intensities of the signals corresponding to protonated molecules were significantly (twice) higher when air was used. Inspection of signal-to-noise (S/N) ratios revealed that, in both cases, sensitivity was comparable. A higher ion abundance after the application of compressed air was followed by a higher background...
2016: European Journal of Mass Spectrometry
Mattia Bartoli, Luca Rosi, Marco Frediani, Piero Frediani
A new and simple protocol for quantitative analysis of bio-oils using gas-chromatography/mass spectrometry is suggested. Compounds were identified via their mass spectra, and then unavailable response factors were calculated with respect to diphenyl as the internal standard using a modified method previously suggested for gas chromatography with flame ionization detection. This new protocol was applied to the characterization of bio-oils obtained from the pyrolysis of woods of different sources or using different pyrolysis procedures...
2016: European Journal of Mass Spectrometry
Raffaella Pascale, Gerarda Grossi, Gabriele Cruciani, Giansalvatore Mecca, Donatello Santoro, Renzo Sarli Calace, Patrizia Falabella, Giuliana Bianco
Sequence protein identification by a randomized sequence database and transcriptome mass spectrometry software package has been developed at the University of Basilicata in Potenza (Italy) and designed to facilitate the determination of the amino acid sequence of a peptide as well as an unequivocal identification of proteins in a high-throughput manner with enormous advantages of time, economical resource and expertise. The software package is a valid tool for the automation of a de novo sequencing approach, overcoming the main limits and a versatile platform useful in the proteomic field for an unequivocal identification of proteins, starting from tandem mass spectrometry data...
2016: European Journal of Mass Spectrometry
A Ramesh Babu, G Raju, C Purna Chander, B Shoban Babu, R Srinivas, G V M Sharma
A new class of Boc-N-protected hybrid peptides derived from L- Ala and ε(6)-Caa (L-Ala = L-Alanine, Caa = C-linked carboamino acid derived from D-xylose) have been studied by positive ion electrospray ionization (ESI) ion-trap tandem mass spectrometry (MS/MS). MS(n) spectra of protonated and alkali-cationized hybrid peptides produce characteristic fragmentation involving the peptide backbone, the tert-butyloxycarbonyl (Boc) group, and the side chain. The dipeptide positional isomers are differentiated by the collision-induced dissociation (CID) of the protonated and alkali-cationized peptides...
2016: European Journal of Mass Spectrometry
Magdalena Frańska
The complexes between the lead cation and deprotonated nucleobases (and deprotonated nucleosides) are studied by using electrospray ionization-collision-induced dissociation-tandem mass spectrometry. It has been found that the deprotonated N9 atom is not the site of lead cation attachment. In ions [A - H + Pb](+) and [C - H + Pb](+), the lead cation is coordinated by the adenine N1 atom and cytosine  N3 atom and interaction between the lead cation and deprotonated amino groups seems very likely. Deprotonated thymine shows a higher affinity toward lead cation than deprotonated uracil...
2016: European Journal of Mass Spectrometry
Amie Saidykhan, Jenessa Ebert, William H C Martin, Richard T Gallagher, Richard D Bowen
The positive ion electrospray mass spectra of a range of sulphonamides of general structure CH3C6H4SO2NHR1 [R1 = CnH2n(+1) (n = 1-7), CnH2n-1 (n = 3, 4), C6H5, C6H5CH2 and C6H5CH(CH3)] and CH3C6H4SO2NR1R(2) [R(1), R(2) = CnH2n+1 (n = 1-8)] are reported and discussed. The protonated sulphonamides derived from saturated primary and secondary aliphatic amines generally fragment to only a limited extent unless energised by collision. Two general fragmentations are observed: firstly, elimination of an alkene, CnH2n, obtained by hydrogen abstraction from one of the CnH2n+1 alkyl groups on nitrogen; secondly, cleavage to form CH3C6H4SO2+...
2016: European Journal of Mass Spectrometry
Catherine Chambers-Bédard, Brian M Ross
The quantification of trace compounds in alcoholic beverages is a useful means to both investigate the chemical basis of beverage flavor and to facilitate quality control during the production process. One compound of interest is methanol which, due to it being toxic, must not exceed regulatory limits. The analysis of headspace gases is a desirable means to do this since it does not require direct sampling of the liquid material. One established means to conduct headspace analysis is selected ion flow tube mass spectrometry (SIFT-MS)...
2016: European Journal of Mass Spectrometry
Dmitry I Zhilyaev, Roman S Borisov, Nikolai Yu Polovkov, Vladimir G Zaikin
Reaction with α,ω-N,N-dimethylaminoalkylamines (2-dimethylaminoethylamine, 3- dimethylaminopropylamine, 4-dimethylaminobutylamine) to form Schiff bases followed by quaternization of the N,N-dimethylamino group by alkyl (deuteroalkyl) halides to generate fixed-charge fragments is suggested for the characterization of carbonyl compounds by matrix-assisted laser desorption ionization (MALDI) mass spectrometry. As model objects, some aliphatic aldehydes and alicyclic and steroid ketones were involved in the modification...
2016: European Journal of Mass Spectrometry
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