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Rapid Communications in Mass Spectrometry: RCM

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https://www.readbyqxmd.com/read/28523846/a-novel-rapid-analysis-using-mass-spectrometry-to-evaluate-downstream-refolding-of-recombinant-human-insulin-like-growth-factor-1-mecasermin
#1
Kenichiro Furuki, Toshimasa Toyo'oka, Hideto Yamaguchi
RATIONALE: Mecasermin is used to treat elevated blood sugar as well as growth hormone-resistant Laron-type dwarfism. Mecasermin isolated from inclusion bodies in extracts of E.coli must be refolded to acquire sufficient activity. However, there is no rapid analytical method for monitoring refolding during the purification process. METHODS: We prepared mecasermin drug product, in-process samples during the oxidation of mecasermin, forced-reduced mecasermin, and aerially oxidized mecasermin after forced reduction...
May 19, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28514513/comprehensive-database-of-manufactured-gas-plant-tars-part-c-heterocyclic-and-hydroxylated-pahs
#2
Christopher Gallacher, Russell Thomas, Richard Lord, Robert M Kalin, Chris Taylor
RATIONALE: Coal tars are a mixture of organic and inorganic compounds and were by-products from the manufactured gas and coke making industries. The tar compositions varied depending on many factors such as the temperature of production and the type of retort used. For this reason a comprehensive database of the compounds found in different tar types is of value to understand both how their compositions differ and what potential chemical hazards are present. This study focuses on the heterocyclic and hydroxylated compounds present in a database produced from 16 different tars from 5 different production processes...
May 17, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28508503/expanding-analytical-options-in-sports-drug-testing-mass-spectrometric-detection-of-prohibited-substances-in-exhaled-breath
#3
Mario Thevis, Oliver Krug, Hans Geyer, Wilhelm Schänzer
RATIONALE: Continuously refining and advancing the strategies and methods employed in sports drug testing is critical for efficient doping controls. Besides improving and expanding the spectrum of target analytes, alternative test matrices have warranted in-depth evaluation as they commonly allow for minimal-/non-invasive and non-intrusive sample collection. In this study, the potential of exhaled breath (EB) as doping control specimen was assessed. METHODS: EB collection devices employing a non-woven electret-based air filter unit were used to generate test specimens, simulating a potential future application in doping controls...
May 16, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28499062/compound-annotation-in-lc-hrms-based-metabolomics-robust-adduct-ion-determination-as-a-prerequisite-to-structure-prediction-in-electrospray-ionization-mass-spectra
#4
Carsten Jaeger, Michaël Méret, Clemens A Schmitt, Jan Lisec
RATIONALE: A bottleneck in metabolic profiling of complex biological extracts is confident, non-supervised annotation of ideally all contained, chemically highly diverse small molecules. Recent computational strategies combining sum formula prediction with in silico fragmentation achieve confident de novo annotation, once the correct neutral mass of a compound is known. Current software solutions for automated adduct ion assignment, however, are either publicly unavailable or have been validated against only few experimental electrospray ionization (ESI) mass spectra...
May 12, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28494122/comprehensive-database-of-manufactured-gas-plant-tars-part-b-aliphatic-and-aromatic-compounds
#5
Christopher Gallacher, Russell Thomas, Richard Lord, Robert M Kalin, Chris Taylor
RATIONALE: Coal tars are a mixture of organic and inorganic compounds and were produced as a by-product from the manufactured gas and coke making industries. The composition of the tar produced varied depending on many factors; these include the temperature of production and the type of retort used. As different production processes produce different tars, a comprehensive database of the compounds present within coal tars from different production processes is a valuable resource. Such a database would help to understand how their chemical properties differ and what hazards the compounds present within these tars might pose...
May 11, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28493365/polymeric-spatial-resolution-test-patterns-for-mass-spectrometry-imaging-using-nano-thermal-analysis-with-atomic-force-microscopy
#6
Tamin Tai, Vilmos Kertesz, Ming-Wei Lin, Bernadeta R Srijanto, Dale Hensley, Kai Xiao, Gary J Van Berkel
RATIONALE: As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This paper describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging. METHODS: Test patterns of varied line width (0...
May 11, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28488792/comprehensive-database-of-manufactured-gas-plant-tars-part-a-database
#7
Christopher Gallacher, Russell Thomas, Richard Lord, Robert M Kalin, Chris Taylor
RATIONALE: Coal tars are a mixture of organic and inorganic compounds and were by-products from the manufactured gas and coke making industries. Different manufacturing processes have resulted in the production of distinctly different tar compositions. This study presents a comprehensive database of compounds produced using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS), analysing 16 tar samples produced by 5 distinct production processes...
May 10, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28488771/fluorinated-surfaces-smart-substrates-for-matrix-free-laser-desorption-ionization
#8
LETTER
Chiara Piotto, Graziano Guella, Paolo Bettotti
No abstract text is available yet for this article.
May 10, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28488747/uplc-mrm-ms-quantification-of-trastuzumab-in-human-serum-by-selective-monitoring-of-a-specific-peptide-marker-from-the-antibody-complementarity-determining-regions
#9
R Russo, C Rega, A Caporale, G Tonon, S Scaramuzza, F Selis, M Ruvo, A Chambery
RATIONALE: Because of the large molecular weight, of the structural complexity and the similarity with endogenous immunoglobulins present in high concentrations, in vivo quantitative studies with therapeutic monoclonal antibodies are particularly challenging. In this work, an UPLC/MRM MS-based methodology is described for the quantification of Trastuzumab in human serum by monitoring a novel specific peptide marker located within its heavy chain Complementarity-Determining Region (CDR)...
May 10, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28488739/reducing-contamination-parameters-for-clumped-isotope-analysis-the-effect-of-lowering-porapak%C3%A2-q-trap-temperature-to-below-50%C3%A2-c
#10
Amelia J Davies, Cédric M John
RATIONALE: Carbonate clumped isotope thermometry examines the thermodynamic preference of (13) C-(18) O bonds to form within the carbonate crystal lattice. The (13) C(18) O(16) O isotopologue in analyte CO2 has a natural abundance of 44.4 ppm necessitating stringent purification procedures to remove contaminant molecules that may produce significant isobaric effects within range of the mass 47 isotopologue. Strict purifications of analyte CO2 are thus required as well as reliable contamination indicators...
May 10, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28488735/termite-an-r-script-for-fast-reduction-of-la-icpms-data-and-its-application-to-trace-element-measurements
#11
Simon A Mischel, Regina Mertz-Kraus, Klaus Peter Jochum, Denis Scholz
RATIONALE: High spatial resolution Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICPMS) determination of trace element concentrations is of great interest for geological and environmental studies. Data reduction is a very important aspect of LA-ICP-MS, and several commercial programs for handling LA-ICPMS trace element data are available. Each of these software packages has its specific advantages and disadvantages. METHODS: Here we present TERMITE, an R script for the reduction of LA-ICPMS data, which can reduce both spot and line scan measurements...
May 10, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28488287/design-for-the-transfer-of-a-validated-lc-ms-ms-analytical-method-for-the-determination-of-antimicrobial-residues-in-honey-from-low-resolution-to-high-resolution-mass-spectrometry
#12
Khaled E L Hawari, Mohamad A L Iskandarani, Sophie Mompelat, Dominique Hurtaud-Pessel, Eric Verdon
RATIONALE: This paper investigates the validity of the transfer of a Liquid Chromatography tandem Mass Spectrometry (LC-MS/MS) method for the determination of veterinary medicinal products in honey and compared to an LC- Linear Ion Trap/Orbitrap Mass Spectrometry method. Descriptive statistical approach was performed in order to assess if such transfer may succeed or fail. This approach is based on the simultaneous evaluation of the trueness and of the intermediate precision for each compound at a 95% interval of confidence of both analytical techniques...
May 10, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28475280/high-temperature-mass-spectrometric-study-of-the-vaporization-processes-and-thermodynamic-properties-in-the-gd2-o3-y2-o3-hfo2-system
#13
Eugene N Kablov, Valentina L Stolyarova, Sergey I Lopatin, Viktor A Vorozhtcov, Fedor N Karachevtsev, Yuriy I Folomeikin
RATIONALE: The refractory properties of the Gd2 O3 -Y2 O3 -HfO2 system are considered promising for the production of many high-temperature materials, e.g., thermal barrier coatings and casting molds for gas turbine engine blades. At high temperatures, components of the Gd2 O3 -Y2 O3 -HfO2 system may vaporize selectively and this may significantly change the physicochemical properties of the materials. Therefore, information on vaporization processes and thermodynamic properties of the Gd2 O3 -Y2 O3 -HfO2 system is of great importance...
May 5, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28475227/re-evaluation-of-the-hydrogen-stable-isotopic-composition-of-keratin-calibration-standards-for-wildlife-and-forensic-science-applications
#14
David X Soto, Geoff Koehler, Leonard I Wassenaar, Keith A Hobson
RATIONALE: Determination of non-exchangeable hydrogen isotopic compositions (δ(2) H values) of bulk complex organic materials is difficult due to uncontrolled H isotope exchange between the organic material and ambient water vapor. A number of calibration keratinous materials with carefully measured hydrogen isotopic compositions of the non-exchangeable fraction were proposed to enable stable isotope laboratories to normalize their (2) H measurements. However, it was recently reported that high temperature carbon-reactor methods for measuring the hydrogen isotopic composition of nitrogenous organic materials is biased by the production of HCN in the reactor...
May 5, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28466567/do-we-excrete-what-we-eat-analysis-of-stable-nitrogen-isotope-ratios-of-human-urinary-urea
#15
Frank Huelsemann, Karsten Koehler, Ulrich Flenker, Wilhelm Schaenzer
RATIONALE: Natural stable nitrogen isotope ratios (δ(15) N values) are frequently used for the determination of provenance and dietary assessment of recent and ancient humans. Although individual δ(15) N values typically correspond to the dietary δ(15) N composition, they are also affected by metabolic conditions. Preferred matrices for the mesurement of human δ(15) N values have been hair, nail or blood. The goal of this study was to validate a novel approach for the assessment of the δ(15) N values from urinary urea, the principal end-product of human N metabolism...
May 3, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28455886/optimization-of-electrospray-ionization-conditions-to-enhance-formation-of-doubly-protonated-peptide-ions-with-and-without-addition-of-chromium-iii
#16
Juliette J Commodore, Xinyao Jing, Carolyn J Cassady
RATIONALE: Production of multiply protonated ions by electrospray ionization (ESI) is important to the analysis of peptides by mass spectrometry. For small neutral and acidic peptides, addition of chromium(III) greatly increases the intensity of doubly protonated ions. The current study examines instrumental and solution parameters that maximize peptide ion charge by ESI. METHODS: The neutral and basic heptapeptides AAAAAAA (A7) and AAAKAAA (A3KA3) were used as test compounds and electrosprayed from a solution containing chromium(III) nitrate at a peptide to metal molar ratio of 1:10...
April 29, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28455852/practical-application-of-in-silico-fragmentation-based-residue-screening-with-ion-mobility-high-resolution-mass-spectrometry
#17
Anton Kaufmann, Patrick Butcher, Kathry Maden, Stephan Walker, Mirjam Widmer
RATIONALE: A screening concept for residues in complex matrices based on liquid chromatography coupled to ion mobility-high resolution mass spectrometry LC-IMS-HRMS is presented. The comprehensive four dimensional data (chromatographic retention time, drift time, mass to charge and ion abundance) obtained in data independent (DIA) acquisition mode was used for data mining. An in silico fragmenter utilizing a molecular structure database was used for suspect screening, instead of targeted screening with reference substances...
April 29, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28444908/micelles-of-the-chiral-biocompatible-surfactant-1r-2s-dodecyl-2-hydroxy-1-methyl-2-phenylethyl-dimethylammonium-bromide-dmeb-molecular-dynamics-and-fragmentation-patterns-in-gas-phase
#18
David Bongiorno, Serena Indelicato, Leopoldo Ceraulo, Ugo Perricone, Valentina Calabrese, Anna Maria Almerico, Vincenzo Turco Liveri, Marco Tutone
RATIONALE: The study of self-assembly process of surfactant molecules in gas phase is of actually interest for several theoretical and technological reasons related to their possible exploitation as drug carriers, protein shields and cleaning agents in gas phase. METHODS: Stability and fragmentation patterns of singly and multiply charged (either positively or negatively) aggregates of the surfactant (1R,2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl) dimethyl ammonium bromide (DMEB) in gas phase have been studied by ion mobility mass spectrometry and tandem mass spectrometry...
April 26, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28440576/new-cascarosides-from-rhamnus-purshiana-and-fragmentation-studies-of-the-class-by-it-ms
#19
Daniel P Demarque, Danielle R Pinho, Daniel R Callejon, Gibson G de Oliveira, Denise B Silva, Carlos A Carollo, Norberto P Lopes
RATIONALE: Anthrone and oxanthrone are important anthraquinone derivatives present in medicinal plants and are used in therapeutics as laxatives. Some of these plants need to be stored at least one year before they can be used in order to oxidize anthrones into oxanthrones, so to avoid severe diarrhea and dehydration. Therefore, this work aimed to characterize fragmentation reactions between these anthraquinones to provide an easy way to differentiate between the two classes, since it is necessary and important to discriminate and identify these derivatives in laxative plants and phytotherapic drugs...
April 25, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28440570/mass-spectrometric-characterization-of-the-selective-androgen-receptor-modulator-sarm-yk-11-for-doping-control-purposes
#20
Mario Thevis, Thomas Piper, Josef Dib, Andreas Lagojda, Dirk Kuehne, Lars Packschies, Hans Geyer, Wilhelm Schaenzer
RATIONALE: Selective androgen receptor modulators (SARMs) represent an emerging class of therapeutics targeting inter alia conditions referred to as cachexia and sarcopenia. Due to their anabolic properties, the use of SARMs is prohibited in sports as regulated by the World Anti-Doping Agency (WADA), and doping control laboratories test for these anabolic agents in blood and urine. In order to accomplish and maintain comprehensive test methods, the characterization of new drug candidates is critical for efficient sports drug testing...
April 25, 2017: Rapid Communications in Mass Spectrometry: RCM
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