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Journal of the American Society for Mass Spectrometry

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https://www.readbyqxmd.com/read/28337658/erratum-to-analysis-of-monoclonal-antibodies-in-human-serum-as-a-model-for-clinical-monoclonal-gammopathy-by-use-of-21-tesla-ft-icr-top-down-and-middle-down-ms-ms
#1
Lidong He, Lissa C Anderson, David R Barnidge, David L Murray, Christopher L Hendrickson, Alan G Marshall
No abstract text is available yet for this article.
March 23, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28326462/study-of-electron-ionization-and-fragmentation-of-non-hydrated-and-hydrated-tetrahydrofuran-clusters
#2
Michael Neustetter, Masoomeh Mahmoodi-Darian, Stephan Denifl
Mass spectroscopic investigations on tetrahydrofuran (THF, C4H8O), a common model molecule of the DNA-backbone, have been carried out. We irradiated isolated THF and (hydrated) THF clusters with low energy electrons (electron energy ~70 eV) in order to study electron ionization and ionic fragmentation. For elucidation of fragmentation pathways, deuterated TDF (C4D8O) was investigated as well. One major observation is that the cluster environment shows overall a protective behavior on THF. However, also new fragmentation channels open in the cluster...
March 21, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28315238/comprehensive-gas-phase-peptide-ion-structure-studies-using-ion-mobility-techniques-part-2-gas-phase-hydrogen-deuterium-exchange-for-ion-population-estimation
#3
Mahdiar Khakinejad, Samaneh Ghassabi Kondalaji, Amirmahdi Tafreshian, Stephen J Valentine
Gas-phase hydrogen/deuterium exchange (HDX) using D2O reagent and collision cross-section (CCS) measurements are utilized to monitor the ion conformers of the model peptide acetyl-PAAAAKAAAAKAAAAKAAAAK. The measurements are carried out on a home-built ion mobility instrument coupled to a linear ion trap mass spectrometer containing electron transfer dissociation (ETD) capabilities. ETD is utilized to obtain per-residue deuterium uptake data for select ion conformers, and a new algorithm is presented for interpreting the HDX data...
March 17, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28315237/sits-derivatization-of-peptides-to-enhance-266%C3%A2-nm-ultraviolet-photodissociation-uvpd
#4
M Montana Quick, M Rachel Mehaffey, Robert W Johns, W Ryan Parker, Jennifer S Brodbelt
N-terminal derivatization of peptides with the chromogenic reagent 4-acetamido-4-isothiocyanatostilbene-2,2-disulfonic acid (SITS) is demonstrated to enhance the efficiency of 266 nm ultraviolet photodissociation (UVPD). Attachment of the chromophore results in a mass shift of 454 Da and provides significant gains in the number and abundances of diagnostic fragment ions upon UVPD. Activation of SITS-tagged peptides with 266 nm UVPD leads to many fragment ions akin to the a/b/y ions commonly produced by CID, along with other sequence ions (c, x, and z) typically accessed through higher energy pathways...
March 17, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28315236/detection-of-ketones-by-a-novel-technology-dipolar-proton-transfer-reaction-mass-spectrometry-dp-ptr-ms
#5
Yue Pan, Qiangling Zhang, Wenzhao Zhou, Xue Zou, Hongmei Wang, Chaoqun Huang, Chengyin Shen, Yannan Chu
Proton transfer reaction mass spectrometry (PTR-MS) has played an important role in the field of real-time monitoring of trace volatile organic compounds (VOCs) due to its advantages such as low limit of detection (LOD) and fast time response. Recently, a new technology of proton extraction reaction mass spectrometry (PER-MS) with negative ions OH(-) as the reagent ions has also been presented, which can be applied to the detection of VOCs and even inorganic compounds. In this work, we combined the functions of PTR-MS and PER-MS in one instrument, thereby developing a novel technology called dipolar proton transfer reaction mass spectrometry (DP-PTR-MS)...
March 17, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28315235/identification-and-quantitation-of-malonic-acid-biomarkers-of-in-born-error-metabolism-by-targeted-metabolomics
#6
Chandra Shekar R Ambati, Furong Yuan, Lutfi A Abu-Elheiga, Yiqing Zhang, Vivekananda Shetty
Malonic acid (MA), methylmalonic acid (MMA), and ethylmalonic acid (EMA) metabolites are implicated in various non-cancer disorders that are associated with inborn-error metabolism. In this study, we have slightly modified the published 3-nitrophenylhydrazine (3NPH) derivatization method and applied it to derivatize MA, MMA, and EMA to their hydrazone derivatives, which were amenable for liquid chromatography- mass spectrometry (LC-MS) quantitation. 3NPH was used to derivatize MA, MMA, and EMA, and multiple reaction monitoring (MRM) transitions of the corresponding derivatives were determined by product-ion experiments...
March 17, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28315234/ammonium-bicarbonate-addition-improves-the-detection-of-proteins-by-desorption-electrospray-ionization-mass-spectrometry
#7
Elahe Honarvar, Andre R Venter
The analysis of protein by desorption electrospray ionization mass spectrometry (DESI-MS) is considered impractical due to a mass-dependent loss in sensitivity with increase in protein molecular weights. With the addition of ammonium bicarbonate to the DESI-MS analysis the sensitivity towards proteins by DESI was improved. The signal to noise ratio (S/N) improvement for a variety of proteins increased between 2- to 3-fold relative to solvent systems containing formic acid and more than seven times relative to aqueous methanol spray solvents...
March 17, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28299715/assessment-of-reproducibility-of-laser-electrospray-mass-spectrometry-using-electrospray-deposition-of-analyte
#8
Habiballah Sistani, Santosh Karki, Jieutonne J Archer, Fengjian Shi, Robert J Levis
A nonresonant, femtosecond (fs) laser is employed to desorb samples of Victoria blue deposited on stainless steel or indium tin oxide (ITO) slides using either electrospray deposition (ESD) or dried droplet deposition. The use of ESD resulted in uniform films of Victoria blue whereas the dried droplet method resulted in the formation of a ring pattern of the dye. Laser electrospray mass spectrometry (LEMS) measurements of the ESD-prepared films on either substrate were similar and revealed lower average relative standard deviations for measurements within-film (20...
March 15, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28299714/adduct-formation-in-esi-ms-by-mobile-phase-additives
#9
Anneli Kruve, Karl Kaupmees
Adduct formation is a common ionization method in electrospray ionization mass spectrometry (ESI/MS). However, this process is poorly understood and complicated to control. We demonstrate possibilities to control adduct formation via mobile phase additives in ESI positive mode for 17 oxygen and nitrogen bases. Mobile phase additives were found to be a very effective measure for manipulating the formation efficiencies of adducts. An appropriate choice of additive may increase sensitivity by up to three orders of magnitude...
March 15, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28299713/isobar-separation-in-a-multiple-reflection-time-of-flight-mass-spectrometer-by-mass-selective-re-trapping
#10
Timo Dickel, Wolfgang R Plaß, Wayne Lippert, Johannes Lang, Mikhail I Yavor, Hans Geissel, Christoph Scheidenberger
A novel method for (ultra-)high-resolution spatial mass separation in time-of-flight mass spectrometers is presented. Ions are injected into a time-of-flight analyzer from a radio frequency (rf) trap, dispersed in time-of-flight according to their mass-to-charge ratios and then re-trapped dynamically in the same rf trap. This re-trapping technique is highly mass-selective and after sufficiently long flight times can provide even isobaric separation. A theoretical treatment of the method is presented and the conditions for optimum performance of the method are derived...
March 15, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28290125/reactive-landing-of-gramicidin-s-and-ubiquitin-ions-onto-activated-self-assembled-monolayer-surfaces
#11
Julia Laskin, Qichi Hu
Using mass-selected ion deposition combined with in situ infrared reflection absorption spectroscopy (IRRAS), we examined the reactive landing of gramicidin S and ubiquitin ions onto activated self-assembled monolayer (SAM) surfaces terminated with N-hydroxysuccinimidyl ester (NHS-SAM) and acyl fluoride (COF-SAM) groups. Doubly protonated gramicidin S, [GS + 2H](2+), and two charge states of ubiquitin, [U + 5H](5+) and [U + 13H](13+), were used as model systems, allowing us to explore the effect of the number of free amino groups and the secondary structure on the efficiency of covalent bond formation between the projectile ion and the surface...
March 13, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28290124/the-characterization-of-laser-ablation-patterns-and-a-new-definition-of-resolution-in-matrix-assisted-laser-desorption-ionization-imaging-mass-spectrometry-maldi-ims
#12
Matthew B O'Rourke, Benjamin B A Raymond, Matthew P Padula
Matrix assisted laser desorption ionization imaging mass spectrometry (MALDI-IMS) is a technique that has seen a sharp rise in both use and development. Despite this rapid adoption, there have been few thorough investigations into the actual physical mechanisms that underlie the acquisition of IMS images. We therefore set out to characterize the effect of IMS laser ablation patterns on the surface of a sample. We also concluded that the governing factors that control spatial resolution have not been correctly defined and therefore propose a new definition of resolution...
March 13, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28283928/estimating-the-efficiency-of-phosphopeptide-identification-by-tandem-mass-spectrometry
#13
Chuan-Chih Hsu, Liang Xue, Justine V Arrington, Pengcheng Wang, Juan Sebastian Paez Paez, Yuan Zhou, Jian-Kang Zhu, W Andy Tao
Mass spectrometry has played a significant role in the identification of unknown phosphoproteins and sites of phosphorylation in biological samples. Analyses of protein phosphorylation, particularly large scale phosphoproteomic experiments, have recently been enhanced by efficient enrichment, fast and accurate instrumentation, and better software, but challenges remain because of the low stoichiometry of phosphorylation and poor phosphopeptide ionization efficiency and fragmentation due to neutral loss. Phosphoproteomics has become an important dimension in systems biology studies, and it is essential to have efficient analytical tools to cover a broad range of signaling events...
March 10, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28265969/on-the-sims-ionization-probability-of-organic-molecules
#14
Nicholas J Popczun, Lars Breuer, Andreas Wucher, Nicholas Winograd
The prospect of improved secondary ion yields for secondary ion mass spectrometry (SIMS) experiments drives innovation of new primary ion sources, instrumentation, and post-ionization techniques. The largest factor affecting secondary ion efficiency is believed to be the poor ionization probability (α(+)) of sputtered material, a value rarely measured directly, but estimated to be in some cases as low as 10(-5). Our lab has developed a method for the direct determination of α(+) in a SIMS experiment using laser post-ionization (LPI) to detect neutral molecular species in the sputtered plume for an organic compound...
March 6, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28265968/expanding-lipidome-coverage-using-lc-ms-ms-data-dependent-acquisition-with-automated-exclusion-list-generation
#15
Jeremy P Koelmel, Nicholas M Kroeger, Emily L Gill, Candice Z Ulmer, John A Bowden, Rainey E Patterson, Richard A Yost, Timothy J Garrett
Untargeted omics analyses aim to comprehensively characterize biomolecules within a biological system. Changes in the presence or quantity of these biomolecules can indicate important biological perturbations, such as those caused by disease. With current technological advancements, the entire genome can now be sequenced; however, in the burgeoning fields of lipidomics, only a subset of lipids can be identified. The recent emergence of high resolution tandem mass spectrometry (HR-MS/MS), in combination with ultra-high performance liquid chromatography, has resulted in an increased coverage of the lipidome...
March 6, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28255747/mapping-the-binding-interface-of-vegf-and-a-monoclonal-antibody-fab-1-fragment-with-fast-photochemical-oxidation-of-proteins-fpop-and-mass-spectrometry
#16
Ying Zhang, Aaron T Wecksler, Patricia Molina, Galahad Deperalta, Michael L Gross
We previously analyzed the Fab-1:VEGF (vascular endothelial growth factor) system described in this work, with both native top-down mass spectrometry and bottom-up mass spectrometry (carboxyl-group or GEE footprinting) techniques. This work continues bottom-up mass spectrometry analysis using a fast photochemical oxidation of proteins (FPOP) platform to map the solution binding interface of VEGF and a fragment antigen binding region of an antibody (Fab-1). In this study, we use FPOP to compare the changes in solvent accessibility by quantitating the extent of oxidative modification in the unbound versus bound states...
March 2, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28251574/dapne-with-micro-capillary-separatory-chemistry-coupled-to-maldi-ms-for-the-analysis-of-polar-and-non-polar-lipid-metabolism-in-one-cell
#17
Jason S Hamilton, Roberto Aguilar, Robby A Petros, Guido F Verbeck
The cellular metabolome is considered to be a representation of cellular phenotype and cellular response to changes to internal or external events. Methods to expand the coverage of the expansive physiochemical properties that makeup the metabolome currently utilize multi-step extractions and chromatographic separations prior to chemical detection, leading to lengthy analysis times. In this study, a single-step procedure for the extraction and separation of a sample using a micro-capillary as a separatory funnel to achieve analyte partitioning within an organic/aqueous immiscible solvent system is described...
March 1, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28251573/molecular-structures-and-momentum-transfer-cross-sections-the-influence-of-the-analyte-charge-distribution
#18
Meggie N Young, Christian Bleiholder
Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas...
March 1, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28247297/analysis-of-monoclonal-antibodies-in-human-serum-as-a-model-for-clinical-monoclonal-gammopathy-by-use-of-21-tesla-ft-icr-top-down-and-middle-down-ms-ms
#19
Lidong He, Lissa C Anderson, David R Barnidge, David L Murray, Christopher L Hendrickson, Alan G Marshall
With the rapid growth of therapeutic monoclonal antibodies (mAbs), stringent quality control is needed to ensure clinical safety and efficacy. Monoclonal antibody primary sequence and post-translational modifications (PTM) are conventionally analyzed with labor-intensive, bottom-up tandem mass spectrometry (MS/MS), which is limited by incomplete peptide sequence coverage and introduction of artifacts during the lengthy analysis procedure. Here, we describe top-down and middle-down approaches with the advantages of fast sample preparation with minimal artifacts, ultrahigh mass accuracy, and extensive residue cleavages by use of 21 tesla FT-ICR MS/MS...
February 28, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28247296/detection-of-metastatic-breast-and-thyroid-cancer-in-lymph-nodes-by-desorption-electrospray-ionization-mass-spectrometry-imaging
#20
Jialing Zhang, Clara L Feider, Chandandeep Nagi, Wendong Yu, Stacey A Carter, James Suliburk, Hop S Tran Cao, Livia S Eberlin
Ambient ionization mass spectrometry has been widely applied to image lipids and metabolites in primary cancer tissues with the purpose of detecting and understanding metabolic changes associated with cancer development and progression. Here, we report the use of desorption electrospray ionization mass spectrometry (DESI-MS) to image metastatic breast and thyroid cancer in human lymph node tissues. Our results show clear alterations in lipid and metabolite distributions detected in the mass spectra profiles from 42 samples of metastatic thyroid tumors, metastatic breast tumors, and normal lymph node tissues...
February 28, 2017: Journal of the American Society for Mass Spectrometry
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