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1. Assessing the Impact of Drift Gas Polarizability in Polyatomic Ion Mobility Experiments

Author:
Cameron N. Naylor; Tobias Reinecke; Brian H. Clowers
Source:
Analytical chemistry 2020 v.92 no.6 pp. 4226-4234
ISSN:
1520-6882
Subject:
data collection; gases; helium; ions; models; nitrogen
Abstract:
... Due to the core assumptions of kinetic theory and the drive toward realizing reproducible gas-phase measurements, ion mobility experiments are commonly conducted in the presence of an inert, neat buffer gas, usually nitrogen or helium. Mixing drift gases in defined, static ratios can provide useful information not only for optimizing the separation of analytes but also for defining the interaction ...
DOI:
10.1021/acs.analchem.9b04468

2. Characterization of Steroids through Collision Cross Sections: Contribution of Quantum Chemistry Calculations

Author:
Jérôme Graton; Maykel Hernández-Mesa; Samuel Normand; Gaud Dervilly; Jean-Yves Le Questel; Bruno Le Bizec
Source:
Analytical chemistry 2020 v.92 no.8 pp. 6034-6042
ISSN:
1520-6882
Subject:
computer simulation; data collection; databases; density functional theory; gases; ionization; mass spectrometry; molecular conformation; steroids
Abstract:
... A wide range of collision cross section (CCS) databases for different families of compounds have recently been established from ion mobility mass spectrometry (IM-MS) measurements. Nevertheless, the need to validate these new data sets to provide the necessary confidence about the use of this parameter is increasingly expressed by the scientific community. If such a validation requires that comple ...
DOI:
10.1021/acs.analchem.0c00357

3. Stable Isotope Analysis of Intact Oxyanions Using Electrospray Quadrupole-Orbitrap Mass Spectrometry

Author:
Cajetan Neubauer; Antoine Crémière; Xingchen T. Wang; Nivedita Thiagarajan; Alex L. Sessions; Jess F. Adkins; Nathan F. Dalleska; Alexandra V. Turchyn; Josephine A. Clegg; Annie Moradian; Michael J. Sweredoski; Spiros D. Garbis; John M. Eiler
Source:
Analytical chemistry 2020 v.92 no.4 pp. 3077-3085
ISSN:
1520-6882
Subject:
gases; isotope labeling; mass spectrometry; nitrates; nitrogen; oxyanions; oxygen; phosphates; spectrometers; stable isotopes; sulfates; sulfur
Abstract:
... The stable isotopes of sulfate, nitrate, and phosphate are frequently used to study geobiological processes of the atmosphere, ocean, as well as land. Conventionally, the isotopes of these and other oxyanions are measured by isotope-ratio sector mass spectrometers after conversion into gases. Such methods are prone to various limitations on sensitivity, sample throughput, or precision. In addition ...
DOI:
10.1021/acs.analchem.9b04486

4. Top-Down Characterization of Denatured Proteins and Native Protein Complexes Using Electron Capture Dissociation Implemented within a Modified Ion Mobility-Mass Spectrometer

Author:
Jonathan P. Williams; Lindsay J. Morrison; Jeffery M. Brown; Joseph S. Beckman; Valery G. Voinov; Frederik Lermyte
Source:
Analytical chemistry 2020 v.92 no.5 pp. 3674-3681
ISSN:
1520-6882
Subject:
dissociation; electron transfer; gases; hemoglobin; ions; mass spectrometry; peptides; proteomics; spectrometers; structural biology
Abstract:
... Electron-based fragmentation methods have revolutionized biomolecular mass spectrometry, in particular native and top-down protein analysis. Here, we report the use of a new electromagnetostatic cell to perform electron capture dissociation (ECD) within a quadrupole/ion mobility/time-of-flight mass spectrometer. This cell was installed between the ion mobility and time-of-flight regions of the ins ...
DOI:
10.1021/acs.analchem.9b04763

5. Analyte-Tailored Controlled Atmosphere Improves Dielectric Barrier Discharge Ionization Mass Spectrometry Performance

Author:
Pascal Vogel; Ulrich Marggraf; Sebastian Brandt; Juan F. García-Reyes; Joachim Franzke
Source:
Analytical chemistry 2019 v.91 no.5 pp. 3733-3739
ISSN:
1520-6882
Subject:
atmospheric pressure; detection limit; gases; ionization; mass spectrometry; nitrogen; oxygen; perfluorocarbons; spectrometers
Abstract:
... Plasma sources in atmospheric pressure soft-ionization mass spectrometry have gained significant interest in recent years. As many of these sources are used under ambient air conditions, their interaction with the surrounding atmosphere plays an important role in the ionization pathway. This study focuses on the interaction between the plasma source and the surrounding atmosphere by connecting the ...
DOI:
10.1021/acs.analchem.9b00112

6. Bioinspired in Vitro Lung Airway Model for Inflammatory Analysis via Hydrophobic Nanochannel Membrane with Joint Three-Phase Interface

Author:
Li Mi; Jing Sui; Yafeng Wu; Geyu Liang; Yuanjian Zhang; Yuepu Pu; Ye Tian; Songqin Liu; Lei Jiang
Source:
Analytical chemistry 2019 v.91 no.24 pp. 15804-15810
ISSN:
1520-6882
Subject:
air pollution; aluminum oxide; benzene; cell culture; cell viability; exposure models; formaldehyde; gases; hydrophobicity; inflammation; interleukin-2; interleukin-6; lungs; nanopores; solubility; tumor necrosis factor-alpha
Abstract:
... Because of the extremely low solubility of gas pollution, elucidating the pathogenetic mechanism between air pollution and the lung inflammatory response has remained a significant challenge. Here, we develop a bioinspired nanoporous membrane (BNM) with a three-phase interface as a gas exposure model that mimicks the airway mechanism, gas molecules contacting with alveolar cells directly, enabling ...
DOI:
10.1021/acs.analchem.9b04114

7. Cataluminescence Coupled with Photoassisted Technology: A Highly Efficient Metal-Free Gas Sensor for Carbon Monoxide

Author:
Li Li; Chudong Wei; Hongjie Song; Yongsheng Yang; Ying Xue; Dongyan Deng; Yi Lv
Source:
Analytical chemistry 2019 v.91 no.20 pp. 13158-13164
ISSN:
1520-6882
Subject:
boron nitride; carbon monoxide; catalysts; catalytic activity; detection limit; gases; green chemistry; nanomaterials; oxidation; reaction mechanisms
Abstract:
... With the development of green chemistry, metal-free nanocatalysts have gradually substituted metal-based materials, causing widespread concern among researchers in many fields, especially in cataluminescence sensing, because of their long-term stability and environmental friendliness as well as low costs. Besides the catalysts, innovations of assistant technologies for cataluminescence are needed ...
DOI:
10.1021/acs.analchem.9b03452

8. Charge Reduction of Membrane Proteins in Native Mass Spectrometry Using Alkali Metal Acetate Salts

Author:
John T. Petroff; Ailing Tong; Lawrence J. Chen; Gregory T. Dekoster; Farha Khan; Jeff Abramson; Carl Frieden; Wayland W. L. Cheng
Source:
Analytical chemistry 2020 v.92 no.9 pp. 6622-6630
ISSN:
1520-6882
Subject:
Erwinia; acetates; detergents; gases; ion channels; ligands; lipids; mass spectrometry; polyethylene glycol; protein unfolding; salts
Abstract:
... Native mass spectrometry (MS) provides the capacity to monitor membrane protein complexes and noncovalent binding of ligands and lipids to membrane proteins. The charge states produced by native MS of membrane proteins often result in gas-phase protein unfolding or loss of noncovalent interactions. In an effort to reduce the charge of membrane proteins, we examined the utility of alkali metal salt ...
DOI:
10.1021/acs.analchem.0c00454

9. Collision Induced Unfolding Classifies Ligands Bound to the Integral Membrane Translocator Protein

Author:
Sarah M. Fantin; Kristine F. Parson; Shuai Niu; Jian Liu; Daniel A. Polasky; Sugyan M. Dixit; Shelagh M. Ferguson-Miller; Brandon T. Ruotolo
Source:
Analytical chemistry 2019 v.91 no.24 pp. 15469-15476
ISSN:
1520-6882
Subject:
gases; ionization; ligands; lipids; membrane proteins; protein unfolding; protoporphyrin; solvents; spectroscopy; surfactants; therapeutics
Abstract:
... Membrane proteins represent most current therapeutic targets, yet remain understudied due to their insolubility in aqueous solvents and generally low yields during purification and expression. Ion mobility-mass spectrometry and collision induced unfolding experiments have recently garnered attention as methods capable of directly detecting and quantifying ligand binding within a wide range of memb ...
DOI:
10.1021/acs.analchem.9b03208

10. Development and Optimization of an External-Membrane Introduction Photoionization Mass Spectrometer for the Fast Analysis of (Polycyclic)Aromatic Compounds in Environmental and Process Waters

Author:
Christian Gehm; Thorsten Streibel; Sven Ehlert; Detlef Schulz-Bull; Ralf Zimmermann
Source:
Analytical chemistry 2019 v.91 no.24 pp. 15547-15554
ISSN:
1520-6882
Subject:
aquatic environment; gases; ionization; ions; mass spectrometry; photons; polycyclic aromatic hydrocarbons; spectrometers
Abstract:
... The development of sensitive analytical techniques for the real-time detection of aromatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs) is of high importance, because of their impact on human health and the environment. A promising approach, regarding to direct determination of (P)AHs in aqueous samples, is resonance-enhanced multiphoton ionization (REMPI) coupled to external-mem ...
DOI:
10.1021/acs.analchem.9b03480

11. Establishing Signature Fragments for Identification and Sequencing of Dityrosine Cross-Linked Peptides Using Ultraviolet Photodissociation Mass Spectrometry

Author:
Soumya Mukherjee; Mengxuan Fang; W. Mei Kok; Eugene A. Kapp; Varsha J. Thombare; Romain Huguet; Craig A. Hutton; Gavin E. Reid; Blaine R. Roberts
Source:
Analytical chemistry 2019 v.91 no.19 pp. 12129-12133
ISSN:
1520-6882
Subject:
biomarkers; computer software; crosslinking; gases; ions; peptides; photolysis; post-translational modification; proteins; tandem mass spectrometry
Abstract:
... Dityrosine cross-linking of Aβ peptides and α-synuclein is increasingly becoming recognized as a biomarker of neuropathological diseases. However, there remains a need for the development of analytical methods that enable the specific and selective identification of dityrosine cross-linked proteins and peptides in complex biological samples. Here, we report that the gas-phase fragmentation of prot ...
DOI:
10.1021/acs.analchem.9b02986

12. Extending the Limit of Measurement for Dual H and O Isotope Ratios Using Thermolysis

Author:
Robert J. Van Hale; Peter Wilfred Holder; Jacob D. S. Harrison; Russell D. Frew
Source:
Analytical chemistry 2019 v.91 no.21 pp. 13367-13371
ISSN:
1520-6882
Subject:
Tephritidae; carbon monoxide; deuterium; forensic sciences; fruit flies; gases; invasive species; mass spectrometry; oxygen; oxygen isotopes; stable isotopes; thermal degradation
Abstract:
... Hydrogen and oxygen isotope ratios are of use to determine the origin of matter. Thermolysis is used to convert matter to H₂ and CO gases, which are the respective substrates for measurement of these two isotope ratios, using isotope ratio mass spectrometry (IRMS). This work was done in response to the need for analysis of small invasive insects, requiring a decrease in the limit of measurement fo ...
DOI:
10.1021/acs.analchem.9b03131

13. Fiber-Enhanced Raman Gas Spectroscopy for ¹⁸O–¹³C-Labeling Experiments

Author:
Andreas Knebl; Robert Domes; Di Yan; Juergen Popp; Susan Trumbore; Torsten Frosch
Source:
Analytical chemistry 2019 v.91 no.12 pp. 7562-7569
ISSN:
1520-6882
Subject:
Raman spectroscopy; carbon; carbon dioxide; density functional theory; detection limit; ecology; environmental science; gas exchange; gases; isotope labeling; metabolism; nitrogen; oxygen; plant exchange; stable isotopes
Abstract:
... Stable isotopes are used in ecology to track and disentangle different processes and pathways. Especially for studies focused on the gas exchange of plants, sensing techniques that offer oxygen (O₂) and carbon dioxide (CO₂) sensitivity with isotopic discrimination are highly sought after. Addressing this challenge, fiber-enhanced Raman gas spectroscopy is introduced as a fast optical technique dir ...
DOI:
10.1021/acs.analchem.8b05684

14. Fluorescent Chemosensor for Dual-Channel Discrimination between Phosgene and Triphosgene

Author:
Shao-Lin Wang; Chen Li; Qin-Hua Song
Source:
Analytical chemistry 2019 v.91 no.9 pp. 5690-5697
ISSN:
1520-6882
Subject:
Lewis acids; detection limit; fluorescence; fluorescent dyes; gases; nanofibers; paper; public safety; toxicity
Abstract:
... As highly toxic and accessible chemical reagents, phosgene and triphosgene have become a serious threat to public safety. So, it is highly desirable to develop facile methods to detect and recognize them. In this article, a novel fluorescent chemosensor, Phos-4, has been constructed with 1,8-naphthalimide as the fluorophore and 2-(2-aminophenyl)imidazol as the recognition sites for discrimination ...
DOI:
10.1021/acs.analchem.8b05777

15. High-Performance Molecular Imaging with MALDI Trapped Ion-Mobility Time-of-Flight (timsTOF) Mass Spectrometry

Author:
Jeffrey M. Spraggins; Katerina V. Djambazova; Emilio S. Rivera; Lukasz G. Migas; Elizabeth K. Neumann; Arne Fuetterer; Juergen Suetering; Niels Goedecke; Alice Ly; Raf Van de Plas; Richard M. Caprioli
Source:
Analytical chemistry 2019 v.91 no.22 pp. 14552-14560
ISSN:
1520-6882
Subject:
brain; data collection; desorption; gases; image analysis; instrumentation; ionization; kidneys; lipids; mass spectrometry; mice; prototypes; pups; sodium
Abstract:
... Imaging mass spectrometry (IMS) enables the spatially targeted molecular assessment of biological tissues at cellular resolutions. New developments and technologies are essential for uncovering the molecular drivers of native physiological function and disease. Instrumentation must maximize spatial resolution, throughput, sensitivity, and specificity, because tissue imaging experiments consist of ...
DOI:
10.1021/acs.analchem.9b03612

16. Integrating Electrochemical and Colorimetric Sensors with a Webcam Readout for Multiple Gas Detection

Author:
Xingcai Qin; Jingjing Yu; Mengchi Jiao; Xiaonan Shan; Xiaojun Xian; Di Wang; Nongjian Tao
Source:
Analytical chemistry 2019 v.92 no.1 pp. 799-805
ISSN:
1520-6882
Subject:
colorimetry; detection limit; electric potential difference; electrochemistry; gases; humidity; nitrogen dioxide; oxygen; quantitative analysis; recycling; sensors (equipment); silver
Abstract:
... Multisensor detectors have merits of low cost, compact size, and capability of supplying accurate and reliable information otherwise hard to obtain by any single sensors. They are therefore highly desired in various applications. Despite the advantages and needs, they face great challenges in technique especially when integrating sensors with different sensing principles. To bridge the gap between ...
DOI:
10.1021/acs.analchem.9b03202

17. Ion Mobility-Mass Spectrometry Reveals That α-Hemolysin from Staphylococcus aureus Simultaneously Forms Hexameric and Heptameric Complexes in Detergent Micelle Solutions

Author:
Jesse W. Wilson; Amber D. Rolland; Grant M. Klausen; James S. Prell
Source:
Analytical chemistry 2019 v.91 no.15 pp. 10204-10211
ISSN:
1520-6882
Subject:
Staphylococcus aureus; cell membranes; crystal structure; detergents; gases; hemolysins; ions; membrane proteins; micelles; molecular dynamics; nanopores; simulation models; spectroscopy; stoichiometry
Abstract:
... Many soluble and membrane proteins form symmetrical homooligomeric complexes. However, determining the oligomeric state of protein complexes can be difficult. Alpha-hemolysin (αHL) from Staphylococcus aureus is a symmetrical homooligomeric protein toxin that forms transmembrane β-barrel pores in host cell membranes. The stable pore structure of αHL has also been exploited in vitro as a nanopore to ...
DOI:
10.1021/acs.analchem.9b02243

18. Laser-Induced Microplasma as an Ambient Ionization Approach for the Mass-Spectrometric Analysis of Liquid Samples

Author:
Andreas Bierstedt; Yi You; Sebastian van Wasen; Gaby Bosc-Bierne; Michael Weller; Jens Riedel
Source:
Analytical chemistry 2019 v.91 no.9 pp. 5922-5928
ISSN:
1520-6882
Subject:
chemical species; gases; heat; ionization; ions; liquids; mass spectrometry; spectrometers
Abstract:
... An airborne high repetition rate laser-induced plasma was applied as a versatile ambient ionization source for mass-spectrometric determinations of polar and nonpolar analytes in solution. The laser plasma was sustained between a home-built pneumatic nebulizer and the inlet capillary of an Orbitrap mass spectrometer. To maintain stable conditions in the droplet-rich spray environment, the plasma w ...
DOI:
10.1021/acs.analchem.9b00329

19. Mass Spectral Similarity Networking and Gas-Phase Fragmentation Reactions in the Structural Analysis of Flavonoid Glycoconjugates

Author:
Alan Cesar Pilon; Haiwei Gu; Daniel Raftery; Vanderlan da Silva Bolzani; Norberto Peporine Lopes; Ian Castro-Gamboa; Fausto Carnevale Neto
Source:
Analytical chemistry 2019 v.91 no.16 pp. 10413-10423
ISSN:
1520-6882
Subject:
Chrysobalanaceae; automation; chemical composition; chemotaxonomy; dissociation; flavonoids; gases; glycoconjugates; human health; isomers; libraries; metabolites; plant physiology; tandem mass spectrometry
Abstract:
... Flavonoids represent an important class of natural products with a central role in plant physiology and human health. Their accurate annotation using untargeted mass spectrometry analysis still relies on differentiating similar chemical scaffolds through spectral matching to reference library spectra. In this work, we combined molecular network analysis with rules for fragment reactions and chemot ...
DOI:
10.1021/acs.analchem.8b05479

20. Measurements of Immersion Freezing and Heterogeneous Chemistry of Atmospherically Relevant Single Particles with Micro-Raman Spectroscopy

Author:
Liora E. Mael; Heidi Busse; Vicki H. Grassian
Source:
Analytical chemistry 2019 v.91 no.17 pp. 11138-11145
ISSN:
1520-6882
Subject:
Raman spectroscopy; aqueous solutions; chemical composition; freezing; gases; ice; ice nucleation; image analysis; ozone; relative humidity; spectrometers; temperature; water uptake
Abstract:
... In the atmosphere, there are several different trajectories by which particles can nucleate ice; two of the major pathways are deposition and immersion freezing. Single particle depositional freezing has been widely studied with spectroscopic methods while immersion freezing has been predominantly studied either for particles within bulk aqueous solutions or using optical imaging of single particl ...
DOI:
10.1021/acs.analchem.9b01819

21. Measuring the Integrity of Gas-Phase Conformers of Sodiated 25-Hydroxyvitamin D3 by Drift Tube, Traveling Wave, Trapped, and High-Field Asymmetric Ion Mobility

Author:
Nicholas R. Oranzi; Robin H. J. Kemperman; Michael S. Wei; Violeta I. Petkovska; Scott W. Granato; Benjamin Rochon; Julia Kaszycki; Aurelio La Rotta; Kevin Jeanne Dit Fouque; Francisco Fernandez-Lima; Richard A. Yost
Source:
Analytical chemistry 2019 v.91 no.6 pp. 4092-4099
ISSN:
1520-6882
Subject:
25-hydroxycholecalciferol; blood serum; chromatography; gases; heat; spectrometers; spectroscopy
Abstract:
... Quantitation of the serum concentration of 25-hydroxyvitamin D is a high-demand assay that suffers from long chromatography time to separate 25-hydroxyvitamin D from its inactive epimer; however, ion mobility spectrometry can distinguish the epimer pair in under 30 ms due to the presence of a unique extended or “open” gas-phase sodiated conformer, not shared with the epimer, reducing the need for ...
DOI:
10.1021/acs.analchem.8b05723

22. Metal Probe Microextraction Coupled to Dielectric Barrier Discharge Ionization–Mass Spectrometry for Detecting Drug Residues in Organisms

Author:
Qiao Lu; Rongkun Lin; Chao Du; Yifan Meng; Manqing Yang; Renato Zenobi; Wei Hang
Source:
Analytical chemistry 2020 v.92 no.8 pp. 5921-5928
ISSN:
1520-6882
Subject:
Paramecium; Plasmodium falciparum; chemical species; desorption; detection limit; drug residues; falciparum malaria; fish; gases; ionization; mass spectrometry; microextraction; pyrimethamine; tungsten
Abstract:
... In this study, a novel method for the direct coupling of metal probe microextraction (MPME) and a dielectric barrier discharge ionization (DBDI) source with mass spectrometry (MS) is reported. Analytes adsorbed on a tungsten needle were directly transferred to the DBDI source via rapid thermal desorption, which resulted in a limit of detection as low as 8 pg/mL. This is in part due to the “active ...
DOI:
10.1021/acs.analchem.0c00004

23. A Modified Drift Tube Ion Mobility-Mass Spectrometer for Charge-Multiplexed Collision-Induced Unfolding

Author:
Daniel D. Vallejo; Daniel A. Polasky; Ruwan T. Kurulugama; Joseph D. Eschweiler; John C. Fjeldsted; Brandon T. Ruotolo
Source:
Analytical chemistry 2019 v.91 no.13 pp. 8137-8146
ISSN:
1520-6882
Subject:
amino acid sequences; antibodies; biopharmaceuticals; data collection; dissociation; electric potential difference; gases; ions; post-translational modification; protein unfolding; proteins; spectrometers
Abstract:
... Collision-induced unfolding (CIU) of protein ions and their noncovalent complexes offers relatively rapid access to a rich portfolio of biophysical information, without the need to tag or purify proteins prior to analysis. Such assays have been characterized extensively for a range of therapeutic proteins, proving exquisitely sensitive to alterations in protein sequence, structure, and post-transl ...
DOI:
10.1021/acs.analchem.9b00427

24. Modified Screen Printed Electrode Suitable for Electrochemical Measurements in Gas Phase

Author:
Rosanna Toniolo; Nicolò Dossi; Emanuele Giannilivigni; Andrea Fattori; Rossella Svigelj; Gino Bontempelli; Agnese Giacomino; Salvatore Daniele
Source:
Analytical chemistry 2020 v.92 no.5 pp. 3689-3696
ISSN:
1520-6882
Subject:
carbon; carbon electrodes; chemical species; electrical conductivity; electrochemistry; electrolytes; flow injection analysis; gases; oxygen; paper; polylactic acid; prototypes; vapor pressure; voltammetry
Abstract:
... We describe a convenient assembly for screen printed carbon electrodes (SPCE) suitable for analyses in gaseous samples which are of course lacking in supporting electrolytes. It consists of a circular crown of filter paper, soaked in a RTIL or a DES, placed upon a disposable screen printed carbon cell, so as to contact the outer edge of the carbon disk working electrode, as well as peripheral coun ...
DOI:
10.1021/acs.analchem.9b04818

25. Operando Reactor-Cell with Simultaneous Transmission FTIR and Raman Characterization (IRRaman) for the Study of Gas-Phase Reactions with Solid Catalysts

Author:
Juan José Ternero-Hidalgo; María Olga Guerrero-Pérez; José Rodríguez-Mirasol; Tomás Cordero; Miguel A. Bañares; Raquel Portela; Philippe Bazin; Guillaume Clet; Marco Daturi
Source:
Analytical chemistry 2020 v.92 no.7 pp. 5100-5106
ISSN:
1520-6882
Subject:
Fourier transform infrared spectroscopy; Raman spectroscopy; catalysts; catalytic activity; gases; oxygen; propane; spectral analysis; spectrometers; vanadium
Abstract:
... Raman and transmission FTIR spectroscopic techniques have been coupled in a new homemade reactor-cell designed in a joint CSIC–LCS collaboration. The setup is easily adapted to any FTIR and fiber-coupled Raman spectrometers and gas analysis techniques. It allows for simultaneous operando FTIR and Raman spectroscopic measurement, which provide complementary characterization of adsorbed species, rea ...
DOI:
10.1021/acs.analchem.9b05473

26. Optimization of Au:CuO Nanocomposite Thin Films for Gas Sensing with High-Resolution Localized Surface Plasmon Resonance Spectroscopy

Author:
Manuela Proença; Marco Sampaio Rodrigues; Joel Borges; Filipe Vaz
Source:
Analytical chemistry 2020 v.92 no.6 pp. 4349-4356
ISSN:
1520-6882
Subject:
ambient temperature; argon (noble gases); cupric oxide; films (materials); gases; nanocomposites; nanogold; nanoparticles; nitrogen; oxygen; refractive index; spectroscopy; surface plasmon resonance
Abstract:
... Gas sensing based on bulk refractive index (RI) changes, has been a challenging task for localized surface plasmon resonance (LSPR) spectroscopy, presenting only a limited number of reports in this field. In this work, it is demonstrated that a plasmonic thin film composed of Au nanoparticles embedded in a CuO matrix can be used to detect small changes (as low as 6 × 10–⁵ RIU) in bulk RI of gases ...
DOI:
10.1021/acs.analchem.9b05153

27. Precise Measurements of ¹²CH₂D₂ by Tunable Infrared Laser Direct Absorption Spectroscopy

Author:
Yenny Gonzalez; David D. Nelson; Joanne H. Shorter; J. Barry McManus; Christoph Dyroff; Michael Formolo; David T. Wang; Colin M. Western; Shuhei Ono
Source:
Analytical chemistry 2019 v.91 no.23 pp. 14967-14974
ISSN:
1520-6882
Subject:
carbon; gases; lasers; methane; rapid methods; spectroscopy; stable isotopes
Abstract:
... We present precise measurements of doubly deuterated methane (¹²CH₂D₂) in natural methane samples using tunable infrared laser direct absorption spectroscopy (TILDAS). Using a 413 m optical path length astigmatic Herriott cell and two quantum cascade lasers (QCLs) scanning the spectral regions of 1090.46 ± 0.1 and 1200.23 ± 0.1 cm–¹, the instrument simultaneously measures the five main isotopologu ...
DOI:
10.1021/acs.analchem.9b03412

28. Preservation of Protein Zwitterionic States in the Transition from Solution to Gas Phase Revealed by Sodium Adduction Mass Spectrometry

Author:
Jun Hu; Wen Lei; Jiang Wang; Hong-Yuan Chen; Jing-Juan Xu
Source:
Analytical chemistry 2019 v.91 no.12 pp. 7858-7863
ISSN:
1520-6882
Subject:
droplets; drying; electrospray ionization mass spectrometry; gases; proteins; sodium; sodium chloride; temperature; zwitterions
Abstract:
... The structural characterization of proteins and their interaction network mapping in the gas phase highlights the need to preserve their most nativelike conformers in the transition from the solution to gas phase. Zwitterionic interactions in a protein are weak bonds between oppositely charged residues, which make an important contribution to protein stability. However, it is still not clear wheth ...
DOI:
10.1021/acs.analchem.9b01602

29. Quantitative Analysis of Metabolites at the Single-Cell Level by Hydrogen Flame Desorption Ionization Mass Spectrometry

Author:
Jun-Bo Zhao; Fang Zhang; Yin-Long Guo
Source:
Analytical chemistry 2019 v.91 no.4 pp. 2752-2758
ISSN:
1520-6882
Subject:
chemical species; desorption; gases; heat; hydrogen; ionization; ions; mass spectrometry; metabolites; quantitative analysis; spectrometers
Abstract:
... To date, direct quantitation of cellular metabolites at the picoliter level or in a single cell is still a challenge due to tiny sampling materials, the accuracy of the sampling volume, and the ubiquitous matrix effect. Herein, picoliter magnitude quantitative analysis was performed using a pressure-assisted microsampling probe coupled to the hydrogen flame desorption ionization mass spectrometer ...
DOI:
10.1021/acs.analchem.8b04422

30. Quantitative Measurements of Composition, Pressure, and Density of Microvolumes of CO₂–N₂ Gas Mixtures by Raman Spectroscopy

Author:
Van-Hoan Le; Marie-Camille Caumon; Alexandre Tarantola; Aurélien Randi; Pascal Robert; Josef Mullis
Source:
Analytical chemistry 2019 v.91 no.22 pp. 14359-14367
ISSN:
1520-6882
Subject:
Raman spectroscopy; carbon dioxide; equations; gases; phase transition; quantitative analysis; quartz; temperature; uncertainty; Alps region; Switzerland
Abstract:
... Quantitative analysis of gases by Raman spectroscopy is based on relative Raman scattering cross sections (RRSCS) and the evolution of different spectral parameters (peak position, peak area, peak intensity, etc.). However, most of the calibration data were established at low pressure (low density) and without evaluating the effect of the composition. Using these data may lead to considerable erro ...
DOI:
10.1021/acs.analchem.9b02803

31. Rapid Extraction and Analysis of Volatile Solutes with an Effervescent Tablet

Author:
Decibel P. Elpa; Shu-Pao Wu; Pawel L. Urban
Source:
Analytical chemistry 2020 v.92 no.3 pp. 2756-2763
ISSN:
1520-6882
Subject:
aqueous solutions; atmospheric pressure; bubbles; calibration; carbon dioxide; chemical species; data collection; detection limit; esters; gas chromatography-mass spectrometry; gases; green chemistry; headspace analysis; heat; liquids; neutralization; solid phase microextraction; solutes; standard deviation; volatile compounds; yogurt
Abstract:
... Extraction of volatile compounds from complex liquid matrices is a critical step in volatile compound analysis workflows. Recently, green chemistry principles are increasingly implemented in extraction processes. Some of the available approaches are solvent-free but still require concentration or trapping of analytes. Here, we propose effervescent tablet-induced extraction (ETIE) as a method of tr ...
DOI:
10.1021/acs.analchem.9b05009

32. Reactive Oxygen Species Generated by Cold Atmospheric Plasmas in Aqueous Solution: Successful Electrochemical Monitoring in Situ under a High Voltage System

Author:
Fanny Girard-Sahun; Vasilica Badets; Pauline Lefrançois; Neso Sojic; Franck Clement; Stéphane Arbault
Source:
Analytical chemistry 2019 v.91 no.13 pp. 8002-8007
ISSN:
1520-6882
Subject:
aqueous solutions; cold; containers; electric field; electric potential difference; electrochemistry; electrodes; gases; hydrogen peroxide; ionization; liquids; monitoring; nitrites; nitrogen; oxygen; pH; tissues
Abstract:
... Many investigations are dedicated to the detection and quantification of reactive oxygen and nitrogen species (RONS), particularly when generated in liquids exposed to cold atmospheric plasmas (CAPs). CAPs are partially ionized gases that can be obtained by applying a high electric field to a gas. A challenge is to get better insights on the plasma–liquid interactions in order to understand the in ...
DOI:
10.1021/acs.analchem.9b01912

33. Subppm Amine Detection via Absorption and Luminescence Turn-On Caused by Ligand Exchange in Metal Organic Frameworks

Author:
Ahmad Sousaraei; Carla Queirós; Francisco G. Moscoso; Tania Lopes-Costa; Jose M. Pedrosa; Ana M. G. Silva; Luís Cunha-Silva; Juan Cabanillas-Gonzalez
Source:
Analytical chemistry 2019 v.91 no.24 pp. 15853-15859
ISSN:
1520-6882
Subject:
Fourier transform infrared spectroscopy; X-ray diffraction; amines; coordination polymers; dicarboxylic acids; gases; ligands; mixing; photoluminescence; powders; thermogravimetry; wavelengths
Abstract:
... Luminescent metal–organic frameworks (LMOFs) are promising materials for lighting and sensing applications. Herein, exposure of the highly luminescent Zn₂(bpdc)₂(bpee) MOF (H₂bpdc = 4,4′-biphenyldicarboxylic acid and bpee = 1,2-bipyridylethene) to subppm amine contents turns on a new absorption band unambiguously ascribed to free bpee molecules concomitant with the gradual appearance of a new phot ...
DOI:
10.1021/acs.analchem.9b04291

34. Synthetic Small Molecule Characterization and Isomer Discrimination Using Gas-Phase Hydrogen–Deuterium Exchange IMS-MS

Author:
Kristin Kelly; Suzanne Bell; Hossein Maleki; Stephen Valentine
Source:
Analytical chemistry 2019 v.91 no.9 pp. 6259-6265
ISSN:
1520-6882
Subject:
ammonia; benzene; deuterium oxide; fluorine; gases; isomers; molecular dynamics; piperazine; psychotropic agents; simulation models; spectroscopy; t-test
Abstract:
... Ion mobility spectrometry–mass spectrometry (IMS-MS) combined with gas-phase hydrogen–deuterium exchange has been used to characterize novel psychoactive substances (NPSs) which are small synthetic compounds designed to mimic the effects of other illicit substances. Here, NPSs containing labile heteroatom hydrogens were evaluated for HDX reactivity in the presence of either deuterated water (D₂O) ...
DOI:
10.1021/acs.analchem.9b00979

35. Time-Resolved Laser-Flash Photolysis Faraday Rotation Spectrometer: A New Tool for Total OH Reactivity Measurement and Free Radical Kinetics Research

Author:
Nana Wei; Bo Fang; Weixiong Zhao; Chunhui Wang; Nana Yang; Weijun Zhang; Weidong Chen; Christa Fittschen
Source:
Analytical chemistry 2020 v.92 no.6 pp. 4334-4339
ISSN:
1520-6882
Subject:
atmospheric chemistry; data collection; free radicals; gases; hydroxyl radicals; oxidation; ozone; photolysis; spectrometers
Abstract:
... The total OH reactivity (kOH′) is an important parameter for quantitative assessment of the atmospheric oxidation capacity. Although laboratory measurement of kOH′ has been achieved 20 years ago, the instruments required are often costly and complex. Long-term atmospheric observations remain challenging and elusive. In this work, a novel instrument combining laser-flash photolysis with a mid-infra ...
DOI:
10.1021/acs.analchem.9b05117

36. Trajectory Taken by Dimeric Cu/Zn Superoxide Dismutase through the Protein Unfolding and Dissociation Landscape Is Modulated by Salt Bridge Formation

Author:
Luke McAlary; Julian A. Harrison; J. Andrew Aquilina; Steven P. Fitzgerald; Celine Kelso; Justin L.P. Benesch; Justin J. Yerbury
Source:
Analytical chemistry 2019 v.92 no.2 pp. 1702-1711
ISSN:
1520-6882
Subject:
Gibbs free energy; dissociation; gases; ions; mass spectrometry; mutants; protein unfolding; superoxide dismutase
Abstract:
... Native mass spectrometry (MS) is a powerful means for studying macromolecular protein assemblies, including accessing activated states. However, much remains to be understood about what governs which regions of the protein (un)folding funnel, which can be explored by activation of protein ions in a vacuum. Here, we examine the trajectory that Cu/Zn superoxide dismutase (SOD1) dimers take over the ...
DOI:
10.1021/acs.analchem.9b01699

37. Ultrasensitive, Selective, and Highly Stable Bioelectronic Nose That Detects the Liquid and Gaseous Cadaverine

Author:
Jungkyun Oh; Heehong Yang; Go Een Jeong; Dongseok Moon; Oh Seok Kwon; Sooyeol Phyo; Jiwon Lee; Hyun Seok Song; Tai Hyun Park; Jyongsik Jang
Source:
Analytical chemistry 2019 v.91 no.19 pp. 12181-12190
ISSN:
1520-6882
Subject:
biosensors; cadaverine; carboxylation; electronic nose; food spoilage; gases; liquids; nanoparticles; nickel; pyrroles; transistors
Abstract:
... Field-effect transistor (FET) devices based on conductive nanomaterials have been used to develop biosensors. However, development of FET-based biosensors that allow efficient stability, especially in the gas phase, for obtaining reliable and reproducible responses remains a challenge. In this study, we developed a nanodisc (ND)-functionalized bioelectronic nose (NBN) based on a nickel (Ni)-decora ...
DOI:
10.1021/acs.analchem.9b01068

38. Using Collision Cross Section Distributions to Assess the Distribution of Collision Cross Section Values

Author:
Aidan P. France; Lukasz G. Migas; Eleanor Sinclair; Bruno Bellina; Perdita E. Barran
Source:
Analytical chemistry 2020 v.92 no.6 pp. 4340-4348
ISSN:
1520-6882
Subject:
gases; ions; nitrogen; protein structure; proteins; spectroscopy; stoichiometry
Abstract:
... Careful transfer of ions into the gas-phase permits the measurement of protein structures, with ion mobility-mass spectrometry, which provides shape and stoichiometry information. Collision cross sections (CCS) can be obtained from measurements made of the ions mobility through a given gas, and such structural information once obtained should also permit interlaboratory comparisons. However, until ...
DOI:
10.1021/acs.analchem.9b05130

39. Virus Size Analysis by Gas-Phase Mobility Measurements: Resolution Limits

Author:
J. Fernández-García; S. Compton; D. Wick; J. Fernandez de la Mora
Source:
Analytical chemistry 2019 v.91 no.20 pp. 12962-12970
ISSN:
1520-6882
Subject:
Norovirus; Rodent protoparvovirus 1; cell culture; coliphages; commercialization; electrospraying; encephalitis; gases; instrumentation; virion
Abstract:
... Electrospraying (ES) dissolved viral particles, followed by charge reduction and size analysis with a differential mobility analyzer (DMA), offers a flexible size-analysis tool for small particles in solution. The technique relies on pioneering work by Kaufman and colleagues, commercialized by TSI, and often referred to as GEMMA. However, viral studies with TSI’s GEMMA have suffered from limited r ...
DOI:
10.1021/acs.analchem.9b03023

40. An Algorithm for Building Multi-State Classifiers Based on Collision-Induced Unfolding Data

Author:
Daniel A. Polasky; Sugyan M. Dixit; Daniel D. Vallejo; Kathryn D. Kulju; Brandon T. Ruotolo
Source:
Analytical chemistry 2019 v.91 no.16 pp. 10407-10412
ISSN:
1520-6882
Subject:
algorithms; data collection; drugs; enzyme inhibitors; gases; immunoglobulin G; ions; lipids; membrane proteins; protein structure; rapid methods; screening
Abstract:
... Collision-induced unfolding (CIU) has emerged as a valuable method for distinguishing iso-cross-sectional protein ions through their distinct gas-phase unfolding trajectories. CIU shows promise as a high-throughput, structure-sensitive screening technique with potential applications in drug discovery and biotherapeutic characterization. We recently developed a CIU classification workflow to suppor ...
DOI:
10.1021/acs.analchem.9b02650

41. CIUSuite 2: Next-Generation Software for the Analysis of Gas-Phase Protein Unfolding Data

Author:
Daniel A. Polasky; Sugyan M. Dixit; Sarah M. Fantin; Brandon T. Ruotolo
Source:
Analytical chemistry 2019 v.91 no.4 pp. 3147-3155
ISSN:
1520-6882
Subject:
automation; computer software; data collection; gases; ions; ligands; models; protein unfolding; screening; spectroscopy; structural biology
Abstract:
... Ion mobility–mass spectrometry (IM–MS) has become an important addition to the structural biology toolbox, but separating closely related protein conformations remain challenging. Collision-induced unfolding (CIU) has emerged as a valuable technique for distinguishing iso-cross-sectional protein and protein complex ions through their distinct unfolding pathways in the gas phase. The speed and sens ...
DOI:
10.1021/acs.analchem.8b05762

42. Characterization of the Impact of Drug Metabolism on the Gas-Phase Structures of Drugs Using Ion Mobility-Mass Spectrometry

Author:
Dylan H. Ross; Ryan P. Seguin; Libin Xu
Source:
Analytical chemistry 2019 v.91 no.22 pp. 14498-14507
ISSN:
1520-6882
Subject:
biosynthesis; drugs; gases; humans; ions; liquid chromatography; liver; mass spectrometry; metabolites; models; nuclear magnetic resonance spectroscopy; pharmacokinetics; subcellular fractions
Abstract:
... Conventional strategies for drug metabolite identification employ a combination of liquid chromatography-mass spectrometry (LC-MS), which offers higher throughput but provides limited structural information, and nuclear magnetic resonance spectroscopy, which can achieves the most definitive identification but lacks throughput. Ion mobility-mass spectrometry (IM-MS) is a rapid, two-dimensional anal ...
DOI:
10.1021/acs.analchem.9b03292

43. Charge Movement and Structural Changes in the Gas-Phase Unfolding of Multimeric Protein Complexes Captured by Native Top-Down Mass Spectrometry

Author:
Mowei Zhou; Weijing Liu; Jared B. Shaw
Source:
Analytical chemistry 2019 v.92 no.2 pp. 1788-1795
ISSN:
1520-6882
Subject:
activation energy; alcohol dehydrogenase; dissociation; gases; hydrogen; mass spectrometry; models; monitoring; photolysis
Abstract:
... The extent to which noncovalent protein complexes retain native structure in the gas phase is highly dependent on experimental conditions. Energetic collisions with background gas can cause structural changes ranging from unfolding to subunit dissociation. Additionally, recent studies have highlighted the role of charge in such structural changes, but the mechanism is not completely understood. In ...
DOI:
10.1021/acs.analchem.9b03469

44. Colorimetric Detection of Carcinogenic Alkylating Fumigants on Nylon-6 Nanofibrous Membrane. Part I: Investigation of 4-(p-Nitrobenzyl)pyridine as a “New” Sensing Agent with Ultrahigh Sensitivity

Author:
Peixin Tang; Ho Ting Leung; Gang Sun
Source:
Analytical chemistry 2018 v.90 no.24 pp. 14593-14601
ISSN:
1520-6882
Subject:
1,3-dichloropropene; Lewis bases; acute toxicity; air quality; alkylation agents; carcinogenicity; color; colorimetry; computational methodology; detection limit; farm labor; fumigants; gases; methyl bromide; methyl iodide; monitoring; nanofibers; organobromine compounds; organoiodine compounds; pests; pyridines
Abstract:
... Alkylating fumigants are widely used in agricultural production for the control of soil-borne pests, but the acute toxicity and carcinogenicity of these chemicals pose a health threat to farm workers, as well as residents. A nanofibrous membrane-based colorimetric sensor relying on the nucleophilic substitution reaction of 4-(p-nitrobenzyl)pyridine (NBP) is introduced for the convenient and portab ...
DOI:
10.1021/acs.analchem.8b04775

45. Colorimetric Sensor Array for Monitoring CO and Ethylene

Author:
Zheng Li; Kenneth S. Suslick
Source:
Analytical chemistry 2018 v.91 no.1 pp. 797-802
ISSN:
1520-6882
Subject:
air pollutants; air pollution; bananas; carbon monoxide; colorimetry; detection limit; detectors; electronic nose; ethylene; gases; humidity; hydrogen sulfide; metal ions; microparticles; monitoring; nitrogen oxides; palladium; permissible exposure limit; quantitative analysis; ripening; sulfur dioxide; toxic substances; toxicity
Abstract:
... Developing miniaturized and inexpensive detectors remains an important and practical goal for field-deployable monitoring of toxic gases and other bioactive volatiles. CO (a common toxic pollutant) and ethylene (the phytohormone primarily responsible for fruit ripening) share the capability of strong back-π-bonding to low-oxidation-state metal ions, which has proved important in the development of ...
DOI:
10.1021/acs.analchem.8b04321

46. Combination of Capillary Zone Electrophoresis-Mass Spectrometry, Ion Mobility-Mass Spectrometry, and Theoretical Calculations for Cysteine Connectivity Identification in Peptides Bearing Two Intramolecular Disulfide Bonds

Author:
Cédric Delvaux; Philippe Massonnet; Christopher Kune; Jean R. N. Haler; Gregory Upert; Gilles Mourier; Nicolas Gilles; Loïc Quinton; Edwin De Pauw; Johann Far
Source:
Analytical chemistry 2019 v.92 no.3 pp. 2425-2434
ISSN:
1520-6882
Subject:
bioactive properties; capillary zone electrophoresis; cysteine; disulfide bonds; disulfides; gases; isomers; mass spectrometry; peptides; physicochemical properties; proteins
Abstract:
... Disulfide bonds between cysteine residues are commonly involved in the stability of numerous peptides and proteins and are crucial for providing biological activities. In such peptides, the appropriate cysteine connectivity ensures the proper conformation allowing an efficient binding to their molecular targets. Disulfide bond connectivity characterization is still challenging and is a critical is ...
DOI:
10.1021/acs.analchem.9b03206

47. Conformational Preference of Macrocycles Investigated by Ion-Mobility Mass Spectrometry and Distance Geometry Modeling

Author:
Isaac W. Haynes; Guangcheng Wu; Md. Ashraful Haque; Hao Li; Thanh D. Do
Source:
Analytical chemistry 2019 v.91 no.21 pp. 13439-13447
ISSN:
1520-6882
Subject:
X-ray diffraction; chemical bonding; chlorides; gases; geometry; hydrazine; isomers; mass spectrometry; models; organic chemistry; polypeptides; quantum mechanics; solvents
Abstract:
... Macrocycles provide intricate shape manifolds that leverage the depth of the modern organic chemistry toolbox. Novel chemistry can be introduced via new bond types and unique torsional angles inaccessible by traditional small molecules and biomolecules. In this work, we investigate the conformational space of a class of biscationic macrocycles in protic and aprotic solvents using a combination of ...
DOI:
10.1021/acs.analchem.9b02100

48. Covalent Cross-Linking as an Enabler for Structural Mass Spectrometry

Author:
Emeline Hanozin; Elodie Grifnée; Hugo Gattuso; André Matagne; Denis Morsa; Edwin De Pauw
Source:
Analytical chemistry 2019 v.91 no.20 pp. 12808-12818
ISSN:
1520-6882
Subject:
beta-lactoglobulin; chemical species; circular dichroism spectroscopy; crosslinking; cytochrome c; denaturation; electric potential difference; gases; mass spectrometry; molecular dynamics; myoglobin; simulation models; solvents; spraying; ultraviolet radiation
Abstract:
... The number of studies referring to the structural elucidation of intact biomolecular systems using mass spectrometry techniques has gradually increased in the post-2000s literature topics. As part of native mass spectrometry, this domain capitalizes on the kinetic trapping of physiological folds in view of probing solution-like conformational properties of isolated molecules or complexes after the ...
DOI:
10.1021/acs.analchem.9b02491

49. Crown Ether Effects on the Location of Charge Carriers in Electrospray Droplets: Implications for the Mechanism of Protein Charging and Supercharging

Author:
Haidy Metwally; Lars Konermann
Source:
Analytical chemistry 2018 v.90 no.6 pp. 4126-4134
ISSN:
1520-6882
Subject:
ammonium; aqueous solutions; dendrimers; droplets; electrospray ionization mass spectrometry; evaporation; gases; ionization; models; molecular dynamics; protein structure; proteins; sodium
Abstract:
... “Native” electrospray ionization (ESI) mass spectrometry (MS) aims to transfer proteins from solution into the gas phase while maintaining solution-like structures and interactions. The ability to control the charge states of protein ions produced in these experiments is of considerable importance. Supercharging agents (SCAs) such as sulfolane greatly elevate charge states without significantly af ...
DOI:
10.1021/acs.analchem.8b00099

50. Determining Linear Free Energy Relationships in Peptide Fragmentation Using Derivatization and Targeted Mass Spectrometry

Author:
Yuanyuan Shen; Reza Nemati; Lei Wang; Xudong Yao
Source:
Analytical chemistry 2018 v.90 no.3 pp. 1587-1594
ISSN:
1520-6882
Subject:
Gibbs free energy; amides; amino acids; derivatization; dissociation; gases; liquid chromatography; mass spectrometry; peptides; proteome
Abstract:
... The sequence complexity of a proteome is utilized with rational chemical derivatization to establish the linear free energy relationship (LFER) in order to investigate the collision-induced dissociation (CID) of peptides. The derivatization produces groups of peptides that have varying designer residues of aliphatic amino acids at the N-terminus but stay invariable for the rest of sequences, which ...
DOI:
10.1021/acs.analchem.7b02191

51. Differential Hydrogen/Deuterium Exchange during Proteoform Separation Enables Characterization of Conformational Differences between Coexisting Protein States

Author:
Yue Shen; Xiuxiu Zhao; Guanbo Wang; David D. Y. Chen
Source:
Analytical chemistry 2019 v.91 no.6 pp. 3805-3809
ISSN:
1520-6882
Subject:
capillary electrophoresis; deuterium; gases; heme; isomers; isotope labeling; lysozyme; mass spectrometry; molecular weight; stable isotopes
Abstract:
... Characterization of structural differences between coexisting conformational states of protein is difficult with conventional biophysical techniques. Hydrogen/deuterium exchange (HDX) coupled with top-down mass spectrometry (MS) allows different conformers to be deuterated to different extents and distinguished through gas-phase separation based on molecular weight distributions prior to determina ...
DOI:
10.1021/acs.analchem.9b00558

52. Differential-Mobility Spectrometry of 1-Deoxysphingosine Isomers: New Insights into the Gas Phase Structures of Ionized Lipids

Author:
Berwyck L. J. Poad; Alan T. Maccarone; Haibo Yu; Todd W. Mitchell; Essa M. Saied; Christoph Arenz; Thorsten Hornemann; James N. Bull; Evan J. Bieske; Stephen J. Blanksby
Source:
Analytical chemistry 2018 v.90 no.8 pp. 5343-5351
ISSN:
1520-6882
Subject:
chemical bonding; gases; ionization; lipids; liquid chromatography; mass spectrometry; molecular dynamics; ozone; positional isomers; simulation models
Abstract:
... Separation and structural identification of lipids remain a major challenge for contemporary lipidomics. Regioisomeric lipids differing only in position(s) of unsaturation are often not differentiated by conventional liquid chromatography–mass spectrometry approaches leading to the incomplete, or sometimes incorrect, assignation of molecular structure. Here we describe an investigation of the gas ...
DOI:
10.1021/acs.analchem.8b00469

53. Differentiation of Deprotonated Acyl-, N-, and O-Glucuronide Drug Metabolites by Using Tandem Mass Spectrometry Based on Gas-Phase Ion–Molecule Reactions Followed by Collision-Activated Dissociation

Author:
Edouard Niyonsaba; McKay W. Easton; Erlu Feng; Zaikuan Yu; Zhoupeng Zhang; Huaming Sheng; John Kong; Leah F. Easterling; Jacob Milton; Harry R. Chobanian; Nicholas R. Deprez; Mark T. Cancilla; Gozdem Kilaz; Hilkka I. Kenttämaa
Source:
Analytical chemistry 2019 v.91 no.17 pp. 11388-11396
ISSN:
1520-6882
Subject:
biotransformation; carboxylic acids; dissociation; drug toxicity; drugs; gases; glucuronic acid; high performance liquid chromatography; ions; metabolism; metabolites; probability; quantum mechanics; spectrometers; tandem mass spectrometry; xenobiotics
Abstract:
... Glucuronidation, a common phase II biotransformation reaction, is one of the major in vitro and in vivo metabolism pathways of xenobiotics. In this process, glucuronic acid is conjugated to a drug or a drug metabolite via a carboxylic acid, a hydroxy, or an amino group to form acyl-, O-, and/or N-glucuronide metabolites, respectively. This process is traditionally thought to be a detoxification pa ...
DOI:
10.1021/acs.analchem.9b02717

54. Electrospray Ionization of Polypropylene Glycol: Rayleigh-Charged Droplets, Competing Pathways, and Charge State-Dependent Conformations

Author:
Quentin Duez; Haidy Metwally; Lars Konermann
Source:
Analytical chemistry 2018 v.90 no.16 pp. 9912-9920
ISSN:
1520-6882
Subject:
droplets; electrospray ionization mass spectrometry; evaporation; gases; ionization; ions; models; molecular dynamics; polypropylenes; progeny; sodium; solvents
Abstract:
... Recent molecular dynamics (MD) simulations from various laboratories have advanced the general understanding of electrospray ionization (ESI)-related processes. Unfortunately, computational cost has limited most of those previous endeavors to ESI droplets with radii of ∼3 nm or less, which represent the low end of the size distribution in the ESI plume. The current work extends this range by condu ...
DOI:
10.1021/acs.analchem.8b02115

55. Enhance the Discrimination Precision of Graphene Gas Sensors with a Hidden Markov Model

Author:
Huixian Ye; Eric C. Nallon; Vincent P. Schnee; Chen Shi; Kai Jiang; Jinxia Xu; Songlin Feng; Hui Wang; Qiliang Li
Source:
Analytical chemistry 2018 v.90 no.22 pp. 13790-13795
ISSN:
1520-6882
Subject:
Markov chain; electronics; gases; graphene; models; prediction; spectral analysis
Abstract:
... Sensors are the key element to enable smart electronics and will play an important role in the emerging big data era. In this work, we reported an experimental study and a data-analytical characterization method to enhance the precision of discriminating chemically and structurally similar gases. Graphene sensors were fabricated by conventional photolithography and measured with feature analysis a ...
DOI:
10.1021/acs.analchem.8b04386

56. Enhanced Sequence Coverage of Large Proteins by Combining Ultraviolet Photodissociation with Proton Transfer Reactions

Author:
James D. Sanders; Christopher Mullen; Eleanor Watts; Dustin D. Holden; John E. P. Syka; Jae C. Schwartz; Jennifer S. Brodbelt
Source:
Analytical chemistry 2019 v.92 no.1 pp. 1041-1049
ISSN:
1520-6882
Subject:
algorithms; antibodies; carbonate dehydratase; drugs; fructose-bisphosphate aldolase; gases; glutamate dehydrogenase; ions; isotopes; liquid chromatography; mass spectrometry; phosphopyruvate hydratase; photolysis; proteins
Abstract:
... Ultraviolet photodissociation (UVPD) produces rich and informative fragmentation of intact protein ions, but in the case of high mass proteins (>30 kDa) the spectra are congested with overlapping isotope patterns of highly charged fragment ions. In the most congested regions, many fragments cannot be confidently identified even when high-resolution mass analyzers and modern deconvolution algorithm ...
DOI:
10.1021/acs.analchem.9b04026

57. Fast and Ultrasensitive Detection of a Nerve Agent Simulant Using Carbazole-Based Nanofibers with Amplified Ratiometric Fluorescence Responses

Author:
Chunyan Sun; Wei Xiong; Weidong Ye; Yingxuan Zheng; Ran Duan; Yanke Che; Jincai Zhao
Source:
Analytical chemistry 2018 v.90 no.12 pp. 7131-7134
ISSN:
1520-6882
Subject:
fluorescence; gases; harvesting; nanofibers; nerve agents; wavelengths
Abstract:
... In this work, we report the fast and ultrasensitive detection of a nerve agent simulant in the gas phase, diethyl chlorophosphate (DCP), by using carbazole-based nanofibers from 1. When exposed to trace DCP, the formed pyridine-phosphorylated product in 1 nanofibers can cause amplified ratiometric fluorescence responses, i.e., amplified fluorescence quenching via quenching excitons within the diff ...
DOI:
10.1021/acs.analchem.8b01810

58. Feasibility of Rare Earth Element Determination in Low Concentration in Crude Oil: Direct Sampling Electrothermal Vaporization-Inductively Coupled Plasma Mass Spectrometry

Author:
Jussiane Souza Silva; Alessandra Schneider Henn; Valderi Luiz Dressler; Paola Azevedo Mello; Erico Marlon Moraes Flores
Source:
Analytical chemistry 2018 v.90 no.11 pp. 7064-7071
ISSN:
1520-6882
Subject:
atomic absorption spectrometry; calibration; citric acid; combustion; gases; mass spectrometry; microwave treatment; petroleum; pyrolysis; rare earth elements; statistical analysis; temperature; ultrasonics; volatilization
Abstract:
... A comprehensive study was developed showing the feasibility of determination of rare earth elements (REE) in low concentration in crude oil by using direct sampling electrothermal vaporization system coupled to inductively coupled plasma mass spectrometry (ETV-ICP-MS). The effect of organic modifier on the REE signal was evaluated and the use of 6 mg of citric acid allowed calibration using aqueou ...
DOI:
10.1021/acs.analchem.8b01460

59. Generating Supercharged Protein Ions for Breath Analysis by Extractive Electrospray Ionization Mass Spectrometry

Author:
Mufang Ke; Hua Zhang; Jianhua Ding; Xingchuang Xiong; Fenglei Li; Konstantin Chingin; Wei Kou; Aiying Liu; Tenggao Zhu; Xiang Fang; Huanwen Chen
Source:
Analytical chemistry 2019 v.91 no.5 pp. 3215-3220
ISSN:
1520-6882
Subject:
breath tests; carbonates; electrospray ionization mass spectrometry; electrospraying; gases; ionization; ions; metabolites
Abstract:
... Supercharged protein ions produced by electrospray ionization are extremely efficient proton donors for secondary ionization. Here, by electrospraying the protein solutions containing 5% 1,2-butylene carbonate, the supercharged protein ions with unusually high proton density were produced as the primary ions for the ionization of exhaled breath samples in the extractive electrospray ionization mas ...
DOI:
10.1021/acs.analchem.8b03114

60. High Sensitivity Monitoring Device for Onboard Measurement of Dimethyl Sulfide and Dimethylsulfoniopropionate in Seawater and an Oceanic Atmosphere

Author:
Daiki Okane; Edwin P. Koveke; Koya Tashima; Kentaro Saeki; Seiya Maezono; Takanori Nagahata; Norio Hayashi; Kylie Owen; Daniel P. Zitterbart; Shin-Ichi Ohira; Kei Toda
Source:
Analytical chemistry 2019 v.91 no.16 pp. 10484-10491
ISSN:
1520-6882
Subject:
automation; boats; chemiluminescence; chemoattractants; coasts; detection limit; dimethyl sulfide; dimethylsulfoniopropionate; gases; monitoring; photometry; predators; quantitative analysis; saline water; seawater; spectrometers; sulfur; volatilization; Japan
Abstract:
... An automated device has been developed to measure aqueous dimethyl sulfide (DMSaq), its precursor dimethylsulfoniopropionate (DMSP), and atmospheric gaseous dimethyl sulfide (DMSg). In addition to having a role in the oceanic atmosphere, DMS and DMSP have recently gained substantial interest within the biosciences and are suspected as chemoattractants for predators searching for prey. To provide t ...
DOI:
10.1021/acs.analchem.9b01360

61. Improving Mass Spectral Quality of Monoclonal Antibody Middle-Up LC-MS Analysis by Shifting the Protein Charge State Distribution

Author:
Wei Ding; Difei Qiu; Mark S. Bolgar; Scott A. Miller
Source:
Analytical chemistry 2018 v.90 no.3 pp. 1560-1565
ISSN:
1520-6882
Subject:
drugs; gases; liquid chromatography; mass spectrometry; monoclonal antibodies; proteins
Abstract:
... Monoclonal antibodies (mAbs) are experiencing accelerated development in the pharmaceutical industry. Utilization of middle-up LC-MS methodology can provide detailed characterization of mAbs via reduction and/or enzymatic cleavage of the mAb into smaller protein fragments. However, under typical LC-MS conditions, these fragments, especially the more heterogeneous heavy chain, can present charge st ...
DOI:
10.1021/acs.analchem.7b04423

62. Influence of Experimental Conditions on the Ratio of 25-Hydroxyvitamin D₃ Conformers for Validating a Liquid Chromatography/Ion Mobility-Mass Spectrometry Method for Routine Quantitation

Author:
Nicholas R. Oranzi; Nicolas C. Polfer; Jiajun Lei; Richard A. Yost
Source:
Analytical chemistry 2018 v.90 no.22 pp. 13549-13556
ISSN:
1520-6882
Subject:
25-hydroxycholecalciferol; blood serum; gases; heat; ions; isotope labeling; liquid chromatography; mass spectrometry; radio waves; stereoisomers
Abstract:
... The utility of adding ion mobility (IM) to liquid chromatography/mass spectrometry (LC/MS) for quantitation of 25-hydroxyvitamin D₃ (25OHD3) is evaluated. Sodiated 25OHD3 ions adopt both closed and open conformations, whereas the stereoisomer 3-epi-25-hydroxyvitamin D (epi25OHD), when sodiated, adopts only a closed gas-phase conformation. The unique open conformation for sodiated 25OHD3 permits un ...
DOI:
10.1021/acs.analchem.8b03668

63. Integration of a Multichannel Pulsed-Valve Inlet System to a Linear Quadrupole Ion Trap Mass Spectrometer for the Rapid Consecutive Introduction of Nine Reagents for Diagnostic Ion/Molecule Reactions

Author:
John Y. Kong; Ryan T. Hilger; Chunfen Jin; Ravikiran Yerabolu; James R. Zimmerman; Randall W. Replogle; Tiffany M. Jarrell; Leah Easterling; Rashmi Kumar; Hilkka I. Kenttämaa
Source:
Analytical chemistry 2019 v.91 no.24 pp. 15652-15660
ISSN:
1520-6882
Subject:
automation; gases; high performance liquid chromatography; high-throughput screening methods; organic compounds; screening; spectrometers; tandem mass spectrometry
Abstract:
... Gas-phase ion/molecule reactions have been used extensively for the structural elucidation of organic compounds in tandem mass spectrometry. Reagents for ion/molecule reactions can be introduced into a mass spectrometer via a continuous flow apparatus or through a pulsed inlet system. However, most of these approaches enable the use of only a single reagent at a time. In this work, a multichannel ...
DOI:
10.1021/acs.analchem.9b03768

64. Machine Vision Methods, Natural Language Processing, and Machine Learning Algorithms for Automated Dispersion Plot Analysis and Chemical Identification from Complex Mixtures

Author:
Danny Yeap; Paul T. Hichwa; Maneeshin Y. Rajapakse; Daniel J. Peirano; Mitchell M. McCartney; Nicholas J. Kenyon; Cristina E. Davis
Source:
Analytical chemistry 2019 v.91 no.16 pp. 10509-10517
ISSN:
1520-6882
Subject:
airports; automation; chemical composition; chemical compounds; chemical species; computer vision; data analysis; explosives; gases; image analysis; information retrieval; instrumentation; ions; patients; spectroscopy; support vector machines
Abstract:
... Gas-phase trace chemical detection techniques such as ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS) can be used in many settings, such as evaluating the health condition of patients or detecting explosives at airports. These devices separate chemical compounds in a mixture and provide information to identify specific chemical species of interest. Further, these types ...
DOI:
10.1021/acs.analchem.9b01428

65. Micelles Protect Intact Metallo-supramolecular Block Copolymer Complexes from Solution to Gas Phase during Electrospray Ionization

Author:
Kai-Hung Huang; Tsung-Han Tu; Shi-Cheng Wang; Yi-Tsu Chan; Cheng-Chih Hsu
Source:
Analytical chemistry 2018 v.90 no.12 pp. 7691-7699
ISSN:
1520-6882
Subject:
aqueous solutions; composite polymers; dissociation; gases; ionization; ions; mass spectrometry; micelles; surfactants
Abstract:
... Supramolecular diblock copolymers using metal–ligand coordination can be synthesized under ambient conditions by delicate design of the end groups of the homopolymer chains. However, mass spectrometric analysis of such metallo-supramolecular copolymers is challenging. One of the reasons is the nonpolarity of the polymer chains, making it hard to disperse the complexes in electrospray ionization (E ...
DOI:
10.1021/acs.analchem.8b01576

66. Monitoring Ambient Nitrate Radical by Open-Path Cavity-Enhanced Absorption Spectroscopy

Author:
Haichao Wang; Keding Lu
Source:
Analytical chemistry 2019 v.91 no.16 pp. 10687-10693
ISSN:
1520-6882
Subject:
absorption; detection limit; emissions; extinction; free radicals; gases; monitoring; nitrates; particulates; pollution; spectroscopy; uncertainty
Abstract:
... We describe an open-path cavity-enhanced absorption spectroscopy (OP-CEAS) technique for the ambient measurement of nitrate radicals (NO₃) near 662 nm. Compared with the closed type of CEAS system with a sampling line, the OP-CEAS features high accuracy due to the lack of NO₃ loss in the sampling line and cavity. On the basis of a 0.84 m long open-path cavity, the effective absorption length of ∼5 ...
DOI:
10.1021/acs.analchem.9b01971

67. Native Mass Spectrometry, Ion Mobility, and Collision-Induced Unfolding for Conformational Characterization of IgG4 Monoclonal Antibodies

Author:
Oscar Hernandez-Alba; Elsa Wagner-Rousset; Alain Beck; Sarah Cianférani
Source:
Analytical chemistry 2018 v.90 no.15 pp. 8865-8872
ISSN:
1520-6882
Subject:
gases; immunoglobulin G; markets; mass spectrometry; memory; monitoring; monoclonal antibodies; mutation; therapeutics
Abstract:
... Although the majority of FDA and EMA approved therapeutic monoclonal antibodies (mAbs) are IgG1, the number of IgG4-based formats reaching the market is increasing. IgG4 differs from other mAb isotypes by its specificity to form half mAbs that recombine into bispecific (bsAbs) molecules, through a process termed fab-arm exchange (FAE). We report here the complementarity of native mass spectrometry ...
DOI:
10.1021/acs.analchem.8b00912

68. New Alternating Current Noise Analytics Enables High Discrimination in Gas Sensing

Author:
Huixian Ye; Chen Shi; Jiang Li; Li Tian; Min Zeng; Hui Wang; Qiliang Li
Source:
Analytical chemistry 2019 v.92 no.1 pp. 824-829
ISSN:
1520-6882
Subject:
analytical methods; films (materials); gases; support vector machines; toluene; xylene; zinc oxide
Abstract:
... Feature analysis has been increasingly considered as an important way to enhance the discrimination performance of gas sensors. In this work, a new analytical method based on alternating current noise spectrum is developed to discriminate chemically and structurally similar gases with remarkable performance. Compared with the conventional analytics based on the maximum, integral, and time of respo ...
DOI:
10.1021/acs.analchem.9b03312

69. Optimized Reconstruction Techniques for Multiplexed Dual-Gate Ion Mobility Mass Spectrometry Experiments

Author:
Austen L. Davis; Tobias Reinecke; Kelsey A. Morrison; Brian H. Clowers
Source:
Analytical chemistry 2018 v.91 no.2 pp. 1432-1440
ISSN:
1520-6882
Subject:
gases; ions; mass spectrometry; signal-to-noise ratio; spectral analysis
Abstract:
... When coupling drift-tube gas-phase ion mobility separations with ion trapping mass analyzers an integrative, stepped approach to spectral reconstruction is a logical, yet highly inefficient means to determine gas-phase mobility coefficients. This experimental mode is largely predicated on the respective time scales of the two techniques each requiring tens of milliseconds to complete under routine ...
DOI:
10.1021/acs.analchem.8b04175

70. Pulse-Driven Semiconductor Gas Sensors Toward ppt Level Toluene Detection

Author:
Koichi Suematsu; Wataru Harano; Tokiharu Oyama; Yuka Shin; Ken Watanabe; Kengo Shimanoe
Source:
Analytical chemistry 2018 v.90 no.19 pp. 11219-11223
ISSN:
1520-6882
Subject:
gases; disease detection; semiconductors; humans; neoplasms; electrodes; volatile organic compounds; nanoparticles; toluene
Abstract:
... Improvements in the responses of semiconductor gas sensors and reductions in their detection limits toward volatile organic compounds (VOCs) are required in order to facilitate the simple detection of diseases, such as cancer, through human-breath analysis. In this study, we introduce a heater-switching, pulse-driven, micro gas sensor composed of a microheater and a sensor electrode fabricated wit ...
DOI:
10.1021/acs.analchem.8b03076

71. Quantitative Determination of Protein–Ligand Affinity by Size Exclusion Chromatography Directly Coupled to High-Resolution Native Mass Spectrometry

Author:
Chengfeng Ren; Aaron O. Bailey; Erica VanderPorten; Angela Oh; Wilson Phung; Melinda M. Mulvihill; Seth F. Harris; Yichin Liu; Guanghui Han; Wendy Sandoval
Source:
Analytical chemistry 2018 v.91 no.1 pp. 903-911
ISSN:
1520-6882
Subject:
buffers; detection limit; dissociation; drugs; gases; gel chromatography; indoleamine 2,3-dioxygenase; instrumentation; ligands; mass spectrometry; quantitative analysis; screening; spectrometers
Abstract:
... High throughput protein–ligand interaction screening assays employing mass spectrometric detection are widely used in early stage drug discovery. Mass spectrometry-based screening approaches employ a target protein added to a pool of small-molecule compounds, and binding is assessed by measuring ligands denatured from the complexes. Direct analysis of protein–ligand interactions using native mass ...
DOI:
10.1021/acs.analchem.8b03829

72. Rapid Quantitation of 25-Hydroxyvitamin D2 and D3 in Human Serum Using Liquid Chromatography/Drift Tube Ion Mobility-Mass Spectrometry

Author:
Nicholas R. Oranzi; Jiajun Lei; Robin H. J. Kemperman; Christopher D. Chouinard; Brett Holmquist; Timothy J. Garrett; Richard A. Yost
Source:
Analytical chemistry 2019 v.91 no.21 pp. 13555-13561
ISSN:
1520-6882
Subject:
25-hydroxycholecalciferol; 25-hydroxyergocalciferol; albumins; blood serum; gases; ionization; liquid chromatography; patients; quality control; tandem mass spectrometry
Abstract:
... Ion mobility was integrated with liquid chromatography/high resolution mass spectrometry (LC/IM-HRMS) to quantify 25-hydroxyvitamin D (25OHD) in human serum. It has previously been shown that 25OHD adopts two gas-phase conformations which are resolved using ion mobility; in contrast, the inactive epimer, 3-epi-25-hydroxyvitamin D (epi25OHD), only adopts one. Interference from epi25OHD was eliminat ...
DOI:
10.1021/acs.analchem.9b02683

73. Separation of Isomeric O-Glycans by Ion Mobility and Liquid Chromatography–Mass Spectrometry

Author:
Chunsheng Jin; David J. Harvey; Weston B. Struwe; Niclas G. Karlsson
Source:
Analytical chemistry 2019 v.91 no.16 pp. 10604-10613
ISSN:
1520-6882
Subject:
biosynthesis; carbon; gases; genome; glycosidases; glycosylation; glycosyltransferases; humans; isomers; liquid chromatography; mass spectrometry; mucins; oligosaccharides; spectrometers; swine
Abstract:
... Glycosylation is one of the most important post-translational modifications essential for modulating biological functions on cellular surfaces and within cells. Glycan structures are not predictable from the genome since their biosynthesis is nontemplate driven and subject to multiple sequential and competitive glycosyltransferases/glycosidases. From a structural viewpoint, their analysis presents ...
DOI:
10.1021/acs.analchem.9b01772

74. Structural Diversity of Nucleosomes Characterized by Native Mass Spectrometry

Author:
Kazumi Saikusa; Akihisa Osakabe; Daiki Kato; Sotaro Fuchigami; Aritaka Nagadoi; Yoshifumi Nishimura; Hitoshi Kurumizaka; Satoko Akashi
Source:
Analytical chemistry 2018 v.90 no.13 pp. 8217-8226
ISSN:
1520-6882
Subject:
DNA; electrospray ionization mass spectrometry; gases; histones; ions; molecular dynamics; nucleosomes
Abstract:
... Histone tails, which protrude from nucleosome core particles (NCPs), play crucial roles in the regulation of DNA transcription, replication, and repair. In this study, structural diversity of nucleosomes was investigated in detail by analyzing the observed charge states of nucleosomes reconstituted with various lengths of DNA using positive-mode electrospray ionization mass spectrometry (ESI-MS) a ...
DOI:
10.1021/acs.analchem.8b01649

75. Toward Higher Sensitivity in Quantitative MALDI Imaging Mass Spectrometry of CNS Drugs Using a Nonpolar Matrix

Author:
Ignacy Rzagalinski; Borislav Kovačević; Nadine Hainz; Carola Meier; Thomas Tschernig; Dietrich A. Volmer
Source:
Analytical chemistry 2018 v.90 no.21 pp. 12592-12600
ISSN:
1520-6882
Subject:
anesthetics; brain; calibration; chemical species; desorption; detection limit; electron transfer; energy; gases; image analysis; ionization; isotopes; lipophilicity; matrix-assisted laser desorption-ionization mass spectrometry; mice; molecular weight; xylazine
Abstract:
... Tissue-specific ion suppression is an unavoidable matrix effect in MALDI mass spectrometry imaging (MALDI-MSI), the negative impact of which on precision and accuracy in quantitative MALDI-MSI can be reduced to some extent by applying isotope internal standards for normalization and matrix-matched calibration routines. The detection sensitivity still suffers, however, often resulting in significan ...
DOI:
10.1021/acs.analchem.8b02740

76. A Transferable, Sample-Independent Calibration Procedure for Trapped Ion Mobility Spectrometry (TIMS)

Author:
Mengqi Chai; Meggie N. Young; Fanny C. Liu; Christian Bleiholder
Source:
Analytical chemistry 2018 v.90 no.15 pp. 9040-9047
ISSN:
1520-6882
Subject:
calibration; equations; gases; ions; momentum; spectroscopy
Abstract:
... Ion mobility spectrometry-mass spectrometry (IMS-MS) determines momentum transfer cross sections of ions to elucidate their structures. Recent IMS methods employ electrodynamic fields or nonstationary buffer gases to separate ions. These methods require a calibration procedure to determine ion mobilities from the experimental data. This applies in particular to trapped IMS (TIMS), a novel IMS meth ...
DOI:
10.1021/acs.analchem.8b01326

77. A Turn-On Fluorescent Probe for Detection of Sub-ppm Levels of a Sulfur Mustard Simulant with High Selectivity

Author:
Yuanlin Zhang; Yanlin Lv; Xuefei Wang; Aidong Peng; Kaiquan Zhang; Xiaoke Jie; Jijun Huang; Zhiyuan Tian
Source:
Analytical chemistry 2018 v.90 no.8 pp. 5481-5488
ISSN:
1520-6882
Subject:
Lewis bases; absorption; fluorescence; fluorescent dyes; gases; moieties; wavelengths; xanthenes
Abstract:
... A new type of fluorescent probe capable of detecting a sulfur mustard (SM) simultant at a concentration of 1.2 μM in solution and 0.5 ppm in the gas phase has been developed. Owing to its molecular structure with a thiocarbonyl component and two piperidyl moieties integrated into the xanthene molecular skeleton, this probe underwent a highly selective nucleophilic reaction with the SM simultant an ...
DOI:
10.1021/acs.analchem.8b01057

78. Ultraselective Toluene-Gas Sensor: Nanosized Gold Loaded on Zinc Oxide Nanoparticles

Author:
Koichi Suematsu; Kosuke Watanabe; Akihiro Tou; Yongjiao Sun; Kengo Shimanoe
Source:
Analytical chemistry 2018 v.90 no.3 pp. 1959-1966
ISSN:
1520-6882
Subject:
acetaldehyde; acetone; carbon monoxide; coprecipitation; diffusivity; ethanol; gases; gold; hydrogen; nanogold; nanoparticles; oxidation; sensors (equipment); toluene; zinc oxide
Abstract:
... Selectivity is an important parameter of resistive-type gas sensors that use metal oxides. In this study, a highly selective toluene sensor is prepared using highly dispersed gold-nanoparticle-loaded zinc oxide nanoparticles (Au-ZnO NPs). Au-ZnO NPs are synthesized by coprecipitation and calcination at 400 °C with Au loadings of 0.15, 0.5, and 1.5 mol %. The Au NPs on ZnO are about 2–4 nm in size, ...
DOI:
10.1021/acs.analchem.7b04048

79. Unprecedented Reversible Real-Time Luminescent Sensing of H₂S in the Gas Phase

Author:
Idoia Urriza-Arsuaga; Maximino Bedoya; Guillermo Orellana
Source:
Analytical chemistry 2018 v.91 no.3 pp. 2231-2238
ISSN:
1520-6882
Subject:
absorption; biogas; detection limit; dyes; electrochemistry; electron transfer; fiber optics; gas chromatography; gas production (biological); gases; hydrogen sulfide; landfills; lead acetate; methane; microparticles; monitoring; oil and gas industry; phosphorescence; pulp and paper mills; ruthenium; sewer systems; silica; toxicity; wastes; wastewater treatment
Abstract:
... Hydrogen sulfide monitoring has become essential in the natural gas industry, biogas production, wastewater treatment plants, paper mills, sewers, and landfills of waste due to its toxic, irritating, extremely flammable, and corrosive features. However, each of the current monitoring technologies (gas chromatography, lead acetate tape, electrochemical, UV and NIR absorption) has its own limitation ...
DOI:
10.1021/acs.analchem.8b04811

80. Water-Resistant Polymeric Acid Membrane Catalyst for Acetone Detection in the Exhaled Breath of Diabetics

Author:
Adam D. Worrall; Zexin Qian; Jonathan A. Bernstein; Anastasios P. Angelopoulos
Source:
Analytical chemistry 2018 v.90 no.3 pp. 1819-1826
ISSN:
1520-6882
Subject:
acetone; blood flow; breathing; catalysts; chemical analysis; chemical composition; color; condensation reactions; detectors; flavonoids; gases; humans; organic acids and salts; polymers; relative humidity; resorcinol; solvents; spectroscopy; volatile organic compounds; wavelengths
Abstract:
... Endogenous volatile organic compounds (VOCs) such as acetone in exhaled human breath are associated with metabolic conditions in the bloodstream. Development of compact, rapid detectors of exhaled breath chemical composition in clinical settings is challenging due to the small sample size that can be collected during a single exhalation as well as spectroscopic interference by the abundance of wat ...
DOI:
10.1021/acs.analchem.7b03808

81. Action-Self Quenching: Dimer-Induced Fluorescence Quenching of Chromophores as a Probe for Biomolecular Structure

Author:
Daly Steven; Choi Chang Min; Chirot Fabien; MacAleese Luke; Antoine Rodolphe; Dugourd Philippe
Source:
Analytical chemistry 2017 v.89 no.8 pp. 4604-4610
ISSN:
1520-6882
Subject:
amyloid; cations; fluorescence; gases; mass spectrometry; ubiquitin; wavelengths
Abstract:
... To obtain a more detailed understanding of how structure influences the function and interaction of biomolecules, it is important to develop structure sensitive techniques to probe these relationships. Alongside in vivo and in vitro techniques, it is instructive to consider in vacuo methodologies: for example native mass spectrometry, ion mobility mass spectrometry, and FRET. Here, we propose a no ...
DOI:
10.1021/acs.analchem.7b00152

82. Atomic Force Microscopy Thermally-Assisted Microsampling with Atmospheric Pressure Temperature Ramped Thermal Desorption/Ionization-Mass Spectrometry Analysis

Author:
Hoffmann William D.; Kertesz Vilmos; Srijanto Bernadeta R.; Van Berkel Gary J.
Source:
Analytical chemistry 2017 v.89 no.5 pp. 3036-3042
ISSN:
1520-6882
Subject:
atmospheric pressure; atomic force microscopy; gases; ionization; mass spectrometry; molecular weight; polymers; spectrometers; temperature; thermal degradation
Abstract:
... The use of atomic force microscopy controlled nanothermal analysis probes for reproducible spatially resolved thermally assisted sampling of micrometer-sized areas (ca. 11 × 17 μm wide × 2.4 μm deep) from relatively low number-average molecular weight (Mₙ < 3000) polydisperse thin films of poly(2-vinylpyridine) (P2VP) is presented. Following sampling, the nanothermal analysis probes were moved up ...
DOI:
10.1021/acs.analchem.6b04733

83. BODIPY-Based Fluorescent Sensor for the Recognization of Phosgene in Solutions and in Gas Phase

Author:
Xia Hong-Cheng; Xu Xiang-Hong; Song Qin-Hua
Source:
Analytical chemistry 2017 v.89 no.7 pp. 4192-4197
ISSN:
1520-6882
Subject:
chlorides; colorimetry; ethylene oxide; fluorescence; fluorescent dyes; gases; monitoring; nerve agents; occupational accidents; paper; polyethylene glycol; toxicity
Abstract:
... As a highly toxic and widely used chemical, phosgene has become a serious threat to humankind and public security because of its potential use by terrorists and unexpected release during industrial accidents. For this reason, it is an urgent need to develop facile, fast, and selective detection methods of phosgene. In this Article, we have constructed a highly selective fluorescent sensor o-Pab fo ...
DOI:
10.1021/acs.analchem.7b00203

84. Comparison of CCS Values Determined by Traveling Wave Ion Mobility Mass Spectrometry and Drift Tube Ion Mobility Mass Spectrometry

Author:
Vanessa Hinnenkamp; Julia Klein; Sven W. Meckelmann; Peter Balsaa; Torsten C. Schmidt; Oliver J. Schmitz
Source:
Analytical chemistry 2018 v.90 no.20 pp. 12042-12050
ISSN:
1520-6882
Subject:
databases; gases; ions; karbutilate; mass spectrometry; protonation; sodium; solvents; spectrometers; temperature
Abstract:
... Collision cross section (CCS, Ω) values determined by ion mobility mass spectrometry (IM-MS) provide the study of ion shape in the gas phase and use of these as further identification criteria in analytical approaches. Databases of CCS values for a variety of molecules determined by different instrument types are available. In this study, the comparability of CCS values determined by a drift tube ...
DOI:
10.1021/acs.analchem.8b02711

85. Compound-Specific Sulfur Isotope Analysis of Petroleum Gases

Author:
Said-Ahmad Ward; Wong Kenneth; Mcnall Monaca; Shawar Lubna; Jacksier Tracey; Turich Courtney; Stankiewicz Artur; Amrani Alon
Source:
Analytical chemistry 2017 v.89 no.5 pp. 3199-3207
ISSN:
1520-6882
Subject:
gas chromatography; gases; heart; hydrogen sulfide; isotopes; methane; organic sulfur compounds; petroleum; pyrolysis; spectrometers; sulfur; thermal conductivity
Abstract:
... We describe a simple, sensitive, and robust method for sulfur isotope ratio (³⁴S/³²S) analysis of ppm-level organic sulfur compounds (OSCs) in the presence of percent-level H₂S. The method uses a gas chromatograph (GC) coupled with a multicollector inductively coupled plasma mass spectrometer (MC-ICPMS). The GC, equipped with a gas inlet and a valve that transfers the H₂S to a thermal conductivity ...
DOI:
10.1021/acs.analchem.6b05131

86. Cyclic-Voltammetry-Based Solid-State Gas Sensor for Methane and Other VOC Detection

Author:
Pierre-Alexandre Gross; Thomas Jaramillo; Beth Pruitt
Source:
Analytical chemistry 2018 v.90 no.10 pp. 6102-6108
ISSN:
1520-6882
Subject:
ambient temperature; carbon dioxide; carbon monoxide; electrochemistry; electrodes; electrolytes; gases; methane; nitrogen; oxidation; polymers; protons; thermodynamics; volatile organic compounds
Abstract:
... We present the fabrication, characterization, and testing of an electrochemical volatile organic compound (VOC) sensor operating in gaseous conditions at room temperature. It is designed to be microfabricated and to prove the sensing principle based on cyclic voltammetry (CV). It is composed of a working electrode (WE), a counter electrode (CE), a reference electrode (RE), and a Nafion solid-state ...
DOI:
10.1021/acs.analchem.8b00184

87. Determination of Collision Cross-Sections of Protein Ions in an Orbitrap Mass Analyzer

Author:
James D. Sanders; Dmitry Grinfeld; Konstantin Aizikov; Alexander Makarov; Dustin D. Holden; Jennifer S. Brodbelt
Source:
Analytical chemistry 2018 v.90 no.9 pp. 5896-5902
ISSN:
1520-6882
Subject:
cytochrome c; gases; ionization; ions; mass spectrometry; myoglobin; salt content; ubiquitin
Abstract:
... We demonstrate a method for determining the collision cross-sections (CCSs) of protein ions based on the decay rate of the time-domain transient signal from an Orbitrap mass analyzer. Multiply charged ions of ubiquitin, cytochrome c, and myoglobin were generated by electrospray ionization of both denaturing solutions and ones with high salt content to preserve native-like structures. A linear rela ...
DOI:
10.1021/acs.analchem.8b00724

88. Differentiating Antibiotic-Resistant Staphylococcus aureus Using Secondary Electrospray Ionization Tandem Mass Spectrometry

Author:
Haorong Li; Jiangjiang Zhu
Source:
Analytical chemistry 2018 v.90 no.20 pp. 12108-12115
ISSN:
1520-6882
Subject:
amino acids; ampicillin; antibiotic resistance; bacterial culture; discriminant analysis; electrospray ionization mass spectrometry; gases; headspace analysis; least squares; metabolites; metabolome; metabolomics; methicillin-resistant Staphylococcus aureus; monitoring; organic acids and salts; stress response; tandem mass spectrometry; volatile organic compounds
Abstract:
... Secondary electrospray ionization mass spectrometry (SESI-MS) is an innovative metabolomics approach that primarily focuses on the gas-phase analyte detection. In this study, we developed a secondary electrospray ionization tandem mass spectrometry (SESI-MS/MS) method with a homemade SESI-MS front end, for sensitive, reproducible and selective detection of headspace volatile organic compounds (VOC ...
DOI:
10.1021/acs.analchem.8b03029

89. Direct Raman Spectroscopic Measurements of Biological Nitrogen Fixation under Natural Conditions: An Analytical Approach for Studying Nitrogenase Activity

Author:
Jochum Tobias; Fastnacht Agnes; Trumbore Susan E.; Popp Jürgen; Frosch Torsten
Source:
Analytical chemistry 2017 v.89 no.2 pp. 1117-1122
ISSN:
1520-6882
Subject:
Medicago; Rhizobium; bacteria; carbon dioxide; denitrification; ecosystems; fertilizers; gases; isotope labeling; laboratory experimentation; legumes; mixing; nitrogen; nitrogen fixation; nitrogenase; photosynthesis; spectral analysis; spectroscopy
Abstract:
... Biological N₂ fixation is a major input of bioavailable nitrogen, which represents the most frequent factor limiting the agricultural production throughout the world. Especially, the symbiotic association between legumes and Rhizobium bacteria can provide substantial amounts of nitrogen (N) and reduce the need for industrial fertilizers. Despite its importance in the global N cycle, rates of biolo ...
DOI:
10.1021/acs.analchem.6b03101

90. Distinguishing Cis and Trans Isomers in Intact Complex Lipids Using Electron Impact Excitation of Ions from Organics Mass Spectrometry

Author:
Takashi Baba; J. Larry Campbell; J. C. Yves Le Blanc; Paul R. S. Baker
Source:
Analytical chemistry 2017 v.89 no.14 pp. 7307-7315
ISSN:
1520-6882
Subject:
Western diets; cattle; chemical bonding; cis-trans isomers; dairy products; electrons; gases; hydrogen; ions; mass spectrometry; phosphatidylcholines; reaction mechanisms; sphingomyelins; trans fatty acids; triacylglycerols
Abstract:
... We present a mass spectrometry-based method for the identification of cis and trans double-bond isomers within intact complex lipid mixtures using electron impact excitation of ions from organics (EIEIO) mass spectrometry. EIEIO involves irradiating singly charged lipid ions with electrons having kinetic energies of 5–16 eV. The resulting EIEIO spectra can be used to discern cis and trans double-b ...
DOI:
10.1021/acs.analchem.6b04734

91. Drift Tube Ion Mobility: How to Reconstruct Collision Cross Section Distributions from Arrival Time Distributions?

Author:
Marchand Adrien; Livet Sandrine; Rosu Frédéric; Gabelica Valérie
Source:
Analytical chemistry 2017 v.89 no.23 pp. 12674-12681
ISSN:
1520-6882
Subject:
calibration; gases; ions; spectroscopy
Abstract:
... Ion mobility spectrometry allows one to determine ion collision cross sections, which are related to ion size and shape. Collision cross sections (CCS) are usually discussed based on the peak center, yet the width of each peak contains further information on the distribution of collision cross sections of each conformational ensemble. Here, we analyze how to convert arrival time distributions (ATD ...
DOI:
10.1021/acs.analchem.7b01736

92. ESI-IM-MS and Collision-Induced Unfolding That Provide Insight into the Linkage-Dependent Interfacial Interactions of Covalently Linked Diubiquitin

Author:
Wagner Nicole D.; Clemmer David E.; Russell David H.
Source:
Analytical chemistry 2017 v.89 no.18 pp. 10094-10103
ISSN:
1520-6882
Subject:
electrostatic interactions; gases; hydrophobic bonding; hydrophobicity; ionization; ions; post-translational modification; protein binding; protein unfolding; spectroscopy
Abstract:
... Understanding protein higher order structure and interfacial interactions is crucial to understanding protein binding motifs and cellular function, that is, an interactome. Polyubiquitylation is a post-translational modification that functions as a tag for a diverse array of cellular processes, wherein differences in chain length, branching, and linkage site encode different cellular functions. In ...
DOI:
10.1021/acs.analchem.7b02932

93. Engineering Nanodisc Scaffold Proteins for Native Mass Spectrometry

Author:
Reid Deseree J.; Keener James E.; Wheeler Andrew P.; Zambrano Dane Evan; Diesing Jessica M.; Reinhardt-Szyba Maria; Makarov Alexander; Marty Michael T.
Source:
Analytical chemistry 2017 v.89 no.21 pp. 11189-11192
ISSN:
1520-6882
Subject:
dissociation; engineering; gases; lipid bilayers; lipoproteins; mass spectrometry; membrane proteins; mixing; mutants; scaffolding proteins; stoichiometry
Abstract:
... Lipoprotein nanodiscs are ideally suited for native mass spectrometry because they provide a relatively monodisperse nanoscale lipid bilayer environment for delivering membrane proteins into the gas phase. However, native mass spectrometry of nanodiscs produces complex spectra that can be challenging to assign unambiguously. To simplify interpretation of nanodisc spectra, we engineered a series of ...
DOI:
10.1021/acs.analchem.7b03569

94. Extended Protein Ions Are Formed by the Chain Ejection Model in Chemical Supercharging Electrospray Ionization

Author:
Donor Micah T.; Ewing Simon A.; Zenaidee Muhammad A.; Donald William A.; Prell James S.
Source:
Analytical chemistry 2017 v.89 no.9 pp. 5107-5114
ISSN:
1520-6882
Subject:
amino acid composition; beta-lactoglobulin; bovine serum albumin; disulfide bonds; evaporation; gases; ionization; ions; lysozyme; models; spectroscopy
Abstract:
... Supercharging electrospray ionization can be a powerful tool for increasing charge states in mass spectra and generating unfolded ion structures, yet key details of its mechanism remain unclear. The structures of highly extended protein ions and the mechanism of supercharging were investigated using ion mobility-mass spectrometry. Head-to-tail-linked polyubiquitins (Ubq₁–₁₁) were used to determine ...
DOI:
10.1021/acs.analchem.7b00673

95. Fast and Simultaneous Determination of Gas Diffusivities and Solubilities in Liquids Employing a Thin-Layer Cell Coupled to a Mass Spectrometer, Part I: Setup and Methodology

Author:
Pawel Peter Bawol; Philip Heinrich Reinsberg; Helmut Baltruschat
Source:
Analytical chemistry 2018 v.90 no.24 pp. 14145-14149
ISSN:
1520-6882
Subject:
diffusivity; dimethyl sulfoxide; gases; geometry; liquids; oxygen; solubility; spectrometers
Abstract:
... Transport properties and solubilities of volatile species in liquid solutions are of high interest in different chemical, biological, and physical systems. In this work, a new approach for determining the diffusivity and solubility of gases in liquids simultaneously is presented. The method presented relies on the diffusion of a volatile species through a thin, liquid layer and the subsequent dete ...
DOI:
10.1021/acs.analchem.8b04319

96. Gas-Phase Hydrogen/Deuterium Exchange for Distinguishing Isomeric Carbohydrate Ions

Author:
Uppal Sanjit S.; Beasley Sarah E.; Scian Michele; Guttman Miklos
Source:
Analytical chemistry 2017 v.89 no.8 pp. 4737-4742
ISSN:
1520-6882
Subject:
deuterium; gases; glycoconjugates; ions; mass spectrometry; stereoisomers
Abstract:
... The structural diversity of carbohydrates presents a major challenge for glycobiology and the analysis of glycoconjugates. Mass spectrometry has become a primary tool for glycan analysis thanks to its speed and sensitivity, but the information content regarding the glycan structure of protonated glycoconjugates is hindered by the inability to differentiate linkage and stereoisomers. Here, we exami ...
DOI:
10.1021/acs.analchem.7b00683

97. Gastight Hydrodynamic Electrochemistry: Design for a Hermetically Sealed Rotating Disk Electrode Cell

Author:
Jung Suho; Kortlever Ruud; Jones Ryan J. R.; Lichterman Michael F.; Agapie Theodor; McCrory Charles C. L.; Peters Jonas C.
Source:
Analytical chemistry 2017 v.89 no.1 pp. 581-585
ISSN:
1520-6882
Subject:
alloys; electrochemistry; electrodes; equations; gases; headspace analysis; hydrodynamics; iron; oxygen production; potassium
Abstract:
... Rotating disk electrodes (RDEs) are widely used in electrochemical characterization to analyze the mechanisms of various electrocatalytic reactions. RDE experiments often make use of or require collection and quantification of gaseous products. The combination of rotating parts and gaseous analytes makes the design of RDE cells that allow for headspace analysis challenging due to gas leaks at the ...
DOI:
10.1021/acs.analchem.6b04228

98. H-D Analysis Employing Low-Pressure microjoule Picosecond Laser-Induced Breakdown Spectroscopy

Author:
Lie Zener Sukra; Pardede Marincan; Jobiliong Eric; Suyanto Hery; Kurniawan Davy Putra; Hedwig Rinda; Ramli Muliadi; Khumaeni Ali; Lie Tjung Jie; Kurniawan Koo Hendrik; Kagawa Kiichiro; Tjia May On
Source:
Analytical chemistry 2017 v.89 no.9 pp. 4951-4957
ISSN:
1520-6882
Subject:
argon (noble gases); detection limit; deuterium; deuterium oxide; emissions factor; gases; nuclear power; power plants; quantitative analysis; quartz; spectroscopy; surface water; water power
Abstract:
... An experimental study is conducted in search of the much needed experimental method for practical and minimally destructive analysis of hydrogen (H) and deuterium (D) in a nuclear power plant. For this purpose, a picosecond (ps) Nd:YAG laser is employed and operated with 300–500 μJ output energies in a variety of ambient gases at various gas pressures. The sample chamber used is specially designed ...
DOI:
10.1021/acs.analchem.7b00245

99. High-Efficiency Microflow and Nanoflow Negative Electrospray Ionization of Peptides Induced by Gas-Phase Proton Transfer Reactions

Author:
Nišavić Marija; Hozić Amela; Hameršak Zdenko; Radić Martina; Butorac Ana; Duvnjak Marija; Cindrić Mario
Source:
Analytical chemistry 2017 v.89 no.9 pp. 4847-4854
ISSN:
1520-6882
Subject:
additives; amino acids; electrospray ionization mass spectrometry; gases; glycosylation; ionization; ions; liquid chromatography; mechanism of action; peptides; phosphorylation; proteomics; protons
Abstract:
... Liquid chromatography coupled with electrospray ionization mass spectrometry (ESI-MS) is routinely used in proteomics research. Mass spectrometry-based peptide analysis is performed de facto in positive-ion mode, except for the analysis of some post-translationally modified peptides (e.g., phosphorylation and glycosylation). Collected mass spectrometry data after peptide negative ionization analys ...
DOI:
10.1021/acs.analchem.6b04466

100. High-Pressure Ozone-Induced Dissociation for Lipid Structure Elucidation on Fast Chromatographic Timescales

Author:
Poad Berwyck L. J.; Green Martin R.; Kirk Jayne M.; Tomczyk Nick; Mitchell Todd W.; Blanksby Stephen J.
Source:
Analytical chemistry 2017 v.89 no.7 pp. 4223-4229
ISSN:
1520-6882
Subject:
dissociation; gases; ions; ozone; phosphatidylcholines; spectrometers; spectroscopy; ultra-performance liquid chromatography
Abstract:
... Ozone-induced dissociation (OzID) is a novel ion activation technology that exploits the gas-phase reaction between mass-selected ions and ozone inside a mass spectrometer to assign sites of unsaturation in complex lipids. Since it was first demonstrated [Thomas et al. Anal. Chem. 2008, 80, 303], the method has been widely deployed for targeted lipid structure elucidation but its application to hi ...
DOI:
10.1021/acs.analchem.7b00268