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Imaging with mass spectrometry: Which ionization technique is best? J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-16 Boone M. Prentice
The use of mass spectrometry (MS) to acquire molecular images of biological tissues and other substrates has developed into an indispensable analytical tool over the past 25 years. Imaging mass spectrometry technologies are widely used today to study the in situ spatial distributions for a variety of analytes. Early MS images were acquired using secondary ion mass spectrometry and matrix‐assisted laser
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Enhancing drug development and clinical studies with patient‐centric sampling using microsampling techniques: Opportunities, challenges, and insights into liquid chromatography‐mass spectrometry strategies J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-16 Zhuo Chen, Christopher C. Goudarzi, Timothy W. Sikorski, Naidong Weng
Microsampling has revolutionized pharmaceutical drug development and clinical research by reducing sample volume requirements, allowing sample collection at home or nontraditional sites, minimizing animal and patient burden, and enabling more flexible study designs. This perspective paper discusses the transformative impact of microsampling and patient‐centric sampling (PCS) techniques, emphasizing
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Perspective: The complex relationship between charge, mobility, and gas‐phase protein structure J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Ian K. Webb
Ion mobility spectrometry coupled to mass spectrometry (IMS/MS) is a widely used tool for biomolecular separations and structural elucidation. The application of IMS/MS has resulted in exciting developments in structural proteomics and genomics. This perspective gives a brief background of the field, addresses some of the important issues in making structural measurements, and introduces complementary
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High‐resolution ion mobility separations coupled to mass spectrometry: What's next? J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Gabe Nagy
Herein, I provide a personal perspective on high‐resolution multipass ion mobility spectrometry‐mass spectrometry (IMS‐MS), with a specific emphasis on cyclic (cIMS) and structures for lossless ion manipulations (SLIM IMS)‐based separations. My overarching goal for this perspective was to detail what I believe will be the key important areas in which IMS‐MS will help shape the bioanalytical community
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From the grapevine to the glass: A wine metabolomics tale by FT‐ICR‐MS J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Marta Sousa Silva, Mónica Soeiro, Carlos Cordeiro
Wine is one of the most consumed beverages around the world. Its unique characteristics arise from numerous processes, from the selection of grapevine varieties and grapes, the effect of the terroir and geographical origin, through the biochemical process of fermentation by microorganisms, until its aging. All molecules found in wine define its chemical fingerprint and can be used to tell the story
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The future role of mass spectrometry in proteomics: Embracing new technologies and building bridges for higher impact J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Lindsay K. Pino
CONFLICT OF INTEREST STATEMENT L. K. P. is the cofounder of Talus Bioscience, Inc., a company developing anticancer therapeutics using mass spectrometry proteomics.
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Investigating direct current potentials that affect native protein conformation during trapped ion mobility spectrometry–mass spectrometry J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Robert L. C. Voeten, Hany A. Majeed, Tijmen S. Bos, Govert W. Somsen, Rob Haselberg
Trapped ion mobility spectrometry–time‐of‐flight mass spectrometry (TIMS‐TOFMS) has emerged as a tool to study protein conformational states. In TIMS, gas‐phase ions are guided across the IM stages by applying direct current (DC) potentials (D1–6), which, however, might induce changes in protein structures through collisional activation. To define conditions for native protein analysis, we evaluated
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Simultaneous quantitation of 15 bioactive components in Yupingfeng granules by LC–MS/MS J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Le‐yi Huang, Dao‐feng Chen, Tong Wu, Yong‐jian Gao
Yupingfeng granules (YPFG) is commonly used in the treatment of immunological diseases, inflammations, and pulmonary diseases. Several studies have found that chromones, flavones, and saponins were the major bioactive compounds of YPFG. However, few studies have reported accurate quantification methods of these compounds. This study aimed to establish a simple and rapid method by using liquid chromatography–tandem
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Removal of isobaric interference using pseudo‐multiple reaction monitoring and energy‐resolved mass spectrometry for the isotope dilution quantification of a tryptic peptide J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-12 Alicia Maroto, Dany Jeanne dit Fouque, Rémy Lartia, Antony Memboeuf
Energy‐resolved mass spectrometry (ERMS) and an isotopically labelled internal standard were successfully combined to accurately quantify a tryptic peptide despite the presence of an isobaric interference. For this purpose, electrospray ionisation tandem mass spectrometry (ESI‐MS/MS) experiments were conducted into an ion trap instrument using an unconventional 8 m/z broadband isolation window, which
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-09
No abstract is available for this article.
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Quantitative mass spectrometry imaging (qMSI): A tutorial By Russell R. Kibbe and David C. Muddiman J. Mass Spectrom. (IF 2.3) Pub Date : 2024-04-08 Russell R. Kibbe, David C. Muddiman
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Characterization of PEGylation sites in Neulasta and a biosimilar candidate with a combined fragmentation strategy in mass spectrometry analysis J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-22 Navin Rauniyar, Alyssa J. Togle, Rachel A. Ronci, Diego Reyes, Xuemei Han
In the development of biosimilar products to Neulasta, it is essential to determine the intact molecular mass and confirm precise PEGylation sites. In this study, we applied a combination of techniques, including post‐column addition of triethylamine in reversed‐phase liquid chromatography–mass spectrometry (RPLC‐MS) to determine the intact molecular mass, and in‐source fragmentation (ISF) and higher‐energy
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Simplified processing and rapid quantification of buprenorphine, norbuprenorphine, and their conjugated metabolites in human plasma using UPLC–MS/MS: Assessment of buprenorphine exposure during opioid use disorder treatment J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-19 Wenchen Zhao, Osama Y. Alshogran, Hongfei Zhang, Anand Joshi, Elizabeth E. Krans, Steve Caritis, Imam H. Shaik, Raman Venkataramanan
Opioid use disorder (OUD) is a chronic neurobehavioral ailment and is prevalent in pregnancy. OUD is commonly treated with methadone or buprenorphine (BUP). Pregnancy is known to alter the pharmacokinetics of drugs and may lead to changes in drug exposure and response. A simple, specific, and sensitive analytical method for measuring the parent drug and its metabolites is valuable for assessing the
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Crowd control of ions in the Astral analyzer J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-19 Hamish Stewart, Dmitry Grinfeld, Johannes Petzoldt, Bernd Hagedorn, Michael Skoblin, Alexander Makarov, Christian Hock
Space charge effects are the Achilles' heel of all high‐resolution ion optical devices. In time‐of‐flight mass analyzers, these may manifest as reduction of resolving power, mass measurement shift, peak coalescence, and/or transmission losses, while highly sensitive modern ion sources and injection devices ensure that such limits are easily exceeded. Space charge effects have been investigated, by
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Quantitative mass spectrometry imaging (qMSI): A tutorial J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-16 Russell R. Kibbe, David C. Muddiman
Mass spectrometry imaging (MSI) is an analytical technique that enables the simultaneous detection of hundreds to thousands of chemical species while retaining their spatial information; usually, MSI is applied to biological tissues. Combining these elements can create ion images, which allows for the identification and localization of multiple chemical species within the sample. Being able to produce
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Estimation of thermodynamic and physicochemical properties of the alkali astatides: On the bond strength of molecular astatine (At2) and the hydration enthalpy of astatide (At−) J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-16 Peter C. Burgers, Lona Zeneyedpour, Theo M. Luider, John L. Holmes
The recent accurate and precise determination of the electron affinity (EA) of the astatine atom At0 warrants a re‐investigation of the estimated thermodynamic properties of At0 and astatine containing molecules as this EA was found to be much lower (by 0.4 eV) than previous estimated values. In this contribution we estimate, from available data sources, the following thermodynamic and physicochemical
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Discerning the stability behaviour of mavacamten availing liquid chromatography‐mass spectrometry and nuclear magnetic resonance spectroscopy: In silico toxicity and mutagenicity prediction of degradation products J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-06 Vijaya Madhyanapu Golla, Mallika Kalyan, Upasana Gholap, Hara Prasad Padhy, Roshitha K. Ramachandran, Gananadhamu Samanthula
The present study aimed to separate, identify, and characterise the degradation products formed when mavacamten is exposed to stress degradation as well as the stability of the drug in various environments and also to understand its degradation chemistry. Prediction of in silico toxicity and mutagenicity was aimed at the observed degradation products. Stress degradation along with stability studies
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-06
No abstract is available for this article.
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Spatial neurolipidomics—MALDI mass spectrometry imaging of lipids in brain pathologies J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-06 Durga Jha, Kaj Blennow, Henrik Zetterberg, Jeffrey N. Savas, Jörg Hanrieder
Given the complexity of nervous tissues, understanding neurochemical pathophysiology puts high demands on bioanalytical techniques with respect to specificity and sensitivity. Mass spectrometry imaging (MSI) has evolved to become an important, biochemical imaging technology for spatial biology in biological and translational research. The technique facilitates comprehensive, sensitive elucidation of
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A general, most basic rule for ion dissociation: Protonated molecules J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-06 Adriano Reis, Rodinei Augusti, Marcos N. Eberlin
Contrary to the common but potentially misleading belief that when a protonated molecule is excited, it is its most stable protomer that will mandatorily dissociate, we demonstrate herein that, when rationalizing or predicting the chemistry of such ions, we should always search for the most labile protomer. This “most labile protomer” rule, based on the mobile proton model, states therefore that when
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Integrating density functional theory and chemical ionization mass spectrometry techniques to assess benzophenone derivatives in food packaging: implications for enhancing food quality and safety J. Mass Spectrom. (IF 2.3) Pub Date : 2024-03-06 Manjeet Bhatia
Benzophenone and related derivatives are widely used as photoinitiators for food packaging to cure inks or lacquers with ultraviolet (UV) light on cardboard and paper. However, there are concerns about the potential health risks of their migration into food. Knowing the physical and chemical properties of benzophenone and its derivatives could play a significant role in their quantification and analysis
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2024-02-21
No abstract is available for this article.
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Mass spectrometric study of low energy Cs+ ion-induced sputtered fragmentation of PADC polymer J. Mass Spectrom. (IF 2.3) Pub Date : 2024-02-04 Muhammad Sabbtain Abbas, Bilal Jehanzaib, Shahzad Hussain, Abid Mahmood, Riaz Ahmad
In this study, low-energy cesium (Cs+) ion-induced sputtered fragmentation of poly allyl diglycol carbonate (PADC) was investigated using mass spectrometry. The collision-induced dissociation mechanism revealed emission of various fragments, including monoatomic (H−, C1−, O1−), diatomic (C2−), and multiatomic (C3−, CO2−, C2O2−, C3O2−) species within the Cs+ ion energy range of 1–5 keV. The anion current
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What a difference a chlorine makes: The remarkable unimolecular ion chemistry of phenyl formate and phenyl chloroformate J. Mass Spectrom. (IF 2.3) Pub Date : 2024-02-04 Bethany Lowe, Alejandro L. Cardona, Juana Salas, Andras Bodi, Paul M. Mayer, Maxi A. Burgos Paci
Imaging photoelectron photoion coincidence (iPEPICO) spectroscopy and tandem mass spectrometry were employed to explore the ionisation and dissociative ionisation of phenyl formate (PF) and phenyl chloroformate (PCF). The threshold photoelectron spectra of both compounds are featureless and lack a definitive origin transition, owing to the internal rotation of the formate functional group relative
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Comparison of radium-226 separation methods based on chromatographic and extraction resins for its determination by ICP-MS in drinking waters J. Mass Spectrom. (IF 2.3) Pub Date : 2024-02-04 Marine Roulier, Pascale Anabelle Baya, Steeve Roberge, Dominic Larivière
Over the past century, human activities have contributed to the release of 226Ra (t½ = 1,600 y) in the environment, increasing the potential risks for human exposure and thus prompting scientists to monitor it. Inductively coupled plasma mass spectrometry (ICP-MS) is an alternative to alpha-spectrometry for the quantification of 226Ra. However, the performances of radioanalytical procedures are rarely
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Addressing challenges with evaluating hydrogen-selective membrane performance by quadrupole mass spectrometry J. Mass Spectrom. (IF 2.3) Pub Date : 2024-02-02 Ardita Kurtishaj, Marko Žumer, Vincenc Nemanič, Uroš Cvelbar
Hydrogen separation using nanostructured membranes has gained research attention because of its potential to produce high-purity hydrogen by separating gases at the molecular level. Quadrupole mass spectrometry (QMS) is one method to evaluate these membranes' effectiveness in separating hydrogen from gas mixtures. However, quantifying gases in a mixture with QMS is challenging, especially when heavier
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Ion mobility–tandem mass spectrometry of bulky tert-butyl thiol ligated gold nanoparticles J. Mass Spectrom. (IF 2.3) Pub Date : 2024-01-24 Kalpani H. Wijesinghe, Christopher Hood, Daniell Mattern, Laurence A. Angel, Amala Dass
Gold nanoparticles (AuNPs) synthesized in the 1–3 nm range have a specific number of gold core atoms and outer protecting ligands. They have become one of the “hot topics” in recent decades because of their interesting physical and chemical properties. The characterization of their structures is usually achieved by crystal X-ray diffraction although the structures of some AuNPs remain unknown because
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Assessing the performance of a targeted absolute quantification isotope dilution liquid chromatograhy tandem mass spectrometry assay versus a commercial nontargeted relative quantification assay for detection of three major perfluoroalkyls in human blood J. Mass Spectrom. (IF 2.3) Pub Date : 2024-01-23 Samira Salihovic, Linda Dunder, Monica Lind, Lars Lind
Isotope dilution ultrahigh-performance liquid chromatography coupled to tandem mass spectrometry (UHPLC–MS/MS) is commonly used for trace analysis of polyfluoroalkyl and perfluoroalkyl substances (PFAS) in difficult matrices. Commercial nontargeted analysis of major PFAS where relative concentrations are obtained cost effectively is rapidly emerging and is claimed to provide comparable results to that
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Application of sandpaper spray ionization mass spectrometry to comprehensively examine maple leaves infected with distinct fungi J. Mass Spectrom. (IF 2.3) Pub Date : 2024-01-23 Leonardo Parasecolo, Laurentiu G. Dabija, Rani Shouk, Dani Shouk, Rodinei Augusti, Demian R. Ifa
This study describes a novel application for sandpaper spray ionization mass spectrometry (SPS-MS), to examine the surface of maple tree (Acer sp.) leaves. By comparing mass spectrometry fingerprints, healthy leaves from those infected with powdery mildew and Rhytisma acerinum were distinguished. Leaves were grated with sandpaper, cut into triangles, and placed before the mass spectrometer, with the
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2024-01-21
No abstract is available for this article.
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One-step functionalization of paper and simplified antibody immobilization for on-the-spot immunocapture from dried serum in liquid chromatography-tandem mass spectrometry based targeted protein determination J. Mass Spectrom. (IF 2.3) Pub Date : 2024-01-10 Ago Mrsa, Greta Nardini, Trine Grønhaug Halvorsen, Bernd Thiede, Léon Reubsaet
This work aimed to simplify and improve the process of binding monoclonal antibodies (mAbs) covalently to filter paper for use in dried blood spot sampling, enabling instant capture of protein biomarkers for targeted protein determination. Incorporating the necessary immunocapture sample preparation step in the initial sampling stage saves time and reduces the workload. The biomarker human chorionic
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Chromatographic–mass spectrometric analysis of peptidic analytes (2–10 kDa) in doping control urine samples J. Mass Spectrom. (IF 2.3) Pub Date : 2024-01-10 Andreas Thomas, Katja Walpurgis, Mario Thevis
Peptides with a molecular mass between 2 and 10 kDa that are prohibited in elite sports usually require dedicated sample preparation and mass spectrometric detection that commonly cannot be combined with other (lower molecular mass) substances. In most instances, the physicochemical differences are too significant to allow for a generic analytical procedure. A simplification of established and comparably
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Does deprotonated benzoic acid lose carbon monoxide in collision-induced dissociation? J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-25 Yingying Liu, Xue Wang, Danyang Zhang, Chen Wang, Haijiao Xie, Hongping Chen, Yunfeng Chai
Decarboxylation is known to be the major fragmentation pathway for the deprotonated carboxylic acids in collision-induced dissociation (CID). However, in the CID mass spectrum of deprotonated benzoic acid (m/z 121) recorded on a Q-orbitrap mass spectrometer, the dominant peak was found to be m/z 93 instead of the anticipated m/z 77. Based on theoretical calculations, 18O-isotope labeling and MS3 experiments
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Combining surface-enhanced Raman spectroscopy and paper spray mass spectrometry for the identification and confirmation of psychotropic substances in alcoholic beverages J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-25 Marina Jurisch, Cristiano Fantini, Rodinei Augusti, Mariana Ramos Almeida
Criminal practices in which an individual becomes vulnerable and prone to sexual assault after ingesting drinks spiked with doping substances have become a social concern globally. As forensic protocols require a multi-tiered strategy for chemical evidentiary analysis, the backlog of evidence has become a significant problem in the community. Herein, a fast, sensible, and complementary dual analytical
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Prototyping an ionization source for non-engineers J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-21 Kevan T. Knizner, Seth M. Eisenberg, David C. Muddiman
Novel mass spectrometry (MS) based analytical platforms have enabled scientists to detect and quantify molecules within biological and environmental samples more accurately. Novel MS instrumentation starts as a prototype and, after years of development, can become a commercial product to be used by the larger MS community. Without the initial prototype, many MS-based instruments today would not be
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Performance of collagen-based matrices from Nile tilapia skin: A pilot proteomic study in a murine model of wound healing J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-18 Cláudia B. A. Medeiros, Iasmim Lopes de Lima, Thiago Barbosa Cahú, Bruna R. Muniz, Maria Helena M. L. Ribeiro, Érico Higino de Carvalho, Marcos Nogueira Eberlin, Marcelo J. B. Miranda, Ranilson de Souza Bezerra, Roberto Afonso da Silva, José Luiz de Lima Filho
Full-thickness cutaneous trauma, due to the lack of dermis, leads to difficulty in epithelialization by keratinocytes, developing a fibrotic scar, with less elasticity than the original skin, which may have disorders in predisposed individuals, resulting in hypertrophic scar and keloids. Biomedical materials have excellent characteristics, such as good biocompatibility and low immunogenicity, which
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A new absolute quantitative method for peptide and metabolite detection J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-18 Carlo Brogna, Simone Cristoni
Mass spectrometry is widely employed in various analytical fields for both compound identification and quantification. While in the case of compound identification, the high-resolution instrument has increased selectivity and characterization efficiency; in the case of quantitative analysis, some critical tasks actually remain. In particular, different compounds exhibit different ionization efficiency
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Advancing the analytical toolkit in the investigation of vector mosquito host biting site selection J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-18 Madelien Wooding, Tyren Dodgen, Egmont R. Rohwer, Yvette Naudé
High-resolution mass spectrometry and ion mobility spectrometry provide additional confidence in biological marker discovery and elucidation by adding additional peak capacity through physiochemical separation orthogonal to chromatography. Sophisticated analytical techniques have proved valuable in the identification of human skin surface chemicals used by vector mosquitoes to find their human host
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LC–MS/MS analysis of coccidiostats in meat supply chain safety J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-18 Claudia Ancillotti, Lisa Bonciani, Davide Passerini, Giulia Scanavini, Roberto Riccio
The presence of coccidiostats in meat products represents an important topic because of the animal administration of these substances, authorized as feed additives for targeted species, in order to prevent and inhibit coccidiosis. Coccidiostats include both ionophores and synthetic molecules characterized by different chemical–physical properties such as polarity. Meat is a matrix characterized by
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Software-assisted automated detection and identification of “unknown” fentanyl analogues J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-18 Eyal Drug, Dana Marder, Iris Binyamin, Dina Yeffet, Eytan Gershonov, Shai Dagan
Fentanyl and its non-pharmaceutical analogues (NPFs) are potent synthetic opioids, traditionally used for pain management, with ever-increasing illicit uses. Tightening the regulation for known fentanyls leads to new synthetic analogues in the opioid market. Furthermore, the Organization for the Prohibition of Chemical Weapons (OPCW) has recently issued a decision regarding aerosolized use of central
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An analytical approach for on-site analysis of breath samples for Δ9-tetrahydrocannabinol (THC) J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-18 Jack Henion, Changtong Hao, Daniel Eikel, Olof Beck, Peter Stambeck
Increased acceptance of cannabis containing the psychoactive component, Δ9-tetrahydrocannabinol (THC), raises concerns about the potential for impaired drivers and increased highway accidents. In contrast to the “breathalyzer” test, which is generally accepted for determining the alcohol level in a driver, there is no currently accepted roadside test for THC in a motorist. There is a need for an easily
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2023-12-11
No abstract is available for this article.
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Characterization of isomeric acetyl amino acids and di-acetyl amino acids by LC/MS/MS J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-29 Addipilli Ramunaidu, Pallerla Pavankumar, Nagarjunachary Ragi, Rodda Ramesh, Medicharla V. Jagannatham, Prabhakar Sripadi
Acetylation of amino acids is important in the molecular biology and biochemistry because they are part of several metabolic pathways. N-acetyl amino acids can form through degradation of N-acetyl proteins or direct acetylation of amino acids by specific enzymes. Acetylation of α-amino acids can be either on the alpha –NH2 or on the side-chain functional group, where both the acetyl products are isomeric
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Modelling some rod set imperfections of a quadrupole mass filter J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-21 Pavel V. Bugrov, Aleksey A. Sysoev, Nikolai V. Konenkov
The problem of modeling the mass peak shape of a quadrupole mass filter (QMF) with round rods is considered. A number of factors leading to the degradation of the mass peak shape are studied, namely, displacement of the electrodes with respect to their original position, changes in the diameter of the electrodes, and asymmetry of the supply potentials. Decomposition of the rod set field on multipole
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Further exploration of the collision-induced dissociation of select beta blockers: Acebutolol, atenolol, bisoprolol, carteolol, and labetalol J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-21 Matthew J. Carlo, Amanda L. Patrick
Beta blockers are a class of drugs commonly used to treat heart-related diseases; they are also regulated under the World Anti-Doping Agency. Tandem mass spectrometry is often used in the pharmaceutical industry, clinical analysis laboratory, and antidoping laboratory for detection and characterization of drugs and their metabolites. A deeper chemical understanding of dissociation pathways may eventually
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Fast saliva analysis by GC–MS with Cold EI and Open Probe Fast GC–MS with Cold EI for the detection of cannabis usage J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-11 Oneg Elkabets, Benny Neumark, Aviv Amirav
Saliva is a body fluid that is much easier to collect and analyze than blood. Thus, saliva analysis for the detection of delta 9-tetrahydrocannabinol (delta 9-THC) can serve as a tool for law enforcement agents to detect cannabis consumption by drivers. Fast saliva analysis for the presence of delta 9-THC and/or cannabidiol (CBD) is described with both gas chromatography–mass spectrometry (GC–MS) with
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Ionization behaviors of nitrotoluenes and dinitrotoluenes by reactions with acetone-related reactant ion J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-11 He-Ryun Choi, Sung-Seen Choi
Dinitrotoluenes (DNTs) and nitrotoluenes (NTs) are found in the environment as metabolites of trinitrotoluene (TNT). When acetone is used as the solvent/eluent in atmospheric pressure chemical ionization-mass spectrometry (APCI-MS), the reactant ion is [2Acetone + O2]•− for the negative ion mode. The reactant ion reacts with an analyte to produce M•− and/or [M – H]− under atmospheric pressure. In this
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Simple and rapid quantification of ribociclib in rat plasma by protein precipitation and LC-MS/MS: An application to pharmacokinetics of ribociclib nanoparticles in rats J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-11 Osama Y. Alshogran, Ramadan Al-Shdefat, Mohammad Hailat
Ribociclib is a cyclin-dependent kinase (CDK4/6) inhibitor and is a standard of care for treating metastatic breast cancer. The drug has moderate oral bioavailability and exhibits permeability-controlled absorption. Novel formulations to enhance ribociclib pharmacokinetics are being developed and tested in rats. This requires developing analytical assays for quantifying ribociclib monitoring in rat
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Rapid classification and identification of chemical constituents in Leonurus japonicus Houtt based on UPLC-Q-Orbitrap-MS combined with data post-processing techniques J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-09 Yajie Dou, Lexin Shu, Xuchen Jia, Yaqi Yao, Siyue Chen, Yanyan Xu, Yubo Li
Leonurus japonicus Houtt (LJH) is a bulk medicinal material commonly used in clinical practice, but its complex constituents have not been completely understood, posing challenges to pharmacology, pharmacokinetic research, and scientific and rational drug use. As a result, it is critical to develop an efficient and accurate method for classifying and identifying the chemical composition of LJH. In
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Correction to “Exploration of chiral drugs as references for chiral discrimination of valsartan and voriconazole by tandem mass spectrometry” J. Mass Spectrom. (IF 2.3) Pub Date : 2023-11-09
Xue Yang, Wei Li, Jie Liu, Lan He, Yang Liu, Caiyu Zhang, J Mass Spectrom. 2023; 58: 1–17; doi:10.1002/jms.4968 The Correspondence was incorrect. Xue Yang is not a correspondence author. The correspondence should have read: “Caiyu Zhang, National Institutes for Food and Drug Control, Beijing, 102629, China. Email: zhangcy@nifdc.org.cn.” We apologize for this error.
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Rapid analysis of amphetamine-type substances using Agilent's QuickProbe gas chromatograph/mass spectrometer technology J. Mass Spectrom. (IF 2.3) Pub Date : 2023-10-30 Chrissy Black, Matthew Russell, Erina Mayo, Craig Aitcheson
The Agilent QuickProbe gas chromatograph/mass spectrometer (QP-GCMS) is a rapid analytical instrument requiring minimal sample preparation. The instrument was considered for the screening of samples for potential implementation at New Zealand's border screening laboratory. One of the project's primary aims was to validate the method for the analysis of border seizures, including drug concealments,
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From electrospray ionization to cold-spray ionization: How to evaluate the cooling effect on the gaseous ions? J. Mass Spectrom. (IF 2.3) Pub Date : 2023-10-30 Emilie Bertrand, David Rondeau, Thomas Delhaye, Xavier Castel, Mohamed Himdi
Two methods of survival yields (SY) measurement treatment of thermometer ions whose fragmentation is activated by in-source collision induced dissociation have been investigated for evaluating the mean internal () and thermal () energies of gaseous ions produced by electrospray ionization and cold-spray ionization (CSI). One of the methods is based on the use of the internal energy distributions (P
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Interactions of CyMe4-BTBP ligand with lanthanides and actinides: Insights from ESI-MS and DFT calculations J. Mass Spectrom. (IF 2.3) Pub Date : 2023-10-30 Qi-Qi Zhang, Yang Liu, Shu-Ping Tan, Yan Chen, Jie Gao, Xin-Yue Liang, Wei-Qun Shi, Yong-Gang Zhao
Electrospray Ionization Mass Spectrometry (ESI-MS) technique and density functional theory (DFT) calculations were combined to study the formation of the complexes of lanthanides (Ln = La, Ce, Nd, Sm, Eu, Yb) and actinides (UO22+, Th4+) with CyMe4-BTBP (6,6′-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzo-[1,2,4-]triazin-3-yl)-[2,2′]bipyridine) to understand the mechanisms during the extraction process
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Mass spectrometry-based gas phase intramolecular benzyl migration in sparsentan, a novel endothelin and angiotensin II receptor antagonist J. Mass Spectrom. (IF 2.3) Pub Date : 2023-10-30 Sudam S. Mane, Manoj Ghaste, David V. Dearden
We report a collision-induced dissociation (CID) based gas phase rearrangement study using quadrupole time-of-flight mass spectrometry coupled with liquid chromatography on a novel endothelin and angiotensin II receptor antagonist, sparsentan. We performed tandem mass spectrometry to identify precursor and fragment ion relationships and assigned structures for major fragment ions. We propose a benzyl
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2023-10-17
No abstract is available for this article.
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Issue Information J. Mass Spectrom. (IF 2.3) Pub Date : 2023-09-18
No abstract is available for this article.
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Collision cross section measurement and prediction methods in omics J. Mass Spectrom. (IF 2.3) Pub Date : 2023-08-24 Kimberly Y. Kartowikromo, Orobola E. Olajide, Ahmed M. Hamid
Omics studies such as metabolomics, lipidomics, and proteomics have become important for understanding the mechanisms in living organisms. However, the compounds detected are structurally different and contain isomers, with each structure or isomer leading to a different result in terms of the role they play in the cell or tissue in the organism. Therefore, it is important to detect, characterize,
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Exploration of chiral drugs as references for chiral discrimination of valsartan and voriconazole by tandem mass spectrometry J. Mass Spectrom. (IF 2.3) Pub Date : 2023-08-23 Xue Yang, Wei Li, Jie Liu, Lan He, Yang Liu, Caiyu Zhang
The use of mass spectrometry for chiral recognition and quantification has attracted great interest owing to its speed, sensitivity, specificity, and tolerance. However, searching for chiral selectors in chiral analyses using mass spectrometry is still problematic. In this study, chiral drugs could be applied as references for the chiral recognition and enantiomeric quantification of valsartan and