☆ 4.6 Review

Advances in Ultra-High-Resolution Mass Spectrometry for Pharmaceutical Analysis

MOLECULES (2023)

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Article Chemistry, Analytical

Direct introduction MALDI FTICR MS based on dried droplet deposition applied to non-targeted metabolomics on Pisum Sativum root exudates

Valentina Calabrese et al.

Summary: In this study, the performance of direct introduction electrospray ionization (ESI) and matrix assisted laser desorption ionization (MALDI) coupled with Fourier-Transform ion cyclotron resonance mass spectrometry (FTICR MS) for analyzing root exudates (RE) was systematically evaluated. MALDI showed better salt tolerance and ionization efficiency at high salinity, making it suitable for analyzing metabolites in complex matrices. The study also demonstrated the complementarity of the two ionization sources and the advantage of MALDI in detecting metabolites suffering from matrix effects in ESI mode.

TALANTA (2023)

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Review Pharmacology & Pharmacy

Extractive electrospray ionization mass spectrometry for analytical evaluation and synthetic preparation of pharmaceutical chemicals

Manman Qin et al.

Summary: Extraction electrospray ionization mass spectrometry (EESI-MS) enables effective ionization of trace molecules in complex samples without sample pretreatment, providing high sensitivity, selectivity, and response speed. It also allows for advanced functionalization of high-energy molecular species. This article systematically reviews the effects of operating conditions on the analytical performance of EESI-MS for various pharmaceutical compounds and introduces its potential application in molecular functionalization for drug discovery.

FRONTIERS IN PHARMACOLOGY (2023)

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Review Spectroscopy

Fourier-transform ion cyclotron resonance mass spectrometry for characterizing proteoforms

Trisha Tucholski et al.

Summary: In this article, the application of Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) in the study of proteoforms is reviewed. The unique features of FT-ICR MS in measuring proteoform mass with ultrahigh resolution and accuracy, obtaining comprehensive proteoform sequence coverage, and identifying modifications are highlighted. The importance of quantifying and characterizing proteoforms in biological systems such as the heart and skeletal muscle is emphasized, along with the use of FT-ICR MS in monoclonal antibody and proteomics studies. It is predicted that FT-ICR MS will continue to advance the study of complex proteoforms and play a key role in clinical diagnostics.

MASS SPECTROMETRY REVIEWS (2022)

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Article Medical Laboratory Technology

Standardized Workflow for Precise Mid- and High-Throughput Proteomics of Blood Biofluids

Angela Mc Ardle et al.

Summary: This study developed standardized workflows for detecting circulating protein biomarkers in different blood matrices, achieving reproducible and quantifiable analysis by optimizing sample preparation and mass spectrometry. The workflows allowed for sensitive high-throughput or deeper profiling analysis, with reliable results across different biofluids. By describing the observable, reliable, reproducible, and quantifiable proteomes for each biofluid and workflow, the researchers aim to simplify discovery approaches and facilitate the translation of candidate markers into clinical use.

CLINICAL CHEMISTRY (2022)

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Article Pharmacology & Pharmacy

BTK-inhibitor drug covalent binding to lysine in human serum albumin using LC-MS/MS

Cathy Muste et al.

Summary: In this study, the covalent binding of BTK inhibitor drugs to human serum albumin (HSA) was investigated. The results showed that some drugs bound to lysine residues of HSA, which could potentially impact drug clearance and bioavailability.

DRUG METABOLISM AND PHARMACOKINETICS (2022)

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Review Spectroscopy

FT-MS in the de novo top-down sequencing of natural nontryptic peptides

Albert T. Lebedev et al.

Summary: The present review discusses the application of FT-MS for de novo sequencing of natural peptides from various animals. These peptides are bioactive and are used by animals as a weapon against microorganisms and predators. They have potential as drugs of the future generation, as their mechanism of action is different from modern antibiotics. De novo sequencing becomes challenging when the species genome is unavailable and little is known about the peptides. The benefits of FT-MS for top-down peptide sequencing and the difficulties encountered in sequence elucidation are discussed.

MASS SPECTROMETRY REVIEWS (2022)

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Review Spectroscopy

Evaluation of major historical ICR cell designs using electric field simulations

Evgeny Nikolaev et al.

Summary: In Fourier-transform ion cyclotron resonance mass spectrometry, ions are detected by measuring the image current induced in the detecting electrodes by trapped ions rotating in a magnetic field. The evolution of this technique is driven by advancements in superconducting magnet technology and design improvements in the ion cyclotron resonance measuring cell. The main goals of this evolution are to increase resolution, mass accuracy, and dynamic range, as well as adapt to new methods for creating and trapping ions.

MASS SPECTROMETRY REVIEWS (2022)

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Article Endocrinology & Metabolism

Integrating in vitro metabolomics with a 96-well high-throughput screening platform

Julia M. Malinowska et al.

Summary: This study established and evaluated a high-throughput metabolomics workflow compatible with a 96-well HTS platform using 50,000 HepaRG hepatocytes per well. The method showed sufficient sensitivity and repeatability, making it suitable for metabolomics-driven toxicity testing to complement HTS assays.

METABOLOMICS (2022)

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Article Chemistry, Analytical

Imaging Matrix-Assisted Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry of oxaliplatin derivatives in human tissue sections

Justine Ferey et al.

Summary: Mass Spectrometry Imaging is a powerful tool for visualizing the distribution of molecules within tissues, and the use of FTICR can provide ultra-high resolving power and mass accuracy to overcome the limitations of other techniques like MALDI MSI.

TALANTA (2022)

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Article Pharmacology & Pharmacy

Rapid and sensitive analysis of trace fi-blockers by magnetic solid-phase extraction coupled with Fourier transform ion cyclotron resonance mass spectrometry

Xue Xiao et al.

Summary: A rapid and sensitive method using magnetic solid-phase extraction (MSPE) coupled with Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) was developed for analyzing trace β-blockers in complex biological samples. The method employed novel nanosilver-functionalized magnetic nanoparticles as adsorbents for extraction and desorption of analytes, which were then analyzed by FTICR-MS. The method demonstrated rapidity, sensitivity, and accuracy in detecting β-blockers in complex biological samples.

JOURNAL OF PHARMACEUTICAL ANALYSIS (2022)

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Review Biochemistry & Molecular Biology

The Potential of Metabolomics in Biomedical Applications

Vanessa Gonzalez-Covarrubias et al.

Summary: Metabolomics provides a comprehensive and precise picture of human phenotypes, allowing for the discovery of biomarkers and the understanding of molecular mechanisms. Its application in precision medicine has shown great potential in improving human health. This review highlights the trends and impacts of metabolomics in various diseases, longevity, and drug development. It emphasizes the importance of identifying distinct metabolomic profiles for the discovery and improvement of clinical strategies. In the future, metabolomics will become a routine tool for diagnosing and monitoring health and disease, aging, and drug development.

METABOLITES (2022)

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Article Chemistry, Analytical

FT-ICR Mass Spectrometry Imaging at Extreme Mass Resolving Power Using a Dynamically Harmonized ICR Cell with 1ω or 2ω Detection

Mathieu Tiquet et al.

Summary: This article introduces an analytical workflow based on MALDI mass spectrometry imaging, which restrains the pixel-to-pixel m/z shift by monitoring the total ion current and adjusting the laser parameters to maintain high spectral resolution and mass accuracy measurement. The optimized method has successfully performed high-quality MALDI MS imaging on instruments equipped with 7T and 9.4T superconducting magnets, and the results are compared favorably with experiments conducted on higher-magnetic-field superconducting magnets.

ANALYTICAL CHEMISTRY (2022)

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Article Biochemical Research Methods

Characterization of the Time-Domain Isotopic Beat Patterns of Monoclonal Antibodies in Fourier Transform Mass Spectrometry

Konstantin O. Nagornov et al.

Summary: This paper highlights the importance of isotopic beat patterns in the accurate interpretation of FTMS data, introduces a new FTMS data simulation tool for mAbs analysis, and evaluates the isotopic beat characteristics in typical instruments for mAbs analysis. The results demonstrate a significant impact of isotopic beat patterns on the analytical characteristics of mass spectra.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2022)

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Review Biochemistry & Molecular Biology

Applications of Tandem Mass Spectrometry (MS/MS) in Protein Analysis for Biomedical Research

Anca-Narcisa Neagu et al.

Summary: Mass spectrometry enables the analysis of proteins and peptides, including identification of mass, amino acid sequence, and post-translational modifications. In biomedical research, mass spectrometry can be used to identify relevant biomarkers for diagnostic and therapeutic purposes.

MOLECULES (2022)

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Article Engineering, Environmental

High concentrations of dissolved organic nitrogen and N-nitrosodimethylamine precursors in effluent from biological nutrient removal process with low dissolved oxygen conditions

Kewei Liao et al.

Summary: This study investigated the effects of low dissolved oxygen (DO) levels on dissolved organic nitrogen (DON) and N-nitrosodimethylamine (NDMA) precursor concentrations in biological nutrient removal (BNR) effluents. Surprisingly, lower DO levels were found to result in significantly higher levels of effluent DON and NDMA precursors. Ultrahigh-resolution mass spectrometry analysis revealed that molecules produced by microbes at low-DO levels may play critical roles in NDMA formation. Path analysis suggested that NDMA formation potential had strong associations with microbe-DON network stability.

WATER RESEARCH (2022)

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Review Microbiology

Pharmaceutical Pollution in Aquatic Environments: A Concise Review of Environmental Impacts and Bioremediation Systems

Maite Ortuzar et al.

Summary: The presence of pharmaceutical contaminants in the environment is a growing concern worldwide. This review discusses the current status and impact of pharmaceutical compounds as emerging contaminants, with a focus on their presence in water bodies. The development of bioremediation systems, particularly fungal technologies, for the removal of these contaminants is also analyzed.

FRONTIERS IN MICROBIOLOGY (2022)

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Article Biochemical Research Methods

Serum proteomics unveil characteristic protein diagnostic biomarkers and signaling pathways in patients with esophageal squamous cell carcinoma

Wenhu Liu et al.

Summary: This study identified potential serum biomarkers for ESCC and revealed abnormal signaling pathways associated with ESCC.

CLINICAL PROTEOMICS (2022)

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Review Biochemistry & Molecular Biology

High-Throughput Native Mass Spectrometry Screening in Drug Discovery

Agni F. M. Gavriilidou et al.

Summary: Studying protein-ligand interactions can greatly assist in the design of new therapeutic molecules. Various techniques used in drug discovery, such as isothermal titration calorimetry and nuclear magnetic resonance spectroscopy, rely on protein crystallography and cryo-electron microscopy. Native mass spectrometry is a versatile method for studying proteins and their interactions, providing valuable insights into protein structure and thermodynamics.

FRONTIERS IN MOLECULAR BIOSCIENCES (2022)

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Article Chemistry, Analytical

Integrated Top-Down and Bottom-Up Mass Spectrometry for Characterization of Diselenide Bridging Patterns of Synthetic Selenoproteins

Eleanor Watts et al.

Summary: With the rapid development of new biotherapeutics, it is crucial to ensure consistent quality and understand degradation pathways. This study presents a comprehensive mass spectrometry approach to analyze the sequences and structures of selenoproteins, as well as discover unknown by-products.

ANALYTICAL CHEMISTRY (2022)

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Article Biochemistry & Molecular Biology

Structural mass spectrometry of membrane proteins

Angelique Sanchez Dafun et al.

Summary: The development of mass spectrometry (MS) in analyzing proteins and protein complexes has greatly advanced since the invention of electrospray ionization (ESI) in the mid 80s. It has evolved to analyze increasingly heterogeneous and complex samples, with recent applications focusing on membrane proteins. These MS-based methods provide a wealth of information on membrane protein structure, covering sequencing, stoichiometry, ligand binding, conformations, dynamics and distance restraints for modeling.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2022)

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Review Spectroscopy

Native top-down mass spectrometry for higher-order structural characterization of proteins and complexes

Ruijie Liu et al.

Summary: Progress in structural biology research has created a higher demand for powerful tools to characterize proteins and protein complexes. Native mass spectrometry (nMS), particularly native top-down mass spectrometry (nTDMS), has gained significant interest in the past decade. This review highlights recent advances in nTDMS for structural research of biological assemblies, focusing on the additional layers of information enabled by TDMS. It also discusses the challenges, potential, and perspectives of nTDMS methods for protein and protein assembly analysis.

MASS SPECTROMETRY REVIEWS (2022)

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Article Biochemical Research Methods

Optimized data-independent acquisition approach for proteomic analysis at single-cell level

Yuefan Wang et al.

Summary: This study optimized a DIA workflow using the Orbitrap Lumos Tribrid instrument for single-cell proteomic analysis. The workflow successfully identified peptides extracted from single cells and enabled quantitative analysis of the proteome. This method can serve as a reliable tool for single-cell and sub-nano-gram proteomic analysis.

CLINICAL PROTEOMICS (2022)

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Article Engineering, Environmental

Non-targeted characterization of dissolved organic matter from a wastewater treatment plant by FT-ICR-MS: A case study of hospital sewage

Shuchai Gan et al.

Summary: This study characterizes the composition of dissolved organic matter (DOM) in medical wastewater and investigates its removal using different treatment processes. The results show that DOM in medical wastewater is mainly composed of aliphatic and highly unsaturated compounds. The study also demonstrates the effectiveness of membrane bioreactor, disinfection, and reverse osmosis in removing DOM.

JOURNAL OF WATER PROCESS ENGINEERING (2022)

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Article Chemistry, Analytical

Direct visualization of the drug release process of non-conductive polymeric implants via molecular imaging

Zhidan Liang et al.

Summary: This study presents a novel application of matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) for visualizing the drug release process from non-conductive polymeric LAP implants. The researchers developed a new sample surface treatment procedure to obtain homogeneous imaging of non-conductive sample surfaces. This work is the first comprehensive report of a sample preparation methodology tailored for imaging LAP at the molecular level.

ANALYTICA CHIMICA ACTA (2022)

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Article Chemistry, Analytical

Enhancing Biomolecule Analysis and 2DMS Experiments by Implementation of (Activated Ion) 193 nm UVPD on a FT-ICR Mass Spectrometer

Alina Theisen et al.

Summary: In this study, 193 nm ultraviolet photodissociation (UVPD) was combined with 10.6 μm infrared multi-photon dissociation (IRMPD) to provide gentle slow-heating of UV-irradiated ions. The results showed that this method yielded high sequence coverage and increased fragmentation yield. Additionally, IR activation post UVPD further boosted the overall fragmentation yield and the intensity of specific fragments. UVPD was also implemented as a fragmentation method for 2DMS, demonstrating its viability.

ANALYTICAL CHEMISTRY (2022)

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Article Chemistry, Analytical

Metabolic-Dysregulation-Based iEESI-MS Reveals Potential Biomarkers Associated with Early-Stage and Progressive Colorectal Cancer

Ran Zheng et al.

Summary: The application of rapid and accurate diagnostic methods can significantly improve the survival rates of colorectal cancer. In this study, a non-targeted metabolomic approach based on iEESI-MS was used to identify metabolite ions associated with the progression of colorectal cancer. A support vector machine model was built using 10 differential metabolite ions to distinguish early-stage colorectal cancer from normal tissues, with a high prediction accuracy of 92.6%. The biomarker panel, specifically lysophosphatidylcholine (LPC) (18:0), showed good diagnostic potential in differentiating early-stage colorectal cancer from advanced-stage colorectal cancer.

ANALYTICAL CHEMISTRY (2022)

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Article Medical Laboratory Technology

Small molecules as potential biomarkers of early gastric cancer: A mass spectrometry imaging approach

Long Zou et al.

Summary: This study found that regions associated with early gastric cancer have different lipid distributions and enzyme expressions compared to paracancerous regions. Phosphatidylcholine (32:0) and phosphatidylcholine (34:3) in serum are potential biomarkers for discriminating between early gastric cancer patients and healthy controls.

CLINICA CHIMICA ACTA (2022)

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Article Chemistry, Analytical

Matrix-assisted laser desorption/ionization mass spectrometric imaging the spatial distribution of biodegradable vascular stents using a self-made semi-quantitative target plate

Houwei Lin et al.

Summary: In this study, matrix-assisted laser desorption/ionization (MALDI) Fourier transform ion cyclotron resonance (FT ICR) and time-of-flight (TOF) mass spectrometric imaging (MSI) were used to analyze the distribution of a biodegradable vascular scaffold in blood vessels. The methods for analyzing the distribution were established by optimizing the conditions of sample pretreatment and mass spectrometry (MS). The study provided a powerful tool for evaluating the distributions and degradation process of the biological stent materials.

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2022)

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Article Chemistry, Analytical

Differentiation and verification of monoclonal antibody therapeutics by integrating accurate mass analyses at intact, subunit and subdomain levels for forensic investigation

Lianji Jin

Summary: The monoclonal antibody therapeutics market is growing rapidly, and it is important to regulate and intercept breaches in the legitimate medical supply chain to ensure the quality and safety of approved products reaching consumers. Comprehensive analysis and characterization of monoclonal antibody therapeutics molecules are resource-intensive and essential for regulatory purposes. An integrated HRAM method is demonstrated to differentiate and verify different monoclonal antibody therapeutics, providing valuable information about their sequences and post-translational modifications.

FORENSIC CHEMISTRY (2022)

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Article Engineering, Environmental

From monitoring to treatment, how to improve water quality: The pharmaceuticals case

Dimitra Papagiannaki et al.

Summary: Water pollution is a serious global issue, with Contaminants of Emerging Concern (CECs) being a major concern. Recent advancements in analytical methods have allowed the detection of various pollutants, including Pharmaceutically Active Compounds (PhACs) that pose threats to human health and ecosystems. Understanding the occurrence, risks, and degradation of PhACs in the environment is crucial for regulating pharmaceutical exposure. This review provides a comprehensive summary of the trends and challenges in PhACs detection, as well as solutions and best methods for their removal.

CHEMICAL ENGINEERING JOURNAL ADVANCES (2022)

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Article Medical Laboratory Technology

Development of novel methods for non-canonical myeloma protein analysis with an innovative adaptation of immunofixation electrophoresis, native top-down mass spectrometry, and middle-down de novo sequencing

W. Ian Deighan et al.

Summary: The study utilized next generation mass spectrometry techniques and an improved immunofixation method to investigate non-canonical monoclonal immunoproteins. The results demonstrate that these methods can provide in-depth characterization of M-protein structures and reveal previously unknown immunoglobulin configurations.

CLINICAL CHEMISTRY AND LABORATORY MEDICINE (2021)

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Article Biochemical Research Methods

Ultrahigh-Resolution Mass Spectrometry-Based Platform for Plasma Metabolomics Applied to Type 2 Diabetes Research

Yanlong Zhu et al.

Summary: Metabolomics is increasingly recognized as a preferred method for understanding biological systems' responses to stress, and utilizing FIE-FTICR MS technology allows for efficient analysis of different metabolite features in plasma samples with high reproducibility.

JOURNAL OF PROTEOME RESEARCH (2021)

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Article Optics

Preferred protonation site of a series of sulfa drugs in the gas phase revealed by IR spectroscopy

Thomas Uhlemann et al.

Summary: IR action spectroscopy was used to study the protonation preferences of sulfa drugs during electrospray ionization. For sulfanilamide (SA), the protonation site was identified as the sulfonamide NH2 group, while for derivative sulfa drugs, protonation favored the nitrogen atom in the heterocycle except for SG, where protonation occurred at the sulfonamide nitrogen atom.

EUROPEAN PHYSICAL JOURNAL D (2021)

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Article Environmental Sciences

Groundwater antibiotic pollution and its relationship with dissolved organic matter: Identification and environmental implications

Meritxell Gros et al.

Summary: The study found that tetracycline and sulfonamide antibiotics were present in natural springs in a livestock production area, with DOM analysis revealing the presence of CHO, nitrogen, and sulfur compounds. The organic matter in springs may be affected by anthropogenic contamination sources, and the fate of different antibiotics is controlled by the type of DOM present in groundwater.

ENVIRONMENTAL POLLUTION (2021)

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Review Engineering, Environmental

A review of the biotransformations of priority pharmaceuticals in biological wastewater treatment processes

P. Y. Nguyen et al.

Summary: This review focuses on the biotransformations of key pharmaceutical compounds (PhACs) in biological wastewater treatment plant (WWTP) processes, highlighting their importance in removing PhACs from WWTP effluents. Critically assessing the biodegradation of 7 relevant PhACs on the EU Watch list, the review also discusses the impact of relevant factors on biological WWTP processes. Promising technologies and operational strategies for controlling PhAC releases are emphasized, along with suggestions for future research needs.

WATER RESEARCH (2021)

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Article Physics, Atomic, Molecular & Chemical

Towards increasing the performance of FTICR-MS with signal detection at frequency multiples: Signal theory and numerical study

Qinghao Wu et al.

Summary: This study establishes the relationships between cell parameters, ion trajectory, and signal parameters in nX-ICR cells, revealing key factors affecting sensitivity and intensities of undesirable peaks in mass spectra.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2021)

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Article Multidisciplinary Sciences

Muscle metabolic remodelling patterns in Duchenne muscular dystrophy revealed by ultra-high-resolution mass spectrometry imaging

Ivana Dabaj et al.

Summary: This study investigated the metabolic changes in Duchenne muscular dystrophy (DMD) using mass spectrometry-based imaging, revealing significant alterations in key metabolites related to energy and phospholipid metabolism. The findings indicate a deep metabolic remodeling in phospholipids and energy metabolism in DMD. The systems-based approach allowed for exploring the metabolism in DMD in a comprehensive and unbiased manner.

SCIENTIFIC REPORTS (2021)

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Article Biochemistry & Molecular Biology

Longitudinal Bottom-Up Proteomics of Serum, Serum Extracellular Vesicles, and Cerebrospinal Fluid Reveals Candidate Biomarkers for Early Detection of Glioblastoma in a Murine Model

Francesco Greco et al.

Summary: GBM is a brain tumor with poor prognosis and survival rates, diagnosed at advanced stages. This study used murine models to investigate longitudinal changes in protein profiles in serum, sEVs, and CSF, identifying dysregulated proteins involved in cell motility, growth, and angiogenesis. Early effects of GBM may be detectable before symptom onset.

MOLECULES (2021)

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Article Biochemical Research Methods

An optimized method for the detection and spatial distribution of aminoglycoside and vancomycin antibiotics in tissue sections by mass spectrometry imaging

Ning Wang et al.

Summary: Suboptimal antibiotic dosing can lead to the development of multidrug-resistant bacteria, and mass spectrometry imaging is a key tool for maximizing efficacy and minimizing resistance development. An optimized washing method significantly increased the detection sensitivity of aminoglycosides and vancomycin, enabling drug distribution investigations and paving the way for site-of-disease antibiotic penetration studies.

JOURNAL OF MASS SPECTROMETRY (2021)

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Article Environmental Sciences

Rapid determination of pharmaceuticals inwastewater by direct infusion HRMS using target and suspect screening analysis

Ingus Perkons et al.

Summary: The study successfully detected APIs and their transformation products in wastewater using high-resolution mass spectrometry, with the most frequently detected compounds being anti-inflammatory drugs, beta-blockers, and antihypertensive drugs, as well as their metabolites. The results of the study were consistent with national consumption statistics and the origins of wastewater samples.

SCIENCE OF THE TOTAL ENVIRONMENT (2021)

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Article Chemistry, Physical

Comparison of Advanced Oxidation Processes for the Degradation of Maprotiline in Water-Kinetics, Degradation Products and Potential Ecotoxicity

Nuno P. F. Goncalves et al.

Summary: The impact of different oxidation processes on maprotiline degradation pathways was investigated by LC/HRMS experiments. Semiconductor photocatalysts proved to be more efficient, while the SO4- mediated process promoted the formation of different transformation products.

CATALYSTS (2021)

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Review Chemistry, Analytical

Overview of Sample Preparation and Chromatographic Methods to Analysis Pharmaceutical Active Compounds in Waters Matrices

Cristina M. M. Almeida

Summary: Pharmaceutical residues pose a significant concern in the environment, requiring immediate action in various areas such as occurrence studies, impact analysis, removal/degradation, and development of sensitive analytical methods. This review focuses on sample preparation methods and chromatographic analysis applicable to water matrices, particularly on works published in the last decade.

SEPARATIONS (2021)

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Review Chemistry, Analytical

Current trends and advances in analytical techniques for the characterization and quantification of biologically recalcitrant organic species in sludge and wastewater: A review

Sylvain Faixo et al.

Summary: The study of refractory organic compounds in wastewater is crucial for environmental and regulatory purposes, and new developments in analytical techniques are needed to quantify and characterize these complex compounds. Recent advances have linked physicochemical properties to spectroscopic analyses, revealing that refractory properties in wastewater are influenced by various parameters such as weight, hydrophobicity, aromaticity, and chemical functionalities. Advanced hyphenated techniques, such as SEC/PDA/Fluorescence systems and HRMS/NMR, have been developed to analyze macromolecules in wastewater with minimal sample preparation, providing valuable insights into the complex nature of refractory compounds. The study also highlights the importance of chemometric approaches in understanding the properties of refractory organic matter and the need for specific techniques and data processing due to the lack of available standards in this field.

ANALYTICA CHIMICA ACTA (2021)

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Article Oncology

Lipidomic Profiles of Plasma Exosomes Identify Candidate Biomarkers for Early Detection of Hepatocellular Carcinoma in Patients with Cirrhosis

Jessica Sanchez et al.

Summary: This study identified candidate biomarkers for early detection of HCC as well as altered pathways in exosomes that may contribute to tumor development and progression.

CANCER PREVENTION RESEARCH (2021)

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Article Environmental Sciences

First screening of biocides, persistent organic pollutants, pharmaceutical and personal care products in Antarctic phytoplankton from Deception Island by FT-ICR-MS

Bernardo Duarte et al.

Summary: In recent years, the Antarctic territory has experienced an increase in tourists and scientists, leading to a rise in anthropogenic footprint and emerging contaminants in Antarctic ecosystems. Through high-resolution mass spectrometry, 70 different contaminant compounds were found in phytoplankton, highlighting the presence of various toxic compounds. The detection of potential harmful substances at the base of the marine food web can have severe impacts on the ecosystem's trophic structure, indicating a need to revisit environmental protection guidelines.

CHEMOSPHERE (2021)

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Article Nanoscience & Nanotechnology

Nanoparticles of a New Small-Molecule P-Selectin Inhibitor Attenuate Thrombosis, Inflammation, and Tumor Growth in Two Animal Models

Qiqi Feng et al.

Summary: THCMA, a newly designed small-molecule P-selectin inhibitor, demonstrated significantly enhanced oral efficacy compared to PSI-697, showing potent inhibitory effects on arterial and venous thrombosis, inflammation, and tumor growth.

INTERNATIONAL JOURNAL OF NANOMEDICINE (2021)

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Article Biochemical Research Methods

Multiomics Method Enabled by Sequential Metabolomics and Proteomics for Human Pluripotent Stem-Cell-Derived Cardiomyocytes

Elizabeth F. Bayne et al.

Summary: By utilizing a multiomics method, we comprehensively analyzed the metabolome and proteome of human pluripotent stem-cell-derived cardiomyocytes, providing a multidimensional view of hPSC-CM biology and gaining insight into the molecular phenotypes network associated with them.

JOURNAL OF PROTEOME RESEARCH (2021)

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Article Biochemical Research Methods

Two-Dimensional Mass Spectrometry Analysis of IgG1 Antibodies

Johanna Paris et al.

Summary: Two-dimensional mass spectrometry (2DMS) is a new and theoretically ideal tool for data-independent analysis, allowing for the characterization of complex mixtures and identification of post-translational modifications in proteins. The processing of 2DMS data can accurately correlate fragments to their corresponding precursors, enabling the resolution of fragments at m/z 840<0.1 m/z without the need for quadrupole or chromatographic separation.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2021)

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Review Spectroscopy

FT-ICR-MS-based metabolomics: A deep dive into plant metabolism

Marisa Maia et al.

Summary: Metabolomics is a method that involves the identification and quantification of metabolites to understand cellular regulatory processes, with the application of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) being widely used in plant studies. FT-ICR-MS is powerful in analyzing complex mixtures like plant extracts and discovering new metabolites.

MASS SPECTROMETRY REVIEWS (2021)

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Article Medicine, Research & Experimental

Characterizing Cutaneous Drug Delivery Using Open-Flow Microperfusion and Mass Spectrometry Imaging

Anne Mette Handler et al.

Summary: The study used dermal open-flow microperfusion and matrix-assisted laser desorption ionization mass spectrometry imaging to analyze the cutaneous drug delivery of two JAK inhibitors, revealing distinct skin distributions that were correlated with the drugs' pharmacological properties.

MOLECULAR PHARMACEUTICS (2021)

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Article Biochemistry & Molecular Biology

MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights

Zhiqiang Pang et al.

Summary: MetaboAnalyst version 5.0 has been introduced to facilitate comprehensive metabolomics data analysis and interpretation, with the aim of narrowing the gap from raw data to functional insights. Three new modules have been developed to assist in this goal, along with various other new functions and improvements in interface, graphics, and codebase. Users can now easily switch between compatible modules for a streamlined data analysis experience.

NUCLEIC ACIDS RESEARCH (2021)

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Article Environmental Sciences

Compositional characteristics of dissolved organic matter in pharmaceutical wastewater effluent during ozonation

Yufei Shi et al.

Summary: The study found that ozone treatment in pharmaceutical wastewater is effective in attacking high molecular weight DOM, improving biodegradability. Hydrophobic acids contain the most aromatic and unsaturated bonded organic matter and are more easily oxidized under ozone treatment.

SCIENCE OF THE TOTAL ENVIRONMENT (2021)

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Article Multidisciplinary Sciences

A natural riboswitch scaffold with self-methylation activity

Laurin Flemmich et al.

Summary: Methylation is a common post-transcriptional modification in RNA, where methyltransferases and small organic substances are used as methyl-group donors. A direct link between a riboswitch and site-specific methylation has been uncovered, suggesting that nucleic acid-mediated methylation is an ancient mechanism.

NATURE COMMUNICATIONS (2021)

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Article Multidisciplinary Sciences

Large scale enzyme based xenobiotic identification for exposomics

Ken H. Liu et al.

Summary: The study introduces a novel method in which xenobiotic metabolites are enzymatically generated and identified using high-resolution mass spectrometry, offering a new approach for exposomics research.

NATURE COMMUNICATIONS (2021)

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Article Multidisciplinary Sciences

Peak learning of mass spectrometry imaging data using artificial neural networks

Walid M. Abdelmoula et al.

Summary: This study demonstrates the application of artificial intelligence in mining Mass Spectrometry Imaging (MSI) data to reveal biologically relevant metabolomic and proteomic information acquired from different mass spectrometry platforms. By utilizing a fully connected variational autoencoder, the researchers developed the msiPL method to learn and visualize the underlying non-linear spectral manifold in MSI data, uncovering biologically relevant clusters of tissue anatomy and tumor heterogeneity in various tissue types.

NATURE COMMUNICATIONS (2021)

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Article Chemistry, Analytical

Quadrupole detection FT-ICR mass spectrometry offers deep profiling of residue oil: A systematic comparison of 2ω 7 Tesla versus 15 Tesla instruments

Jinfeng Ge et al.

Summary: This study compared the performance of 2 omega detection on a low magnetic field instrument with that of a high magnetic field FT-ICR-MS by characterizing a residue oil sample using both instruments. The results showed that the 2 omega 7T FT-ICR MS provided comparable performance in deep profiling of the complex oil sample, while the 15T FT-ICR MS gave more precise measurements of the sample's elemental compositions.

ANALYTICAL SCIENCE ADVANCES (2021)

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Review Chemistry, Analytical

Advances in high-resolution mass spectrometry applied to pharmaceuticals in 2020: A whole new age of information

Caroline Gehin et al.

Summary: HRMS plays a crucial role in pharmaceutical development, offering capabilities for sample characterization, screening, and quantification. Its applications span drug discovery, product characterization, metabolism studies, quality control, and pharmacovigilance in the pharmaceutical industry.

ANALYTICAL SCIENCE ADVANCES (2021)

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Article Biochemical Research Methods

Characterization of pharmaceutic structured triacylglycerols by high-performance liquid chromatography/tandem high-resolution mass spectrometry and its application to structured fat emulsion injection

Hao Zheng et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2020)

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Article Biochemical Research Methods

MSPolyCalc: A web-based App for polymer mass spectrometry data interpretation. The case study of a pharmaceutical excipient

Jessica S. Desport et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2020)

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Article Environmental Sciences

Integration of target analyses, non-target screening and effect-based monitoring to assess OMP related water quality changes in drinking water treatment

Andrea M. Brunner et al.

SCIENCE OF THE TOTAL ENVIRONMENT (2020)

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Review Chemistry, Multidisciplinary

Ultraviolet Photodissociation Mass Spectrometry for Analysis of Biological Molecules

Jennifer S. Brodbelt et al.

CHEMICAL REVIEWS (2020)

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Review Medicine, General & Internal

FDA Approval and Regulation of Pharmaceuticals, 1983-2018

Jonathan J. Darrow et al.

JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION (2020)

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Article Biochemical Research Methods

Mass spectrometry imaging of endogenous metabolites in response to doxorubicin in a novel 3D osteosarcoma cell culture model

Ieva Palubeckaite et al.

JOURNAL OF MASS SPECTROMETRY (2020)

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Review Biochemistry & Molecular Biology

Protein X-ray Crystallography and Drug Discovery

Laurent Maveyraud et al.

MOLECULES (2020)

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Article Biochemical Research Methods

Optimization of ion trajectories in a dynamically harmonized Fourier-transform ion cyclotron resonance cell using a design of experiments strategy

Julien Maillard et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2020)

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Article Chemistry, Analytical

Combining MALDI mass spectrometry imaging and droplet-base surface sampling analysis for tissue distribution, metabolite profiling, and relative quantification of cyclic peptide melanotan II

Bingming Chen et al.

ANALYTICA CHIMICA ACTA (2020)

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Article Biochemical Research Methods

Impurity identification and quantification for arginine vasopressin by liquid chromatography/high-resolution mass spectrometry

Peize Wu et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2020)

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Article Chemistry, Physical

TiO2 and Active Coated Glass Photodegradation of Ibuprofen

Samer Khalaf et al.

CATALYSTS (2020)

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Review Pharmacology & Pharmacy

Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling

Linlin Zhao et al.

DRUG DISCOVERY TODAY (2020)

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Article Environmental Sciences

Suspect and non-targeted screening of chemicals of emerging concern for human biomonitoring, environmental health studies and support to risk assessment: From promises to challenges and harmonisation issues

Mariane Pourchet et al.

ENVIRONMENT INTERNATIONAL (2020)

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Article Biochemical Research Methods

Exploring the chemical profile of designer drugs by ESI(+) and PSI(+) mass spectrometry-An approach on the fragmentation mechanisms and chemometric analysis

Nayara A. dos Santos et al.

JOURNAL OF MASS SPECTROMETRY (2020)

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Article Chemistry, Analytical

Cross-validated Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging Quantitation Protocol for a Pharmaceutical Drug and Its Drug-Target Effects in the Brain Using Time-of-Flight and Fourier Transform Ion Cyclotron Resonance Analyzers

Patrik Kallback et al.

ANALYTICAL CHEMISTRY (2020)

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Article Biochemical Research Methods

Transient-Mediated Simulations of FTMS Isotopic Distributions and Mass Spectra to Guide Experiment Design and Data Analysis

Konstantin O. Nagornov et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2020)

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Article Biochemical Research Methods

An Enhanced Isotopic Fine Structure Method for Exact Mass Analysis in Discovery Metabolomics: FIA-CASI-FTMS

Christopher J. Thompson et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2020)

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Article Chemistry, Analytical

Multi-class analysis of 46 antimicrobial drug residues in pond water using UHPLC-Orbitrap-HRMS and application to freshwater ponds in Flanders, Belgium

T. Goessens et al.

TALANTA (2020)

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Article Chemistry, Analytical

Rapid Analysis of Reduced Antibody Drug Conjugate by Online LC-MS/MS with Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Eli J. Larson et al.

ANALYTICAL CHEMISTRY (2020)

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Article Spectroscopy

Chiral differentiation of L- and D-penicillamine by β-cyclodextrin: Investigated by IRMPD spectroscopy and theoretical simulations

Lu Sun et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)

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Article Chemistry, Multidisciplinary

Mass spectrometry reveals the assembly pathway of encapsulated ferritins and highlights a dynamic ferroxidase interface

Jennifer Ross et al.

CHEMICAL COMMUNICATIONS (2020)

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Review Chemistry, Analytical

Current developments in LC-MS for pharmaceutical analysis

Marco Beccaria et al.

ANALYST (2020)

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Article Physics, Atomic, Molecular & Chemical

A quantitative map of glutathione in the aging human lens

Angus C. Grey et al.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2019)

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Article Endocrinology & Metabolism

Untargeted metabolomic analysis and pathway discovery in perinatal asphyxia and hypoxic-ischaemic encephalopathy

Niamh M. Denihan et al.

JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM (2019)

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Review Chemistry, Multidisciplinary

Pharmaceuticals of Emerging Concern in Aquatic Systems: Chemistry, Occurrence, Effects, and Removal Methods

Manvendra Patel et al.

CHEMICAL REVIEWS (2019)

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Article Biophysics

Two-dimensional mass spectrometry: new perspectives for tandem mass spectrometry

Maria A. van Agthoven et al.

EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2019)

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Review Biochemistry & Molecular Biology

Current Status and Future Prospects of Clinically Exploiting Cancer-specific Metabolism-Why Is Tumor Metabolism Not More Extensively Translated into Clinical Targets and Biomarkers?

Magesh Muthu et al.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2019)

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Article Plant Sciences

Analytical methods to access the chemical composition of an Euphorbia tirucalli anticancer latex from traditional Brazilian medicine

Larissa Silva de Souza et al.

JOURNAL OF ETHNOPHARMACOLOGY (2019)

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Article Multidisciplinary Sciences

MALDI imaging mass spectrometry revealed atropine distribution in the ocular tissues and its transit from anterior to posterior regions in the whole-eye of rabbit after topical administration

Naoto Mori et al.

PLOS ONE (2019)

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Article Chemistry, Analytical

Automatic 3D Nonlinear Registration of Mass Spectrometry Imaging and Magnetic Resonance Imaging Data

Walid M. Abdelmoula et al.

ANALYTICAL CHEMISTRY (2019)

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Article Chemistry, Physical

Gingerbread ingredient-derived carbons-assembled CNT foam for the efficient peroxymonosulfate-mediated degradation of emerging pharmaceutical contaminants

Tam Do Minh et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2019)

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Article Chemistry, Inorganic & Nuclear

Platinum(IV)-Ferrocene Conjugates and Their Cyclodextrin Host-Guest Complexes

Gregory Thiabaud et al.

INORGANIC CHEMISTRY (2019)

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Article Biochemistry & Molecular Biology

Discovery of Cisplatin Binding to Thymine and Cytosine on a Single-Stranded Oligodeoxynucleotide by High Resolution FT-ICR Mass Spectrometry

Wenjuan Zeng et al.

MOLECULES (2019)

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Article Food Science & Technology

Analysis of potential anti-aging beverage Pru, a traditional Cuban refreshment, by desorption electrospray ionization-mass spectrometry and FTICR tandem mass spectrometry

Md Al Mamun et al.

JOURNAL OF FOOD AND DRUG ANALYSIS (2019)

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Article Biochemical Research Methods

Metal Ion Binding to the Amyloid β Monomer Studied by Native Top-Down FTICR Mass Spectrometry

Frederik Lermyte et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2019)

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Article Medicine, Research & Experimental

Distribution of Small Molecular Weight Drugs into the Porcine Lens: Studies on Imaging Mass Spectrometry, Partition Coefficients, and Implications in Ocular Pharmacokinetics

Emma M. Heilkkinen et al.

MOLECULAR PHARMACEUTICS (2019)

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Article Multidisciplinary Sciences

Quantitative Mass Spectrometry Imaging Reveals Mutation Status-independent Lack of Imatinib in Liver Metastases of Gastrointestinal Stromal Tumors

Denis Abu Sammour et al.

SCIENTIFIC REPORTS (2019)

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Article Multidisciplinary Sciences

Examination of molecular space and feasible structures of bioactive components of humic substances by FTICR MS data mining in ChEMBL database

Alexey A. Orlov et al.

SCIENTIFIC REPORTS (2019)

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Article Biochemical Research Methods

DIABLO: an integrative approach for identifying key molecular drivers from multi-omics assays

Amrit Singh et al.

BIOINFORMATICS (2019)

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Article Toxicology

Comprehensive lipid profiling of bleomycin-induced lung injury

Kosuke Saito et al.

JOURNAL OF APPLIED TOXICOLOGY (2019)

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Article Geriatrics & Gerontology

Integrative Metabolomic and Metallomic Analysis in a Case-Control Cohort With Parkinson's Disease

Marianna Lucio et al.

FRONTIERS IN AGING NEUROSCIENCE (2019)

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Article Medicine, Research & Experimental

Quantitative MALDI Imaging of Spatial Distributions and Dynamic Changes of Tetrandrine in Multiple Organs of Rats

Weiwei Tang et al.

THERANOSTICS (2019)

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Article Materials Science, Biomaterials

POSS-based supramolecular amphiphilic zwitterionic complexes for drug delivery

Linfeng Fan et al.

BIOMATERIALS SCIENCE (2019)

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Article Chemistry, Analytical

Exosomal lipids for classifying early and late stage non-small cell lung cancer

Teresa W. M. Fan et al.

ANALYTICA CHIMICA ACTA (2018)

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Article Biochemical Research Methods

MALDI imaging facilitates new topical drug development process by determining quantitative skin distribution profiles

David Bonnel et al.

ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2018)

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Article Chemistry, Analytical

High Speed Intact Protein Characterization Using 4X Frequency Multiplication, Ion Trap Harmonization, and 21 Tesla FTICR-MS

Jared B. Shaw et al.

ANALYTICAL CHEMISTRY (2018)

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Article Chemistry, Analytical

Comprehensive Single-Shot Proteomics with FAIMS on a Hybrid Orbitrap Mass Spectrometer

Alexander S. Hebert et al.

ANALYTICAL CHEMISTRY (2018)

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Article Chemistry, Multidisciplinary

Polymeric micelles encapsulating pH-responsive doxorubicin prodrug and glutathione-activated zinc(II) phthalocyanine for combined chemotherapy and photodynamic therapy

Di Gao et al.

JOURNAL OF CONTROLLED RELEASE (2018)

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Article Pharmacology & Pharmacy

Biodistribution of polycyanoacrylate nanoparticles encapsulating doxorubicin by Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry Imaging (MSI)

Christelle Zandanel et al.

JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY (2018)

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Article Biochemical Research Methods

Surface Induced Dissociation Coupled with High Resolution Mass Spectrometry Unveils Heterogeneity of a 211 kDa Multicopper Oxidase Protein Complex

Mowei Zhou et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2018)

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Article Chemistry, Multidisciplinary

An integrated native mass spectrometry and top-down proteomics method that connects sequence to structure and function of macromolecular complexes

Huilin Li et al.

NATURE CHEMISTRY (2018)

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Article Neurosciences

A mass spectrometry imaging approach for investigating how drug-drug interactions influence drug blood-brain barrier permeability

Theodosia Vallianatou et al.

NEUROIMAGE (2018)

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Review Chemistry, Analytical

Reactive impurities in large and small USA molecule pharmaceutical excipients - A review

Kelly Zhang et al.

TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2018)

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Article Chemistry, Medicinal

Fragment-Based Screening of a Natural Product Library against 62 Potential Malaria Drug Targets Employing Native Mass Spectrometry

Hoan Vu et al.

ACS INFECTIOUS DISEASES (2018)

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Article Chemistry, Analytical

An available strategy for elemental composition determination of organic impurities in commercial preparations based on accurate mass and peak ratio of isotopic fine structures (IFSs) by dual mode combined-FT-ICR-MS and fraction collection technology

Xintong Li et al.

ANALYTICA CHIMICA ACTA (2018)

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Article Chemistry, Analytical

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

Ignacy Rzagalinski et al.

ANALYTICAL CHEMISTRY (2018)

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Article Engineering, Environmental

Microbiome-Triggered Transformations of Trace Organic Chemicals in the Presence of Effluent Organic Matter in Managed Aquifer Recharge (MAR) Systems

Karin Hellauer et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2018)

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Article Agriculture, Multidisciplinary

Identification and antimicrobial activity of most representative secondary metabolites from different plant species

F. Lelano et al.

CHEMICAL AND BIOLOGICAL TECHNOLOGIES IN AGRICULTURE (2018)

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Article Biochemical Research Methods

Molecular interaction study of flavonoids with human serum albumin using native mass spectrometry and molecular modeling

Bohong Wang et al.

ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2018)

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Article Chemistry, Physical

Chiral differentiation of d- and l-isoleucine using permethylated -cyclodextrin: infrared multiple photon dissociation spectroscopy, ion-mobility mass spectrometry, and DFT calculations

Sung-Sik Lee et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

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Review Spectroscopy

ELECTRON-BASED FRAGMENTATION METHODS IN MASS SPECTROMETRY: AN OVERVIEW

Yulin Qi et al.

MASS SPECTROMETRY REVIEWS (2017)

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Article Biochemical Research Methods

Enrichment of resolving power improves ion-peak quantification on a lipidomics platform

Kosuke Saito et al.

JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES (2017)

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Article Biochemical Research Methods

Feasibility Assessment of a MALDI FTICR Imaging Approach for the 3D Reconstruction of a Mouse Lung

E. Ellen Jones et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2017)

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Article Engineering, Environmental

Removal characteristics of DON in pharmaceutical wastewater and its influence on the N-nitrosodimethylamine formation potential and acute toxicity of DOM

Haidong Hu et al.

WATER RESEARCH (2017)

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Article Environmental Sciences

High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter

Daniel Petras et al.

FRONTIERS IN MARINE SCIENCE (2017)

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Review Chemistry, Analytical

Structural analysis of small to medium-sized molecules by mass spectrometry after electron-ion fragmentation (ExD) reactions

Yulin Qi et al.

ANALYST (2016)

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Article Chemistry, Analytical

Evaluation of the Orbitrap Mass Spectrometer for the Molecular Fingerprinting Analysis of Natural Dissolved Organic Matter

Jeffrey A. Hawkes et al.

ANALYTICAL CHEMISTRY (2016)

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Article Medicine, Legal

Chemical characterization of synthetic cannabinoids by electrospray ionization FT-ICR mass spectrometry

Jade B. Kill et al.

FORENSIC SCIENCE INTERNATIONAL (2016)

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Article Nutrition & Dietetics

Chemical Assignment of Structural Isomers of Sulfur-Containing Metabolites in Garlic by Liquid Chromatography Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Ryo Nakabayashi et al.

JOURNAL OF NUTRITION (2016)

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Article Biochemical Research Methods

21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometer Greatly Expands Mass Spectrometry Toolbox

Jared B. Shaw et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2016)

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Review Biochemistry & Molecular Biology

Native Mass Spectrometry in Fragment-Based Drug Discovery

Liliana Pedro et al.

MOLECULES (2016)

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Article Environmental Sciences

Biodegradation of carbamazepine and clarithromycin by Trichoderma harzianum and Pleurotus ostreatus investigated by liquid chromatography - high-resolution tandem mass spectrometry (FTICR MS-IRMPD)

Alessandro Buchicchio et al.

SCIENCE OF THE TOTAL ENVIRONMENT (2016)

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Article Chemistry, Multidisciplinary

UHPLC-FT-ICR-MS combined with serum pharmacochemistry for bioactive compounds discovery of Zhi-Zi-Da-Huang-decoction against alcohol-induced hepatotoxicity in rats

Fei Han et al.

RSC ADVANCES (2016)

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Review Spectroscopy

Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations

Eugene N. Nikolaev et al.

MASS SPECTROMETRY REVIEWS (2016)

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Article Biochemical Research Methods

Bioaffinity Mass Spectrometry Screening

Ben Yang et al.

JOURNAL OF BIOMOLECULAR SCREENING (2016)

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Review Biochemistry & Molecular Biology

Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems

Daniel A. Dias et al.

METABOLITES (2016)

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Article Chemistry, Inorganic & Nuclear

Binding of an organo-osmium(II) anticancer complex to guanine and cytosine on DNA revealed by electron-based dissociations in high resolution Top-Down FT-ICR mass spectrometry

Christopher A. Wootton et al.

DALTON TRANSACTIONS (2015)

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Article Physics, Atomic, Molecular & Chemical

40 years of Fourier transform ion cyclotron resonance mass spectrometry

Alan G. Marshall et al.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2015)

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Article Plant Sciences

Top-down Targeted Metabolomics Reveals a Sulfur-Containing Metabolite with Inhibitory Activity against Angiotensin-Converting Enzyme in Asparagus officinalis

Ryo Nakabayashi et al.

JOURNAL OF NATURAL PRODUCTS (2015)

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Review Biochemistry & Molecular Biology

Molecular Docking and Structure-Based Drug Design Strategies

Leonardo G. Ferreira et al.

MOLECULES (2015)

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Article Biochemical Research Methods

Workflow4Metabolomics: a collaborative research infrastructure for computational metabolomics

Franck Giacomoni et al.

BIOINFORMATICS (2015)

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Review Chemistry, Medicinal

The application of metabolomics in traditional Chinese medicine opens up a dialogue between Chinese and Western medicine

Hongxin Cao et al.

PHYTOTHERAPY RESEARCH (2015)

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Article Chemistry, Analytical

Ion Coalescence of Neutron Encoded TMT 10-Plex Reporter Ions

Thilo Werner et al.

ANALYTICAL CHEMISTRY (2014)

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Review Engineering, Chemical

Pharmaceutical Industry Wastewater: Review of the Technologies for Water Treatment and Reuse

Chandrakanth Gadipelly et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2014)

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Review Chemistry, Analytical

Critical practical aspects in the application of liquid chromatography-mass spectrometric studies for the characterization of impurities and degradation products

Mallikarjun Narayanam et al.

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2014)

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Article Chemistry, Analytical

Orbitrap Mass Spectrometry

Roman A. Zubarev et al.

ANALYTICAL CHEMISTRY (2013)

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Article Geochemistry & Geophysics

Characterization of IHSS Pony Lake fulvic acid dissolved organic matter by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and fluorescence spectroscopy

Juliana D'Andrilli et al.

ORGANIC GEOCHEMISTRY (2013)

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Article Biochemical Research Methods

Identification of impurities in methotrexate drug substances using high-performance liquid chromatography coupled with a photodiode array detector and Fourier transform ion cyclotron resonance mass spectrometry

Cai-Sheng Wu et al.

RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2013)

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Article Multidisciplinary Sciences

Direct Characterization of Bulk Samples by Internal Extractive Electrospray Ionization Mass Spectrometry

Hua Zhang et al.

SCIENTIFIC REPORTS (2013)

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Article Chemistry, Analytical

Use of High Resolution Mass Spectrometry for Analysis of Polymeric Excipients in Drug Delivery Formulations

Pilar Perez Hurtado et al.

ANALYTICAL CHEMISTRY (2012)

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Article Chemistry, Analytical

XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

Ralf Tautenhahn et al.

ANALYTICAL CHEMISTRY (2012)

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Article Chemistry, Analytical

Toward Full Peptide Sequence Coverage by Dual Fragmentation Combining Electron-Transfer and Higher-Energy Collision Dissociation Tandem Mass Spectrometry

Christian K. Frese et al.

ANALYTICAL CHEMISTRY (2012)

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Review Biochemical Research Methods

Recent developments in liquid chromatography-mass spectrometry and related techniques

Michal Holcapek et al.

JOURNAL OF CHROMATOGRAPHY A (2012)

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Article Biochemical Research Methods

Fourier Transform Ion Cyclotron Resonance Mass Resolution and Dynamic Range Limits Calculated by Computer Modeling of Ion Cloud Motion

Gleb Vladimirov et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2012)

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Article Biochemical Research Methods

Ultra High Resolution Linear Ion Trap Orbitrap Mass Spectrometer (Orbitrap Elite) Facilitates Top Down LC MS/MS and Versatile Peptide Fragmentation Modes

Annette Michalski et al.

MOLECULAR & CELLULAR PROTEOMICS (2012)

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Article Biochemical Research Methods

Initial Experimental Characterization of a New Ultra-High Resolution FTICR Cell with Dynamic Harmonization

Eugene N. Nikolaev et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2011)

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Article Biochemical Research Methods

Fourier Transform Mass Spectrometry

Michaela Scigelova et al.

MOLECULAR & CELLULAR PROTEOMICS (2011)

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Review Biochemical Research Methods

A concise review of mass spectrometry imaging

Erika R. Amstalden van Hove et al.

JOURNAL OF CHROMATOGRAPHY A (2010)

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Article Physics, Atomic, Molecular & Chemical

A study of the non-covalent interaction between flavonoids and DNA triplexes by electrospray ionization mass spectrometry

Cuihong Wan et al.

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2009)

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Article Biochemical Research Methods

Investigation of double-stranded DNA/drug interaction by ESI/FT ICR: orientation of dissociations relates to stabilizing salt bridges

Ying Xu et al.

JOURNAL OF MASS SPECTROMETRY (2008)

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Review Spectroscopy

ORBITRAP MASS SPECTROMETRY: INSTRUMENTATION, ION MOTION AND APPLICATIONS

Richard H. Perry et al.

MASS SPECTROMETRY REVIEWS (2008)

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Article Biochemical Research Methods

Higher-energy C-trap dissociation for peptide modification analysis

Jesper V. Olsen et al.

NATURE METHODS (2007)

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Article Biochemical Research Methods

Mapping noncovalent ligand binding to stemloop domains of the HIV-1 packaging signal by tandem mass spectrometry

Kevin B. Turner et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2006)

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Review Pharmacology & Pharmacy

FT-ICR mass spectrometry in the drug discovery process

J Zhang et al.

DRUG DISCOVERY TODAY (2005)

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Article Chemistry, Analytical

Principles of Fourier transform ion cyclotron resonance mass spectrometry and its application in structural biology

MP Barrow et al.

ANALYST (2005)

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Article Biochemical Research Methods

Charge competition and the linear dynamic range of detection in electrospray ionization mass spectrometry

KQ Tang et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2004)

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Review Medical Laboratory Technology

Ion suppression in mass spectrometry

TM Annesley

CLINICAL CHEMISTRY (2003)

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Article Chemistry, Analytical

Interfacing the orbitrap mass analyzer to an electrospray ion source

M Hardman et al.

ANALYTICAL CHEMISTRY (2003)

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Article Chemistry, Analytical

Electrostatic axially harmonic orbital trapping: A high-performance technique of mass analysis

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ANALYTICAL CHEMISTRY (2000)

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Article Chemistry, Analytical

Probing the stoichiometry and oxidation states of metal centers in iron-sulfur proteins using electrospray FTICR mass spectrometry

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ANALYTICAL CHEMISTRY (2000)

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