Application Of Mass Spectrometry Research Articles

Application of sandpaper spray ionization mass spectrometry to comprehensively examine maple leaves infected with distinct fungi.

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 addition of a methanol-formic acid solution. Multivariate statistical analysis categorized the samples into three groups. Overall, SPS-MS effectively analyzed leaves with infectious microorganisms, potentially aiding in the creation of fungal identification databanks.

Multiclass Determination of Endocrine-Disrupting Chemicals in Meconium: First Evidence of Perfluoroalkyl Substances in This Biological Compartment.

Major concerns have been raised about human exposure to endocrine-disrupting chemicals (EDCs) during pregnancy. Effective methodologies for the assessment of this exposure are needed to support the implementation of preventive measures and the prediction of negative health effects. Meconium has proven a valuable non-invasive matrix for evaluating cumulative exposure to xenobiotics during the last two trimesters of pregnancy. The study objective was to develop a novel method to determine the presence in meconium of perfluoroalkyl substances (PFASs), bisphenols, parabens, and benzophenones, EDCs that are widely used in the manufacture of numerous consumer goods and personal care products, including cosmetics. Ten PFASs, two bisphenols, four parabens, and four benzophenones were measured in meconium samples prepared by using a combination of Captiva Enhanced Matrix Removal (EMR) lipid cartridges with salt-assisted liquid-liquid extraction (SALLE) and dispersive liquid-liquid microextraction (DLLME) before the application of liquid chromatography-tandem mass spectrometry (LC-MS/MS). Experimental parameters were optimized by applying different chemometric techniques. Limits of detection ranged from 0.05 to 0.1 ng g-1, and between-day variabilities (relative standard deviations) ranged from 6.5% to 14.5%. The method was validated by matrix-matched standard calibration followed by a recovery assay with spiked samples, obtaining percentage recoveries of 89.9% to 114.8%. The method was then employed to measure compounds not previously studied in this matrix in 20 meconium samples. The proposed analytical procedure yields information on cumulative in utero exposure to selected EDCs.

SpectraX: A Straightforward Tool for Principal Component Analysis-Based Spectral Analysis.

The analysis of complex spectra is an important component of direct/ambient mass spectrometry (MS) applications such as natural product screening. Unlike chromatography-based metabolomics or proteomics approaches, which rely on software and algorithms, the work of spectral screening is mostly performed manually in the initial stages of research and relies heavily on the experience of the analyst. As a result, throughput and spectral screening reliability are problematic when dealing with large amounts of data. Here, we present SpectraX, a MATLAB-based application, which can analyze MS spectra and quickly locate m/z features from them. Principal component analysis (PCA) is used to analyze the data set, and scoring plots are presented to help in understanding the clustering of data. The algorithm uses mass to charge (m/z) features to produce a list of potential natural products.

Uncovering the fragmentation and separation characteristics of sophorolipid biosurfactants with LC-MS-ESI.

This article describes the process and challenges in identifying different structures of eco-friendly biosurfactants, providing a novel database to compare results.

Retracted: Construction and Application of MALDI-TOF Mass Spectrometry for the Detection of Haemophilus parasuis.

[This retracts the article DOI: 10.1155/2021/5588855.].

NMR- and HRMS-based untargeted metabolomic study of metal-stressed Euglena gracilis cells

Environmental contamination is an increasing problem and one of the main threats to human health. While euglenoids have been shown to tolerate high levels of metals, little is known about the metabolic mechanisms at play. To address this gap, Euglena gracilis cells in the mixotrophic exponential phase were exposed to high levels of cadmium (Cd), cobalt (Co), or copper (Cu) (2.7–190.7 mg L−1) and the cellular metabolic profiles were explored using a multi-pronged untargeted approach. The combined application of proton nuclear magnetic resonance (1H NMR) and high-resolution mass spectrometry (HRMS) expanded the coverage of detected metabolites by 38–58 % using the computational platform Pathos and the metabolite databases KEGG, Metlin, and Chenomx. Only 3 % of the identified metabolites were found to be common to 1H NMR and HRMS. This low overlap indicates that the two methods complement each other, with each method uncovering a unique set of metabolites. Although four metabolic pathways including purine metabolism, alanine, aspartate, and glutamate metabolism, and the citrate cycle were common to all metal treatments, sixteen metabolic pathways were metal-specific. Notably, the metabolic alterations induced by Cd and Co differed from each other and the control, while the metabolic profile of Cu-treated cells resembled the control more closely. Unlike Co which showed a broad impact on Euglena gracilis metabolism, the stress induced by Cd and Cu exposure seems to target more the amino sugar production and the chlorophyll machinery, respectively. The observed metabolic alterations in response to various metals highlight a potential correlation with the generation of reactive oxygen species (ROS). Together these results contribute to a better understanding of cellular toxicity and the impacts of metal-induced oxidative stress in Euglena gracillis cells.

A crustacean neuropeptide spectral library for data-independent acquisition (DIA) mass spectrometry applications.

Neuropeptides have tremendous potential for application in modern medicine, including utility as biomarkers and therapeutics. To overcome the inherent challenges associated with neuropeptide identification and characterization, data-independent acquisition (DIA) is a fitting mass spectrometry (MS) method of choice to achieve sensitive and accurate analysis. It is advantageous for preliminary neuropeptidomic studies to occur in less complex organisms, with crustacean models serving as a popular choice due to their relatively simple nervous system. With spectral libraries serving as a means to interpret DIA-MS output spectra, and Cancer borealis as a model of choice for neuropeptide analysis, we performed the first spectral library mapping of crustacean neuropeptides. Leveraging pre-existing data-dependent acquisition (DDA) spectra, a spectral library was built using PEAKS Online. The library is comprised of 333 unique neuropeptides. The identification results obtained through the use of this spectral library were compared with those achieved through library-free analysis of crustacean brain, pericardial organs (PO), and thoracic ganglia (TG) tissues. A statistically significant increase (Student's t-test, P value<0.05) in the number of identifications achieved from the TG data was observed in the spectral library results. Furthermore, in each of the tissues, a distinctly different set of identifications was found in the library search compared to the library-free search. This work highlights the necessity for the use of spectral libraries in neuropeptide analysis, illustrating the advantage of spectral libraries for interpreting DIA spectra in a reproducible manner with greater neuropeptidomic depth.

Applications of Mass Spectrometry in the Characterization, Screening, Diagnosis, and Prognosis of COVID-19.

Mass spectrometry (MS) is a powerful analytical technique that plays a central role in modern protein analysis and the study of proteostasis. In the field of advanced molecular technologies, MS-based proteomics has become a cornerstone that is making a significant impact in the post-genomic era and as precision medicine moves from the research laboratory to clinical practice. The global dissemination of COVID-19 has spurred collective efforts to develop effective diagnostics, vaccines, and therapeutic interventions. This chapter highlights how MS seamlessly integrates with established methods such as RT-PCR and ELISA to improve viral identification and disease progression assessment. In particular, matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) takes the center stage, unraveling intricate details of SARS-CoV-2 proteins, revealing modifications such as glycosylation, and providing insights critical to formulating therapies and assessing prognosis. However, high-throughput analysis of MALDI data presents challenges in manual interpretation, which has driven the development of programmatic pipelines and specialized packages such as MALDIquant. As we move forward, it becomes clear that integrating proteomic data with various omic findings is an effective strategy to gain a comprehensive understanding of the intricate biology of COVID-19 and ultimately develop targeted therapeutic paradigms.

Advances in the application of proton transfer reaction mass spectrometry

With the continuous development of social science and technology, micro-area information has become an important part of modern material information research, environmental scanning electron microscope (ESEM) is a new type of scanning electron microscope (SEM) developed in recent years. ESEM follows the principle of scanning electron microscopy and uses high-energy electron beams to hit the surface of an object, transforming the surface morphology into electrical signals that characterize brightness. Compared to traditional scanning electron microscopes, ESEM does not require samples to be dry, clean, and conductive. In addition, it can also observe and analyse samples in atmospheric and other environments and is widely used in multiple disciplines such as life sciences, medicine, and materials science. Therefore, this paper introduces the composition and working principle of ESEM describes the basic features of ESEM, and introduces the applications of ESEM in different fields, aiming to provide a reference role for the development of ESEM.

Biophysical Characterization of RAS-SOS Complexes by Native Mass Spectrometry.

RAS is regulated by specific guanine nucleotide exchange factors, such as Son of Sevenless (SOS), that activates RAS by facilitating the exchange of inactive, GDP-bound RAS with GTP. The catalytic activity of SOS is known to be allosterically modulated by an active, GTP-bound RAS. However, it remains poorly understood how oncogenic RAS mutants interact with SOS and modulate its activity. In this chapter, we describe the application of native mass spectrometry (MS) to monitor the assembly of the catalytic domain of SOS (SOScat) with RAS and cancer-associated mutants. Results from this approach have led to the discovery of different molecular assemblies and distinct conformers of SOScat engaging KRAS. It was also found that KRASG13D exhibits high affinity for SOScat and is a potent allosteric modulator of its SOScat activity. KRASG13D-GTP can allosterically increase the nucleotide exchange rate of KRAS at the active site by more than twofold compared to the wild-type protein. Furthermore, small-molecule RAS•SOS disruptors fail to dissociate KRASG13D•SOScat complexes, underscoring the need for more potent disruptors targeting oncogenic RAS mutants. Taken together, native MS will be instrumental in better understanding the interaction between oncogenic RAS mutants and SOS, which is of crucial importance for development of improved therapeutics.

Self-aspiration sampling design for rapid analyses of volatile organic compounds based on atmospheric pressure chemical ionization/photoionization combined ionization source mass spectrometry.

Development of combined mass spectrometry ionization sources has enabled expansion of the application and scope of mass spectrometry. A novel hybrid ionization system combining vacuum ultraviolet (VUV) and atmospheric pressure chemical ionization (APCI) was constructed. Gaseous samples were self-aspirated into an ionization zone through a capillary by negative pressure, generated by high-speed airflow based on the Venturi effect. Compared with APCI mode alone, the signal-to-noise ratio (S/N) in APCI/VUV mode was increased by about 276-times. To increase the ionization efficiency further, correlated experimental conditions were optimized. Four types of volatile organic compounds (VOCs) were tested to evaluate the performance of the APCI/VUV ion source. Excellent linearity and limit of detection were achieved for compounds in mixed solutions. Quantitative analyses of four VOCs (toluene, cyclohexanone, styrene and ethylbenzene) using APCI/VUV-MS were done, and the relative standard deviations (RSDs) were 1.57%, 6.30%, 4.49% and 8.21%, respectively, indicating that the APCI/VUV ionization source had excellent reproducibility. Our results demonstrated that the developed method was promising for analyzing VOCs as well as being rapid, simple, and easy to operate.

Native mass spectrometry of complexes formed by molecular glues reveals stoichiometric rearrangement of E3 ligases.

In this application of native mass spectrometry (nMS) to investigate complexes formed by molecular glues (MGs), we have demonstrated its efficiency in delineating stoichiometric rearrangements of E3 ligases that occur during targeted protein degradation (TPD). MGs stabilise interactions between an E3 ligase and a protein of interest (POI) targeted for degradation, and these ternary interactions are challenging to characterise. We have shown that nMS can unambiguously identify complexes formed between the CRBN : DDB1 E3 ligase and the POI GSPT1 upon the addition of lenalidomide, pomalidomide or thalidomide. Ternary complex formation was also identified involving the DCAF15 : DDA1 : DDB1 E3 ligase in the presence of MG (E7820 or indisulam) and POI RBM39. Moreover, we uncovered that the DCAF15 : DDA1 : DDB1 E3 ligase self-associates into dimers and trimers when analysed alone at low salt concentrations (100 mM ammonium acetate) which dissociate into single copies of the complex at higher salt concentrations (500 mM ammonium acetate), or upon the addition of MG and POI, forming a 1 : 1 : 1 ternary complex. This work demonstrates the strength of nMS in TPD research, reveals novel binding mechanisms of the DCAF15 E3 ligase, and its self-association into dimers and trimers at reduced salt concentration during structural analysis.

Recent development and applications of differential electrochemical mass spectrometry in emerging energy conversion and storage solutions.

Electrochemical energy conversion and storage are playing an increasingly important role in shaping the sustainable future. Differential electrochemical mass spectrometry (DEMS) offers an operando and cost-effective tool to monitor the evolution of gaseous/volatile intermediates and products during these processes. It can deliver potential-, time-, mass- and space-resolved signals which facilitate the understanding of reaction kinetics. In this review, we show the latest developments and applications of DEMS in various energy-related electrochemical reactions from three distinct perspectives. (I) What is DEMS addresses the working principles and key components of DEMS, highlighting the new and distinct instrumental configurations for different applications. (II) How to use DEMS tackles practical matters including the electrochemical test protocols, quantification of both potential and mass signals, and error analysis. (III) Where to apply DEMS is the focus of this review, dealing with concrete examples and unique values of DEMS studies in both energy conversion applications (CO2 reduction, water electrolysis, carbon corrosion, N-related catalysis, electrosynthesis, fuel cells, photo-electrocatalysis and beyond) and energy storage applications (Li-ion batteries and beyond, metal-air batteries, supercapacitors and flow batteries). The recent development of DEMS-hyphenated techniques and the outlook of the DEMS technique are discussed at the end. As DEMS celebrates its 40th anniversary in 2024, we hope this review can offer electrochemistry researchers a comprehensive understanding of the latest developments of DEMS and will inspire them to tackle emerging scientific questions using DEMS.

Toward practical mass spectrometry with nanomechanical pillar resonators by surface acoustic wave transduction

Nanoelectromechanical systems (NEMS) have shown outstanding performance in the detection of small masses down to single proton sensitivity. To obtain a high enough throughput for application in practical mass spectrometry, NEMS resonators are arranged in two-dimensional (2D) arrays. However, all state-of-the-art electromechanical transduction methods rely on electrical lines placed close to the mechanical resonators, which drastically restricts the density of 2D resonator arrays. An exception is the transduction by surface acoustic waves (SAWs), which has so far only been shown for the transduction of single nanomechanical pillar resonators. Here, we demonstrate the transduction of pillar pairs by SAWs. The pillars have a diameter of 700 nm and show a mass responsivity of −588 ± 98 ng−1. The distances between the pillar pairs are 70 nm and 14.3 µm. SAW transduction enabled us to measure both pillars of each pair with electrical lines no closer than 300 µm, illustrating the potential of SAWs to transduce dense arrays of pillar resonators, a crucial step toward practical mass spectrometry with NEMS.

Making MS Omics Data ML-Ready: SpeCollate Protocols.

The increasing complexity and volume of mass spectrometry (MS) data have presented new challenges and opportunities for proteomics data analysis and interpretation. In this chapter, we provide a comprehensive guide to transforming MS data for machine learning (ML) training, inference, and applications. The chapter is organized into three parts. The first part describes the data analysis needed for MS-based experiments and a general introduction to our deep learning model SpeCollate-which we will use throughout the chapter for illustration. The second part of the chapter explores the transformation of MS data for inference, providing a step-by-step guide for users to deduce peptides from their MS data. This section aims to bridge the gap between data acquisition and practical applications by detailing the necessary steps for data preparation and interpretation. In the final part, we present a demonstrative example of SpeCollate, a deep learning-based peptide database search engine that overcomes the problems of simplistic simulation of theoretical spectra and heuristic scoring functions for peptide-spectrum matches by generating joint embeddings for spectra and peptides. SpeCollate is a user-friendly tool with an intuitive command-line interface to perform the search, showcasing the effectiveness of the techniques and methodologies discussed in the earlier sections and highlighting the potential of machine learning in the context of mass spectrometry data analysis. By offering a comprehensive overview of data transformation, inference, and ML model applications for mass spectrometry, this chapter aims to empower researchers and practitioners in leveraging the power of machine learning to unlock novel insights and drive innovation in the field of mass spectrometry-based omics.

Mass spectrometry in clinical laboratory: applications and future prospects

Innovations in laboratory medicine face additional challenges due to the unmet need for extremely precise methods of disease diagnosis. Developments in mass spectrometry-based disease biomarker identification are constantly expanding the field of clinical diagnosis. More mass spectrometry-based in vitro diagnostics are anticipated to move from the bench to the bedside shortly, although several are currently incorporated into standard clinical procedures. The molecular detection by mass spectrometry technique is very effective in diagnosis of the disease and therapeutic monitoring because of its extremely high sensitivity, specificity, and short turnaround time. Mass spectrometry is a potent analytical instrument that may be used to analyse a variety of materials and matrices; its use in clinical laboratory medicine applications is rising. For clinical prognostics and diagnostic purposes, mass spectrometry imaging has been widely utilized to distinguish between healthy and diseased tissues. Modern single-cell studies will benefit from its cutting-edge applications, which will offer comprehensive cellular biochemical data for mechanistic comprehension and, eventually, the development of therapeutic interventions. Within the field of laboratory medicine, the application of mass spectrometry is crucial, especially in terms of diagnostics and therapeutic drug monitoring. This review on the clinical application of mass spectrometry and its future prospects promises an insightful exploration of the evolving landscape of mass spectrometry in clinical settings, delving into its current applications and shedding light on its potential future advancements, for which a comprehensive search in the PubMed, ScienceDirect, and Web of Science databases was conducted.

Application of gas chromatography-stable isotope mass spectrometry to determine the oxygen isotope ratio of water in concentrated fruit juice

In this study, we developed a method to determine the authenticity of concentrated fruit juice using the δ18O ratio of water. We utilized the gas chromatography-isotope ratio mass spectrometry (GC-IRMS) technique along with the offline isotope exchange equilibrium method to pretreat and measure the oxygen isotopes in water in concentrated apple juice. This innovative approach uses anhydrous ethanol as a solvent to dissolve concentrated juices, thereby facilitating a more comprehensive reaction between the water in the sample and the CO2 standard gas. Additionally, the reaction vessel exhibits excellent air tightness, ensuring rapid equilibrium time and enabling accurate determination of δ18O in the water content of concentrated juice. The reaction vessel had excellent air tightness and rapid equilibration time, enabling accurate measurement of δ18O of water in concentrated fruit juice. The reaction vessel used had excellent air tightness and rapid equilibration time, ensuring accurate measurement of the δ18O of water in concentrated fruit juice. We analyzed 40 samples of concentrated apple juice and found that the range of δ18O values in the water of concentrated apple juice was between 1.29 ‰ and 7.59 ‰. Additionally, we used prepared sucrose syrup as a simulated sample and found that the δ18O distribution range was between −10.43 ‰ and −10.53 ‰. Furthermore, we conducted adulteration simulation experiments on randomly selected real samples and discovered a linear negative correlation between the adulteration ratio and the δ18O value of water in the samples.

Low-Cost, Compact Quadrupole Mass Filters with Unity Mass Resolution via Ceramic Resin Vat Photopolymerization.

This study reports novel, compact, and additively manufactured quadrupole mass filters (QMFs) with adequate filtering performance for practical mass spectrometry applications. The QMFs are monolithically fabricated via vat photopolymerization of glass-ceramic resin using 57µm×57µm×100µm voxels, and selective electroless plating of nickel-boron. Experimental characterization of QMF prototypes at 1.74MHz using FC-43 yields 131Da peaks with 0.50Da full width at half maximum (260 resolution), surpassing the resolution of reported miniaturized counterparts under similar conditions, and being on par with commercial, non-miniaturized, heavier devices. The sensitivity of the 3D-printed devices is estimated at 0.13mATorr-1 (comparable to that of optimized, commercial counterparts), while the devices attained up to 250Da of mass range (limited by the driving electronics). The work is of interest to low-cost, capable mass spectrometry, 3D-printed instruments, and in-space manufacturing of complex instrumentation.

Carbon isotope ratios of phenethylamine and its urinary metabolite phenylacetylglutamine.

Phenethylamine (PEA) is a naturally occurring trace amine that acts as a modulator in the central nervous system. It is widely sold as a dietary supplement and advertised for its mood enhancing effects and should support weight loss. It is prohibited in sports and itemized as a stimulant on the Prohibited List issued by the World Anti-Doping Agency (WADA). After oral administration of PEA, its urinary concentration is found only slightly elevated while metabolites of PEA show a significant increase. Besides 2-(2-hydroxyphenyl)acetamide sulfate, especially phenylacetylglutamine (PAG) was found at significantly elevated urinary concentrations after the administration. Due to large inter- and intra-individual variations in urinary concentrations of all metabolites, establishing a concentration or concentration ratio-based threshold remained complicated to unambiguously identify post-administration samples. In accordance with the approach employed in detecting testosterone misuse, the applicability of isotope ratio mass spectrometry to differentiate between endogenously elevated concentrations and PEA administrations was investigated. A method encompassing solid-phase extraction combined with acetylation and high-performance liquid chromatography (HPLC)-based clean-up was developed and validated for PEA. The more abundant metabolite PAG was purified by a direct injection approach on the HPLC and could be analyzed without the need for derivatization. Both methods were validated considering applicable WADA regulations. A reference population encompassing n = 57 samples was investigated to establish population-based thresholds considering the carbon isotope ratios (CIRs) found at natural abundance for PAG. The derived threshold was tested for its applicability by re-analysis of numerous post-administration samples encompassing single- and multi-dose trials.

Porous Noble Metal‐Based Nanomaterials in Biomedical Applications

Noble metal‐based nanomaterials have attracted tremendous attention in biomedical applications due to their unique electrical, optical, and chemical properties, playing crucial roles in the ultrasensitive detection of biomarkers, bioimaging, cancer therapy, etc. Especially, porous noble metal‐based nanomaterials show superior performance due to the large specific area and multiple active sites. Platforms constructed from porous noble metal‐based nanomaterials are emerging as highly promising tools for various biomedical applications. Herein, the properties and synthesis strategies of porous noble metal‐based nanomaterials are briefly introduced. Then the recent progress of porous noble metal‐based nanomaterials in the biomedical field is highlighted, focusing primarily on their applications in optics, electrochemistry, and mass spectrometry. Finally, the challenges related to fabrication and biocompatibility for their applications while also providing an outlook on their widespread use in clinical situations are discussed. This review aims to provide further insights into the design of porous noble metal‐based nanomaterials and expand their applications in the biomedical field.