117 results on '"Desorption electrospray ionization mass spectrometry"'
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2. Chemical characterization and classification of vegetable oils using DESI-MS coupled with a neural network.
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Cui Y, Zhu L, Li Y, Ge K, Lu W, Ge L, Chen K, Xue J, Zheng F, Dai S, Pan H, Liang J, Ji L, and Shen Q
- Abstract
This study tackled mislabeling fraud in vegetable oils, driven by price disparities and profit motives, by developing an approach combining desorption electrospray ionization mass spectrometry (DESI-MS) with a shallow convolutional neural network (SCNN). The method was designed to characterize lipids and distinguish between nine vegetable oils: corn, soybean, peanut, sesame, rice bran, sunflower, camellia, olive, and walnut oils. The optimized DESI-MS method enhanced the ionization of non-polar glycerides and detected ion adducts like [TG + Na]
+ , [TG + NH4 ]+ . This process identified 53 lipid peaks, forming a robust lipid fingerprint for each oil type. An SCNN model was developed using fingerprints, achieving an impressive classification accuracy of 98.5 ± 2.2 %. The integration of DESI-MS with SCNN provides a fast and reliable tool for identifying and classifying vegetable oils, thereby reducing mislabeling fraud and assuring oil quality. By enabling accurate authentication, it contributes to improved transparency and integrity in food labeling and quality control practices., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)- Published
- 2024
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3. An experimental study on distinguishing gel pen ink stains using desorption electrospray ionization mass spectroscopy combined with the K -means algorithm.
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Yuan Y, Tao Y, and Qin D
- Abstract
In the realm of document examination, the identification of suspicious alterations to handwritten documents is an important factor in case characterization. Investigating the differences in gel pen ink compositions has significant implications. In this study, we used desorption electrospray ionization mass spectrometry (DESI-MS) to analyze the ink compositions of gel pens. The methodology involved the following steps. (i) Sample selection: a total of 227 gel pens available in the market were procured for the study. (ii) Pre-experimental parameter exploration: preliminary experiments were performed to optimize the experimental parameters. (iii) Analytical technique: DESI-MS was used to collect compositional data from the gel pen ink samples, without requiring pre-treatment of the samples. (iv) Data analysis: the obtained data were analyzed using the Davies-Bouldin index, Calinski-Harabasz index, and K -means algorithm for ink sample classification. The experimental findings indicated that DESI-MS is a viable method for examining the ink compositions of gel pens. Notably, the testing process is minimally destructive and does not necessitate pre-treatment of the samples. Furthermore, variations in the ink compositions were observed among different models of gel pens within the same brand, and the extent of the variation in the composition varied across brands. Additionally, there were instances in which the ink compositions of different brands of gel pens exhibited similarities., (© The Author(s) 2024. Published by OUP on behalf of the Academy of Forensic Science.)
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- 2024
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4. The Imprinted PARAFILM as a New Carrier Material for Dried Plasma Spots (DPSs) Utilizing Desorption Electrospray Ionization Mass Spectrometry (DESI-MS) in Phospholipidomics
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Jiansong Chen, Yue Hu, Congxiang Shao, Haiyun Zhou, and Zhiyue Lv
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carrier material ,desorption electrospray ionization mass spectrometry ,dried plasma spots ,phospholipidomics ,parafilm ,Chemistry ,QD1-999 - Abstract
The application of desorption electrospray ionization mass spectrometry (DESI-MS) and dried blood spot (DBS) sampling has been successfully implemented several times. However, the difficulty of combining DBS sampling with DESI-MS is still the carrier material used for the blood samples. In this study, a new, easily obtained, and cost-effective carrier substrate for dried plasma spot (DPS) sampling and DESI-MS analysis and its application in phospholipidomics studies was described. First, the effects of several carrier materials, including cellulose-based materials (31 ET paper and filter paper) and non-cellulose-based materials (PARAFILM and its shape-modified material, PTFE-printed glass slide and polyvinylidene fluoride film), were tested. Second, a method combining DPS sampling with DESI-MS for phospholipidomics analysis was established, and parameters affecting compound signal intensities, such as sample volume and sprayer solvent system, were optimized. In conclusion, the total signal intensity obtained from shape-modified PARAFILM was the strongest. The suitable plasma sample volume deposited on PARAFILM carriers was 5 μl, and acetonitrile (ACN) was recommended as the optimal spray solvent for phospholipid (PL) profiling. Repeatability (87.5% of compounds with CV < 30%) and stability for data acquisition (48 h) were confirmed. Finally, the developed method was applied in phospholipidomics analysis of schistosomiasis, and a distinguished classification between control mice and infected mice was observed by using multivariate pattern recognition analysis, confirming the practical application of this new carrier material for DPS sampling and DESI-MS analysis. Compared with a previously reported method, the rapid metabolomics screening approach based on the implementation of DPS sampling coupled with the DESI-MS instrument developed in this study has increased analyte sensitivity, which may promote its further application in clinical studies.
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- 2021
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5. Developing a detection strategy for ten paralytic shellfish poisonings in urine, combining high-throughput DESI-MS screening and accurate UPLC-QqQ/MS quantification.
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Cai, Jing, Li, Shiyan, Wang, Qingcheng, Deng, Dan, Wang, Shitong, Ge, Lijun, Cui, Yiwei, Shen, Yuejian, and Shen, Qing
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PARALYTIC shellfish poisoning , *PARALYTIC shellfish toxins , *SHELLFISH , *DESORPTION ionization mass spectrometry , *ELECTROSPRAY ionization mass spectrometry , *HIGH throughput screening (Drug development) , *SHELLFISH fisheries - Abstract
• PSP is widespread and harmful form of shellfish poisoning. • DESI-MS was applied to high-throughput and fast screen PSP. • UPLC-QqQ/MS was for accurate quantitation of PSP in urine. • The strategy was validated to be precise and efficient. Paralytic shellfish poisoning (PSP) is the most widespread and harmful form of shellfish poisoning with high mortality rate. In this study, a combined desorption electrospray ionization mass spectrometry (DESI-MS) and ultra-performance liquid chromatography triple quadrupole mass spectrometry (UPLC-QqQ/MS) method was established for the detection of PSPs in urine. The method was optimized using a spray solution of methanol and water (1:1, v/v) containing 0.1 % FA, at a flow rate of 2.5 µL·min−1 and an applied voltage of 3 kV. The limit of detection (LOD) for PSPs detection by DESI-MS was in the range of 87–265 μg·L−1, which basically meets the requirements for the rapid screening of PSPs. The LOD for UPLC-QqQ/MS was in the range of 2.2–14.9 μg·L−1, with a limit of quantification (LOQ) of 7.3–49.7 μg·L−1, thus fulfilling the quantitative demand for PSPs in urine. Finally, after spiking the urine samples of six volunteers with PSPs to a concentration of 100 μg·L−1, DESI-MS successfully and efficiently detected the positive samples. Subsequently, UPLC-QqQ/MS was employed for precise quantification, yielding results in the range of 84.6–95.1 μg·L−1. The experimental findings demonstrated that the combination of DESI-MS and UPLC-QqQ/MS enables high-throughput, rapid screening of samples and accurate quantification of positive samples, providing assurance for food safety and human health. [ABSTRACT FROM AUTHOR]
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- 2024
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6. Ambient Mass Spectrometry
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Gross, Jürgen H. and Gross, Jürgen H.
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- 2011
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7. Translational Medicine: Application of Omics for Drug Target Discovery and Validation
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Zhang, Xuewu, Wang, Wei, Xiao, Kaijun, Shi, Lei, and Cho, William C.S., editor
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- 2010
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8. Desorption electrospray ionization mass spectrometry imaging in discovery and development of novel therapies
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Terese Soudah, Katherine Margulis, and Amani Zoabi
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Tissue imaging ,Chemistry ,Drug discovery ,Desorption electrospray ionization mass spectrometry ,Druggability ,Computational biology ,Condensed Matter Physics ,Mass spectrometry ,General Biochemistry, Genetics and Molecular Biology ,Analytical Chemistry ,Drug development ,Drug delivery ,Spectroscopy ,Ambient ionization - Abstract
Desorption electrospray ionization mass spectrometry imaging (DESI-MSI) is one of the least specimen destructive ambient ionization mass spectrometry tissue imaging methods. It enables rapid simultaneous mapping, measurement, and identification of hundreds of molecules from an unmodified tissue sample. Over the years, since its first introduction as an imaging technique in 2005, DESI-MSI has been extensively developed as a tool for separating tissue regions of various histopathologic classes for diagnostic applications. Recently, DESI-MSI has also emerged as a versatile technique that enables drug discovery and can guide the efficient development of drug delivery systems. For example, it has been increasingly employed for uncovering unique patterns of in vivo drug distribution, the discovery of potentially treatable biochemical pathways, revealing novel druggable targets, predicting therapeutic sensitivity of diseased tissues, and identifying early tissue response to pharmacological treatment. These and other recent advances in implementing DESI-MSI as the tool for the development of novel therapies are highlighted in this review.
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- 2021
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9. Adhesive film applications help to prepare strawberry fruit sections for desorption electrospray ionization-mass spectrometry imaging
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Hirofumi Enomoto
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0301 basic medicine ,Spectrometry, Mass, Electrospray Ionization ,Electrospray ,Desorption electrospray ionization mass spectrometry ,Mass spectrometry ,Fragaria ,01 natural sciences ,Applied Microbiology and Biotechnology ,Biochemistry ,Mass spectrometry imaging ,Analytical Chemistry ,03 medical and health sciences ,Adhesives ,Desorption ,Molecular Biology ,chemistry.chemical_classification ,Desorption electrospray ionization ,Chromatography ,Chemistry ,010401 analytical chemistry ,Organic Chemistry ,General Medicine ,0104 chemical sciences ,Amino acid ,030104 developmental biology ,Fruit ,Adhesive ,Cryoultramicrotomy ,Biotechnology - Abstract
Desorption electrospray ionization-mass spectrometry imaging (DESI-MSI) is a powerful tool to analyze the distribution of metabolites in biological tissues. Cryosectioning of biological tissues is usually required prior to DESI-MSI, but it can be difficult for tissues that are fragile, hard, and have a high-water content. The Kawamoto method uses transparent adhesive films to prepare cryosections; however, its application for plant tissues, such as strawberry tissues, in DESI-MSI has not been verified. In this study, strawberry cryosections maintained original structures were prepared using adhesive film. Subsequently, numerous peaks were detected for the sections using the positive and negative ion modes of DESI-MSI. Several primary and specialized metabolites, such as amino acids, sugars, organic acids, and flavonoids, were identified and visualized. These results suggest the use of adhesive films when cryosectioning could improve DESI-MSI analysis of the metabolites in strawberry fruits and various tissues of other plant species.
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- 2021
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10. Desorption Electrospray Ionization Mass Spectrometry Imaging for Tissue Analysis
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Xiaowei Song and Hao Chen
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Desorption electrospray ionization ,chemistry.chemical_compound ,Chromatography ,Chemistry ,Metabolite ,Desorption electrospray ionization mass spectrometry ,Mass spectrometry imaging - Published
- 2020
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11. Applications of mass spectrometry imaging in the environmental sciences
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Kevin R. Tucker, Alexis N. Reinders, and Katherine A. Maloof
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Chromatography ,Health, Toxicology and Mutagenesis ,0208 environmental biotechnology ,Desorption electrospray ionization mass spectrometry ,Public Health, Environmental and Occupational Health ,02 engineering and technology ,010501 environmental sciences ,01 natural sciences ,Mass spectrometry imaging ,020801 environmental engineering ,Metabolomics ,Environmental Chemistry ,Environmental science ,Sample preparation ,Inductively coupled plasma ,Relevant information ,0105 earth and related environmental sciences - Abstract
Over the last five years, mass spectrometry imaging (MSI) has made it possible to extract spatially relevant information from numerous types of sample mediums including biofilms, biota, and environmental solids. Newer approaches to MSI including desorption electrospray ionization mass spectrometry (MS) and laser ablation inductively coupled plasma MS have been adapted to imaging, enabling less sample preparation than previous ionization methods and drastically improving the ability to analyze environmental samples. MSI has broadened its scope to accommodate for metabolomic and toxicologic data to be collected in qualitative and quantitative formats. This review dissects numerous MS techniques and newly designed methods for analyzing environmental samples to further apply MS imaging to more diverse environmental sample sets.
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- 2020
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12. Depth-Dependent Chemical Analysis of Handwriting by Nanospray Desorption Electrospray Ionization Mass Spectrometry
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Sangwon Cha and Gwangbin Lee
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Desorption electrospray ionization ,Structural Biology ,Chemistry ,Depth dependent ,Spatially resolved ,Direct sampling ,Desorption electrospray ionization mass spectrometry ,Analytical chemistry ,Sampling (statistics) ,Mass spectrometry ,Spectroscopy - Abstract
Nanospray desorption electrospray ionization (nano-DESI) has been utilized in direct sampling mass spectrometry (MS) that requires highly spatially resolved sampling with minimal sample destruction. In this study, we explored the applicability of nano-DESI MS for the forensic chemical analysis of ink directly from handwriting on paper. Nano-DESI readily ionizes dyes, including the polyanionic ones, with minimal fragmentation and produces chemical fingerprints of ballpoint pens directly from a paper surface. Further, we specifically focused on how the potential of nano-DESI that changes the mass spectral profiles over time could reflect the differential distribution of analytes in a vertical direction because mildly extracted analytes are immediately transferred and analyzed in real time. To test this, we wrote the character "X" with various combinations of two different pens and analyzed the crosspoints by nano-DESI MS. As a result, the time-course changes in the chemical fingerprints of the ink, which were consistent with the order of the pen strokes, were successfully obtained by nano-DESI MS in most cases. After confirming the capability of the depth-dependent analysis of nano-DESI MS, we analyzed a simulated forgery in which the original and forged writings were made before and after affixing a seal and clearly distinguished the two portions based on the time-dependent changes in the profile of the ink compound.
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- 2020
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13. High-Throughput Screening of Reductive Amination Reactions Using Desorption Electrospray Ionization Mass Spectrometry
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David L Logsdon, Tiago J. P. Sobreira, Yangjie Li, David H. Thompson, R. Graham Cooks, and Christina R. Ferreira
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Desorption electrospray ionization ,Chromatography ,010405 organic chemistry ,Chemistry ,High-throughput screening ,Organic Chemistry ,Desorption electrospray ionization mass spectrometry ,010402 general chemistry ,Mass spectrometry ,01 natural sciences ,Reductive amination ,0104 chemical sciences ,Organic reaction ,Physical and Theoretical Chemistry - Abstract
This study describes the latest generation of a high-throughput screening system that is capable of screening thousands of organic reactions in a single day. This system combines a liquid handling ...
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- 2020
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14. The role of surface in desorption electrospray ionization-mass spectrometry: advances and future trends
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Federica Bianchi, Maria Careri, and Monica Mattarozzi
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Electrospray ,Desorption electrospray ionization ,Materials science ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Nanotechnology ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Mass spectrometry ,01 natural sciences ,Biochemistry ,0104 chemical sciences ,Analytical Chemistry ,Ambient mass spectrometry ,Desorption ,0210 nano-technology ,Ambient ionization - Abstract
An outlook on the current status and trends in desorption electrospray ionization-mass spectrometry (DESI-MS), one of the most common spray-based techniques for ambient ionization, is given with a focus on the main advances recently achieved or still in progress regarding studies of surface properties affecting the signal stability and efficiency of the DESI process. Future directions that the field may take in the years to come are discussed, with particular focus on bioanalytical research.
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- 2020
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15. Uptake and Translocation of Perfluorooctanoic Acid (PFOA) and Perfluorooctanesulfonic Acid (PFOS) by Wetland Plants: Tissue- and Cell-Level Distribution Visualization with Desorption Electrospray Ionization Mass Spectrometry (DESI-MS) and Transmission Electron Microscopy Equipped with Energy-Dispersive Spectroscopy (TEM-EDS)
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Jian-Liang Zhao, Tuan-Tuan Wang, Qian Xiong, You-Sheng Liu, Dong-Dong Ma, Wen-Jun Shi, Jun Chen, and Guang-Guo Ying
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Fluorocarbons ,Spectrometry, Mass, Electrospray Ionization ,Perfluorooctanesulfonic acid ,Spectrum Analysis ,Electrospray ionization ,fungi ,Desorption electrospray ionization mass spectrometry ,Energy-dispersive X-ray spectroscopy ,food and beverages ,General Chemistry ,010501 environmental sciences ,Cellular level ,Mass spectrometry ,01 natural sciences ,chemistry.chemical_compound ,Alkanesulfonic Acids ,Microscopy, Electron, Transmission ,chemistry ,Transmission electron microscopy ,Wetlands ,Environmental chemistry ,Environmental Chemistry ,Perfluorooctanoic acid ,Caprylates ,0105 earth and related environmental sciences - Abstract
Perfluoroalkyl substances (PFASs) are persistent chemicals in the environment. So far, little is known about their uptake potential in wetland plants. Here, we investigated the uptake and translocation of perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) in eight common wetland plants, namely
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- 2020
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16. Late‐Stage Functionalization and Characterization of Drugs by High‐Throughput Desorption Electrospray Ionization Mass Spectrometry
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Shiqing Xu, Jyotirmoy Ghosh, Kai-Hung Huang, and R. Graham Cooks
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Spectrometry, Mass, Electrospray Ionization ,Chromatography ,Pharmaceutical Preparations ,Tandem Mass Spectrometry ,Drug discovery ,Chemistry ,Desorption electrospray ionization mass spectrometry ,Solvents ,Late stage ,Surface modification ,General Chemistry ,Throughput (business) ,Characterization (materials science) - Abstract
Late-stage functionalization (LSF) of drug molecules is an approach to generate modified molecules that retain functional groups present in the active drugs. Here, we report a study that seeks to characterize the potential value of high-throughput desorption electrospray ionization mass spectrometry (HT DESI-MS) for small-scale rapid LSF. In conventional route screening, HT-based DESI-MS provides contactless, rapid analysis, reliable and reproducible data, minimal sample requirement, and exceptional tolerance to high salt concentrations. Ezetimibe (E), an established hypertension drug, is targeted for modification by LSF. C-H alkenylation and azo-click reactions are utilized to explore this approach to synthesis and analytical characterization. The effect of choice of reactant, stoichiometry, catalyst, and solvent are studied for both reactions using high throughput DESI-MS experiments. Optimum conditions for the formation of LSF products are established with identification by tandem mass spectrometry (MS/MS).
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- 2022
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17. Inter-platform assessment of performance of high-throughput desorption electrospray ionization mass spectrometry
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Nicolás M. Morato and R. Graham Cooks
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Detection limit ,Desorption electrospray ionization ,Reproducibility ,Bioanalysis ,analytical performance ,steroid sulfates ,opioid peptides ,Materials science ,Chromatography ,QD71-142 ,Desorption electrospray ionization mass spectrometry ,compound library ,ambient ionization ,Mass spectrometry ,lipids ,Qualitative analysis ,Throughput (business) ,Analytical chemistry - Abstract
High throughput analysis is increasingly relevant in both industry and academia, with applications reaching from enzymology and drug discovery to organic reaction optimization and diagnostics. Currently, chromatography-free mass spectrometry (MS) techniques have acquired an important role in this field due to their inherent speed, versatility, and chemical specificity. Desorption electrospray ionization (DESI) MS is one of these approaches, which allows for direct analysis of complex samples in the ambient environment, with throughputs better than 1 sample per second and no need for sample treatment. Here we assess the evolution of the high throughput DESI-MS analytical performance from the early DESI source developed by Prosolia Inc. to the recently commercialized version of Waters Corporation. The evaluation was carried out through both quantitative and qualitative analysis of biologically relevant compounds including metabolites, peptides, lipids and pharmaceuticals. Our results indicate that both platforms are successful at the direct analysis of these species even from complex matrices such as bioassay buffers. However, the newest iteration of the DESI stage, when combined with a quadrupole time-of-flight (Q-ToF) instrument, provides higher sensitivity (1-3 orders of magnitude lower limits of detection) and reproducibility (ca. 10% average reduction in coefficients of variation for quantitation using an internal standard). The cases explored in this study also showcase the broad applicability of high throughput DESI-MS for bioanalysis and quality control.
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- 2021
18. Direct on-swab metabolic profiling of vaginal microbiome host interactions during pregnancy and preterm birth
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L Kindinger, Julie A. K. McDonald, Vasso Terzidou, Phillip R. Bennett, Katia Capuccini, Denise Chan, Holly V. Lewis, Anna L. David, Lynne Sykes, David A. MacIntyre, Zoltan Takats, Jane E. Norman, Paolo Inglese, Sarah J. Stock, Kate Alexander-Hardiman, Yun S. Lee, Julian Marchesi, Richard G. Brown, Pamela Pruski, Simon J S Cameron, T. G. Teoh, Ann Smith, Gonçalo D S Correia, Medical Research Council (MRC), Genesis Research Trust, Imperial College Healthcare NHS Trust- BRC Funding, Commission of the European Communities, and March of Dimes
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medicine.medical_treatment ,IONIZATION MASS-SPECTROMETRY ,Desorption electrospray ionization mass spectrometry ,General Physics and Astronomy ,Physiology ,Cervix Uteri ,Immune profiling ,Pregnancy ,Medicine ,Prospective Studies ,Cause of death ,Cerclage, Cervical ,Multidisciplinary ,Microbiota ,WOMEN ,Multidisciplinary Sciences ,BACTERIA ,Vagina ,Vaginal microbiome ,Metabolome ,Science & Technology - Other Topics ,SECRETION ,Premature Birth ,Female ,Infant, Premature ,Adult ,Spectrometry, Mass, Electrospray Ionization ,Science ,INTERLEUKIN-1-ALPHA ,Predictive markers ,Article ,General Biochemistry, Genetics and Molecular Biology ,MANNOSE-BINDING LECTIN ,Humans ,Cervical cerclage ,Science & Technology ,business.industry ,GENITAL-TRACT ,Infectious-disease diagnostics ,Infant, Newborn ,PREVENT ,General Chemistry ,Translational research ,medicine.disease ,Immunity, Innate ,Rapid assessment ,Risk factors ,AMBIENT IONIZATION ,ENDOTOXIN ,business - Abstract
The pregnancy vaginal microbiome contributes to risk of preterm birth, the primary cause of death in children under 5 years of age. Here we describe direct on-swab metabolic profiling by Desorption Electrospray Ionization Mass Spectrometry (DESI-MS) for sample preparation-free characterisation of the cervicovaginal metabolome in two independent pregnancy cohorts (VMET, n = 160; 455 swabs; VMET II, n = 205; 573 swabs). By integrating metataxonomics and immune profiling data from matched samples, we show that specific metabolome signatures can be used to robustly predict simultaneously both the composition of the vaginal microbiome and host inflammatory status. In these patients, vaginal microbiota instability and innate immune activation, as predicted using DESI-MS, associated with preterm birth, including in women receiving cervical cerclage for preterm birth prevention. These findings highlight direct on-swab metabolic profiling by DESI-MS as an innovative approach for preterm birth risk stratification through rapid assessment of vaginal microbiota-host dynamics., Here, the authors apply DESI-MS, a sample preparation-free, direct on-swab mass spectrometry analytical tool, to profile the cervicovaginal metabolome of two independent cohorts of pregnant women and, combined with matched metataxonomic and immuno-profiling data, show that DESI-MS predicts vaginal microbiota composition and local inflammatory status associated with preterm birth and clinical interventions used during pregnancy.
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- 2021
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19. Distribution visualization of the chlorinated disinfection byproduct of diazepam in zebrafish with desorption electrospray ionization mass spectrometry imaging
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Jiachen Shi, Xiaofei Jia, Bing Shao, Xiaole Zhao, Kui Zhu, Xiaoyong Huang, and Xin Zhang
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Spectrometry, Mass, Electrospray Ionization ,Chromatography ,Diazepam ,biology ,Halogenation ,Chemistry ,Desorption electrospray ionization mass spectrometry ,Large population ,Environmental pollution ,biology.organism_classification ,Analytical Chemistry ,Disinfection ,medicine ,Distribution (pharmacology) ,Animals ,Humans ,Female ,Zebrafish ,medicine.drug - Abstract
Diazepam (DZP) was routinely prescribed to a large population troubled with anxiety disorders. However, due to the overuse and misuse, DZP and its chlorination disinfection byproduct 2-methylamino-5-chlorobenzophenone (MACB) caused environmental pollution and can be detected ubiquitously in drinking water in Beijing, China. However, little information is known about the metabolic dynamics of MACB. Here, we established desorption electrospray ionization mass spectrometry (DESI-MS) imaging method to visually and quantitatively assess the distribution and metabolism of MACB in zebrafish. The results showed that MACB specifically accumulated in spinal cord particularly in female zebrafish. Meanwhile, the accumulation of MACB could pass through the blood-brain barrier (BBB) and induced microglial phagocytosis of neurons. Therefore, the intervention strategies should be explored to restrict the release of such substances, eliminating the potential risks for both human beings and the eco-environment.
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- 2021
20. Chemical Analysis and Imaging of Fingerprints by Air-flow Assisted Desorption Electrospray Ionization Mass Spectrometry
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Lingna Zheng, Hanqing Chen, Rong-Liang Ma, Meng Wang, Junwen Shi, Weiyue Feng, Bing Wang, and Haifang Wang
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Chromatography ,Chemistry ,010401 analytical chemistry ,Airflow ,Desorption electrospray ionization mass spectrometry ,High resolution ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Mass spectrometry ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Fingerprint ,0210 nano-technology - Abstract
Fingerprint analysis is of great significance in forensic sciences. Compared with existing fingerprint analytical methods, mass spectrometry-based methods can not only identify chemical components in fingerprints, but also obtain fingerprint imaging. In this study four kinds of fingerprints, including sweat, inkpad, sunscreen, and liquid foundation, were analyzed by air-flow assisted desorption electrospray ionization mass spectrometry imaging (AFADESI-MSI). AFADESI was employed with air flow of 45 L min−1, and 5 μL min−1 acetonitrile was used as spray solvent at spray voltage of 7000 V. Positive ion full scan mode (100−1000 Da) was chosen. The results showed that AFADESI-MSI method could not only obtain chemical information of various endogenous and exogenous substances in fingerprints, but also obtain high resolution images of fingerprints. In addition, overlapped fingerprints were distinguished according to the typical chemical information in fingerprints. As a new fingerprint analysis method, AFADESI-MSI would be widely used in forensic scientific research and practical applications.
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- 2019
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21. Molecular Imaging of Endometriosis Tissues using Desorption Electrospray Ionization Mass Spectrometry
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Spencer Woody, Livia S. Eberlin, Katherine R. Sebastian, Suzanne Ledet, Clara L. Feider, Michael T. Breen, and Jialing Zhang
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Adult ,Infertility ,Spectrometry, Mass, Electrospray Ionization ,Pathology ,medicine.medical_specialty ,Abdominal pain ,Stromal cell ,Desorption electrospray ionization mass spectrometry ,Endometriosis ,lcsh:Medicine ,Choristoma ,Imaging data ,Article ,Endometrium ,medicine ,Humans ,lcsh:Science ,Desorption electrospray ionization ,Multidisciplinary ,Mass spectrometry ,business.industry ,lcsh:R ,Diagnostic markers ,Middle Aged ,medicine.disease ,Molecular Imaging ,Quality of Life ,Female ,lcsh:Q ,Molecular imaging ,medicine.symptom ,business ,Biomarkers - Abstract
Endometriosis is a pathologic condition affecting approximately 10% of women in their reproductive years. Characterized by abnormal growth of uterine endometrial tissue in other body areas, endometriosis can cause severe abdominal pain and/or infertility. Despite devastating consequences to patients’ quality of life, the causes of endometriosis are not fully understood and validated diagnostic markers for endometriosis have not been identified. Molecular analyses of ectopic and eutopic endometrial tissues could lead to enhanced understanding of the disease. Here, we apply desorption electrospray ionization (DESI) mass spectrometry (MS) imaging to chemically and spatially characterize the molecular profiles of 231 eutopic and ectopic endometrial tissues from 89 endometriosis patients. DESI-MS imaging allowed clear visualization of endometrial glandular and stromal regions within tissue samples. Statistical models built from DESI-MS imaging data allowed classification of endometriosis lesions with overall accuracies of 89.4%, 98.4%, and 98.8% on training, validation, and test sample sets, respectively. Further, molecular markers that are significantly altered in ectopic endometrial tissues when compared to eutopic tissues were identified, including fatty acids and glycerophosphoserines. Our study showcases the value of MS imaging to investigate the molecular composition of endometriosis lesions and pinpoints metabolic markers that may provide new knowledge on disease pathogenesis.
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- 2019
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22. Early detection of unilateral ureteral obstruction by desorption electrospray ionization mass spectrometry
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Anny Chuu-Yun Wong, James D. Brooks, Hongjuan Zhao, Richard N. Zare, Robert Tibshirani, Bo Wu, Shibdas Banerjee, and Xin Yan
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0301 basic medicine ,In situ ,Spectrometry, Mass, Electrospray Ionization ,Pathology ,medicine.medical_specialty ,Desorption electrospray ionization mass spectrometry ,Early detection ,lcsh:Medicine ,Kidney ,urologic and male genital diseases ,Article ,03 medical and health sciences ,0302 clinical medicine ,Metabolomics ,Downregulation and upregulation ,medicine ,Animals ,lcsh:Science ,Multidisciplinary ,Chemistry ,lcsh:R ,Diagnostic markers ,Histology ,Lipid Metabolism ,Lipids ,Mice, Inbred C57BL ,Urinary tract obstruction ,Early Diagnosis ,030104 developmental biology ,Significance analysis of microarrays ,lcsh:Q ,Selection operator ,Biomarkers ,030217 neurology & neurosurgery ,Ureteral Obstruction - Abstract
Desorption electrospray ionization mass spectrometry (DESI-MS) is an emerging analytical tool for rapid in situ assessment of metabolomic profiles on tissue sections without tissue pretreatment or labeling. We applied DESI-MS to identify candidate metabolic biomarkers associated with kidney injury at the early stage. DESI-MS was performed on sections of kidneys from 80 mice over a time course following unilateral ureteral obstruction (UUO) and compared to sham controls. A predictive model of renal damage was constructed using the LASSO (least absolute shrinkage and selection operator) method. Levels of lipid and small metabolites were significantly altered and glycerophospholipids comprised a significant fraction of altered species. These changes correlate with altered expression of lipid metabolic genes, with most genes showing decreased expression. However, rapid upregulation of PG(22:6/22:6) level appeared to be a hitherto unknown feature of the metabolic shift observed in UUO. Using LASSO and SAM (significance analysis of microarrays), we identified a set of well-measured metabolites that accurately predicted UUO-induced renal damage that was detectable by 12 h after UUO, prior to apparent histological changes. Thus, DESI-MS could serve as a useful adjunct to histology in identifying renal damage and demonstrates early and broad changes in membrane associated lipids.
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- 2019
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23. Screening of the Binding of Small Molecules to Proteins by Desorption Electrospray Ionization Mass Spectrometry Combined with Protein Microarray.
- Author
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Yao, Chenxi, Wang, Tao, Zhang, Buqing, He, Dacheng, Na, Na, and Ouyang, Jin
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- *
DESORPTION electrospray ionization , *PROTEIN microarrays , *LIGAND binding (Biochemistry) , *HIGH throughput screening (Drug development) , *MASS spectrometry - Abstract
The interaction between bioactive small molecule ligands and proteins is one of the important research areas in proteomics. Herein, a simple and rapid method is established to screen small ligands that bind to proteins. We designed an agarose slide to immobilize different proteins. The protein microarrays were allowed to interact with different small ligands, and after washing, the microarrays were screened by desorption electrospray ionization mass spectrometry (DESI MS). This method can be applied to screen specific protein binding ligands and was shown for seven proteins and 34 known ligands for these proteins. In addition, a high-throughput screening was achieved, with the analysis requiring approximately 4 s for one sample spot. We then applied this method to determine the binding between the important protein matrix metalloproteinase-9 (MMP-9) and 88 small compounds. The molecular docking results confirmed the MS results, demonstrating that this method is suitable for the rapid and accurate screening of ligands binding to proteins. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2015
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- View/download PDF
24. Distribution of terfenadine and its metabolites in locusts studied by desorption electrospray ionization mass spectrometry imaging.
- Author
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Olsen, Line, Hansen, Steen, and Janfelt, Christian
- Subjects
- *
TERFENADINE , *METABOLITES , *LOCUSTS , *DESORPTION , *ELECTROSPRAY ionization mass spectrometry - Abstract
Desorption electrospray ionization (DESI) mass spectrometry (MS) imaging was used to image locusts dosed with the antihistamine drug terfenadine. The study was conducted in order to elucidate a relatively high elimination rate of terfenadine from the locust hemolymph. In this one of the few MS imaging studies on insects, a method for cryosectioning of whole locusts was developed, and the distributions of a number of endogenous compounds are reported, including betaine and a number of amino acids and phospholipids. Terfenadine was detected in the stomach region and the intestine walls, whereas three different metabolites-terfenadine acid (fexofenadine), terfenadine glucoside, and terfenadine phosphate-were detected in significantly smaller amounts and only in the unexcreted feces in the lower part of the intestine. The use of MS/MS imaging was necessary in order to detect the metabolites. With use of DESI-MS imaging, no colocalization of the drug and the metabolites was observed, suggesting a very rapid excretion of metabolites into the feces. Additional liquid chromatography-MS investigations were performed on hemolymph and feces and showed some abundance of terfenadine and the three metabolites, although at low levels, in both the hemolymph and the feces. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2015
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- View/download PDF
25. Remodeling nanoDESI Platform with Ion Mobility Spectrometry to Expand Protein Coverage in Cancerous Tissue
- Author
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Chih-Lin Chen, Ting-Hao Kuo, Hsin-Hsiang Chung, Penghsuan Huang, Cheng-Chih Hsu, and Li-En Lin
- Subjects
Spectrometry, Mass, Electrospray Ionization ,Skin Neoplasms ,Ion-mobility spectrometry ,Chemistry ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Analytical chemistry ,Proteins ,010402 general chemistry ,01 natural sciences ,0104 chemical sciences ,Molecular Imaging ,Mice ,Tissue sections ,Interference (communication) ,Structural Biology ,Neoplasms ,Ion Mobility Spectrometry ,Molecule ,Isobaric process ,Animals ,Humans ,Melanoma ,Spectroscopy ,Ambient ionization - Abstract
Nanospray desorption electrospray ionization mass spectrometry is an ambient ionization technique that is capable of mapping proteins in tissue sections. However, high-abundant molecules or isobaric interference in biological samples hampers its broad applications in probing low-abundant proteins. To address this challenge, herein we demonstrated an integrated module that coupled pneumatic-assisted nanospray desorption electrospray ionization mass spectrometry with high-field asymmetric ion mobility spectrometry. Using this module to analyze mouse brain sections, the protein coverage was significantly increased. This improvement allowed the mapping of low-abundant proteins in tissue sections with a 5 μm spatial resolution enabled by computationally assisted fusion with optical microscopic images. Moreover, the module was successfully applied to characterize melanoma in skin tissues based on the enhanced protein profiles. The results suggested that this integrating module will be potentially applied to discover novel proteins in cancers.
- Published
- 2021
26. Metabolite imaging by mass spectrometry: A new discovery tool
- Author
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Heather J. Walker
- Subjects
chemistry.chemical_compound ,Chromatography ,chemistry ,Metabolite ,Desorption electrospray ionization mass spectrometry ,Biological tissue ,Ionization mass spectrometry ,Mass spectrometry ,Mass spectrometry imaging ,Chemical labeling ,Characterization (materials science) - Abstract
Mass spectrometry imaging is a rapidly emerging, powerful technique which not only allows the analysis of molecules such as lipids or peptides but also allows the spatial distribution of those metabolites to be mapped within flat biological tissue sections. It allows both targeted and untargeted imaging of thousands of metabolites with little or no preparation of the sample and negates the need for any complex chemical labeling. This makes it particularly useful for characterization of biological samples such as plant and mammalian tissues. Mass Spectrometry Imaging (MSI) utilizes several different sample introduction techniques however this review will concentrate mainly on matrix-assisted laser desorption/ionization mass spectrometry (MALDI) along with desorption electrospray ionization mass spectrometry (DESI) as these techniques are more widely used and well characterized.
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- 2021
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27. Lipid characterization of individual porcine oocytes by dual mode DESI-MS and data fusion.
- Author
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Pirro, Valentina, Oliveri, Paolo, Ferreira, Christina Ramires, González-Serrano, Andrés Felipe, Machaty, Zoltan, and Cooks, Robert Graham
- Subjects
- *
DATA fusion (Statistics) , *LIPID analysis , *CELL metabolism , *OVUM , *SWINE , *MAMMAL reproduction , *CELL physiology - Abstract
The development of sensitive measurements to analyze individual cells is of relevance to elucidate specialized roles or metabolic functions of each cell under physiological and pathological conditions. Lipids play multiple and critical roles in cellular functions and the application of analytical methods in the lipidomics area is of increasing interest. In this work, in vitro maturation of porcine oocytes was studied. Two independent sources of chemical information (represented by mass spectra in the positive and negative ion modes) from single oocytes (immature oocytes, 24-h and 44-h in vitro matured oocytes) were acquired by using desorption electrospray ionization-mass spectrometry (DESI-MS). Low and mid-level data fusion strategies are presented with the aim of better exploring the large amount of chemical information contained in the two mass spectrometric lipid profiles. Data were explored by principal component analysis (PCA) within the two multi-block approaches to include information on free fatty acids, phospholipids, cholesterol-related molecules, di- and triacylglycerols. After data fusion, clearer differences among immature and in vitro matured porcine oocytes were observed, which provide novel information regarding lipid metabolism throughout oocyte maturation. In particular, changes in TAG composition, as well as increase in fatty acid metabolism and membrane complexity were evidenced during the in vitro maturation process. This information can assist the improvement of in vitro embryo production for porcine species. [ABSTRACT FROM AUTHOR]
- Published
- 2014
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28. Exploration of tissue distribution of ginsenoside Rg1 by LC-MS/MS and nanospray desorption electrospray ionization mass spectrometry
- Author
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Zhenwei Li, Wenlong Wei, Hao-Jv Li, De-An Guo, Jianqing Zhang, Hua Qu, Yanchao Shi, Gaole Zhang, Jiayuan Li, Yaling An, and Changliang Yao
- Subjects
Spectrometry, Mass, Electrospray Ionization ,Ginsenosides ,Clinical Biochemistry ,Desorption electrospray ionization mass spectrometry ,Pharmaceutical Science ,Mass spectrometry ,01 natural sciences ,Analytical Chemistry ,Tandem Mass Spectrometry ,Drug Discovery ,Lc ms ms ,medicine ,Animals ,Panax notoginseng ,Tissue Distribution ,Tissue distribution ,Spectroscopy ,Kidney ,Desorption electrospray ionization ,Chromatography ,biology ,010405 organic chemistry ,Chemistry ,010401 analytical chemistry ,biology.organism_classification ,Ginsenoside Rg1 ,0104 chemical sciences ,Rats ,medicine.anatomical_structure ,Chromatography, Liquid - Abstract
Ginsenoside Rg1 (Rg1) was one of the dominent active components in several Panax medicinal species as Panax notoginseng and Panaxginseng with diversified bioactivities. However, the study on tissue distribution of Rg1 remained limited and needed to be further explored for elucidation of its spatial distribution. In the present study, a LC-MS/MS combined with nanospray desorption electrospray ionization (DESI) mass spectrometry method was developed for exploration of tissue distribution of Rg1 at different time points after intravenous administration to rats. Furthermore, a MS inlet-heat method was developed to improve the imaging efficacy of Rg1 in brain tissue. The results obtained from LC-MS/MS analysis indicated that kidney possessed the highest tissue concentration, followed by liver, lung, spleen, heart and brain. Meanwhile, the elimination of Rg1 was swift within 1 h. For the spatial distribution of Rg1 by DESI-MS, Rg1 mainly accumulated in the pelvis section of kidney. Meanwhile, the imaging result of brain implied that Rg1 might be distributed in the pons and medulla oblongata region of brain at 15 min after intravenous administration. It is anticipated that the data on tissue distribution of Rg1 could provide references for further probing its efficacy and drug development.
- Published
- 2020
29. Sample preparation and instrumental methods for illicit drugs in environmental and biological samples: A review
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Ruifen Jiang, Xinyan Wu, Xinlv Chen, Gangfeng Ouyang, and Tiangang Luan
- Subjects
Sorbent ,Chromatography ,Chemistry ,Illicit Drugs ,Liquid Phase Microextraction ,Organic Chemistry ,Desorption electrospray ionization mass spectrometry ,Extraction (chemistry) ,Analytic Sample Preparation Methods ,General Medicine ,Mass spectrometry ,Biochemistry ,Mass Spectrometry ,Analytical Chemistry ,Ambient mass spectrometry ,External energy ,Sample preparation ,Environmental Pollutants ,Gas chromatography ,Solid Phase Microextraction - Abstract
Detection of illicit drugs in the environmental samples has been challenged as the consumption increases globally. Current review examines the recent developments and applications of sample preparation techniques for illicit drugs in solid, liquid, and gas samples. For solid samples, traditional sample preparation methods such as liquid-phase extraction, solid-phase extraction, and the ones with external energy including microwave-assisted, ultrasonic-assisted, and pressurized liquid extraction were commonly used. The sample preparation methods mainly applied for liquid samples were microextraction techniques including solid-phase microextraction, microextraction by packed sorbent, dispersive solid-phase extraction, dispersive liquid-liquid microextraction, hollow fiber-based liquid-phase microextraction, and so on. Capillary microextraction of volatiles and airborne particulate sampling were primarily utilized to extract illicit drugs from gas samples. Besides, the paper introduced recently developed instrumental techniques applied to detect illicit drugs. Liquid chromatograph mass spectrometry and gas chromatograph mass spectrometry were the most widely used methods for illicit drugs samples. In addition, the development of ambient mass spectrometry techniques, such as desorption electrospray ionization mass spectrometry and paper spray mass spectrometry, created potential for rapid in-situ analysis.
- Published
- 2020
30. Rapid visualized characterization of phenolic taste compounds in tea extract by high-performance thin-layer chromatography coupled to desorption electrospray ionization mass spectrometry
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Tianyang Guo, Ping Yang, Zhanxin Zhang, Huanlu Song, and Chen Tang
- Subjects
Taste ,Spectrometry, Mass, Electrospray Ionization ,Time Factors ,Desorption electrospray ionization mass spectrometry ,Hydrolyzable Tannin ,01 natural sciences ,Analytical Chemistry ,chemistry.chemical_compound ,0404 agricultural biotechnology ,Galloylglucose ,High performance thin layer chromatography ,Strictinin ,Chromatography ,Phenol ,Tea ,Chemistry ,010401 analytical chemistry ,food and beverages ,04 agricultural and veterinary sciences ,General Medicine ,Green tea ,040401 food science ,0104 chemical sciences ,Chromatography, Thin Layer ,Food Analysis ,Food Science - Abstract
Phenolic compounds are the important taste source of tea infusion. In this paper, the phenolic compounds in tea extracts were separated by high-performance thin-layer chromatography (HPTLC), and then in-situ determined by desorption electrospray ionization mass spectrometry (DESI-MS). Total 44 phenolic compounds in tea extracts were accurately confirmed by NIST library as well as reference substances. The clustering results of heat-map can better reflect the differences of phenolic compounds in different categories and subcategories of teas. Besides, the contents of hydrolyzable tannins, including galloylglucose, digalloylglucose, trigalloyglucose and strictinin, were positively correlated with the grades of green tea. The method validation and quantification results of exemplified five phenolic compounds in teas were also obtained, and LODs, LOQs and recoveries were ranging between 1.5–15.9 μg/mL, 5.1–53.1 μg/mL, and 79%–117.6%, respectively. Moreover, HPTLC-DESI-MS can save tenfold analytical time compared to HPLC-MS. Therefore, HPTLC-DESI-MS was a rapid, efficient characterization method of phenolic compounds in tea extracts.
- Published
- 2020
31. Thread-based isoelectric focusing coupled with desorption electrospray ionization mass spectrometry
- Author
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Liang Chen, Jean-Marc Cabot, Peter C. Innis, Brett Paull, Alireza Ghiasvand, and Estrella Sanz Rodriguez
- Subjects
Desorption electrospray ionization ,Chromatography ,Chemistry ,Isoelectric focusing ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,02 engineering and technology ,Thread (computing) ,021001 nanoscience & nanotechnology ,01 natural sciences ,Biochemistry ,0104 chemical sciences ,Analytical Chemistry ,Ambient mass spectrometry ,Direct exposure ,Electrochemistry ,Environmental Chemistry ,0210 nano-technology ,Spectroscopy - Abstract
The combination of a thread-based electrofluidic analytical device and desorption electrospray ionization mass-spectrometry (DESI-MS) was investigated for the separation and concentration of proteins. The combination delivered a low-cost novel approach for sample pretreatment and target focusing, with direct “on-thread” ambient mass spectrometry detection. For this purpose, a platform for thread-based isoelectric focusing (TB-IEF) was 3D-printed, optimised, and applied to the separation and focusing of three model proteins. Successful separation and focusing was achieved within 30 min. The TB-IEF device was coupled with DESI-MS by direct exposure of the focused solutes on the dried thread to the DESI source. As a proof-of-concept, a 10-fold increase in the DESI-MS response for insulin was achieved following the TB-IEF preconcentration, whilst simultaneously isolating the target solutes from their sample matrix.
- Published
- 2020
32. Rapid analytical characterization of high-throughput chemistry screens utilizing desorption electrospray ionization mass spectrometry
- Author
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Stevan W. Djuric, Philip A. Searle, Andrew Bogdan, Nari Talaty, and James W. Sawicki
- Subjects
Fluid Flow and Transfer Processes ,010405 organic chemistry ,business.industry ,Process Chemistry and Technology ,Automated data processing ,Desorption electrospray ionization mass spectrometry ,010402 general chemistry ,01 natural sciences ,Catalysis ,0104 chemical sciences ,Characterization (materials science) ,Chemical library ,High throughput chemistry ,chemistry.chemical_compound ,Sample volume ,chemistry ,Chemistry (miscellaneous) ,Chemical Engineering (miscellaneous) ,Custom software ,Process engineering ,business ,Throughput (business) - Abstract
A detailed overview of a newly developed method for the analysis and processing of chemical library screens is reported. Integration of a DESI 2D source in a pharmaceutical drug discovery setting is accomplished by utilizing this platform on multiple reaction screens sets including Buchwald and Suzuki couplings, fluorination chemistry, and monomer reactions. Custom software developed for the DESI data analysis enables automated data processing, review and favorable comparisons with UPLC results. The new method represents a 25-fold reduction in reaction screening sets analysis time over conventional state of the art UPLC/MS, with the ability to scale as reaction sets increase in size. In addition to all of the speed and throughput improvements, DESI is very efficient, requiring only 500 nL of sample volume for testing and uses only a few mL of solvent a day.
- Published
- 2019
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- View/download PDF
33. Desorption Electrospray Ionization Mass Spectrometry Imaging in Food Applications
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Vasfiye Hazal Ozyurt and Semih Ötleş
- Subjects
Chromatography ,Chemistry ,Desorption electrospray ionization mass spectrometry - Published
- 2020
- Full Text
- View/download PDF
34. Retinal disease: How to use proteomics to speed up diagnosis and metabolomics to slow down degeneration
- Author
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James B. Hurley and Jennifer R Chao
- Subjects
Retinal degeneration ,Proteomics ,Male ,Pathology ,Research paper ,genetic structures ,Proteome ,lcsh:Medicine ,Degeneration (medical) ,Disease ,Vitreous ,Oxidative Phosphorylation ,chemistry.chemical_compound ,Mice ,Tandem Mass Spectrometry ,Mice, Knockout ,Neurons ,lcsh:R5-920 ,Cell Death ,General Medicine ,Ketogenic diet ,Pedigree ,Phenotype ,Disease Progression ,Female ,lcsh:Medicine (General) ,Tomography, Optical Coherence ,Photoreceptor Cells, Vertebrate ,medicine.medical_specialty ,Cell Survival ,Biology ,General Biochemistry, Genetics and Molecular Biology ,Retina ,Metabolomics ,Retinal Diseases ,medicine ,Electroretinography ,Animals ,Humans ,ɑ-ketoglutarate ,Eye Proteins ,TCA cycle ,Desorption electrospray ionization mass spectrometry ,Cyclic Nucleotide Phosphodiesterases, Type 6 ,lcsh:R ,Liquid Biopsy ,Retinal ,medicine.disease ,eye diseases ,Metabolite supplementation ,Disease Models, Animal ,chemistry ,Retinal disease ,Dietary Supplements ,Commentary ,sense organs ,Chromatography, Liquid - Abstract
Background Neurodegenerative diseases are incurable disorders caused by progressive neuronal cell death. Retinitis pigmentosa (RP) is a blinding neurodegenerative disease that results in photoreceptor death and progresses to the loss of the entire retinal network. We previously found that proteomic analysis of the adjacent vitreous served as way to indirectly biopsy the retina and identify changes in the retinal proteome. Methods We analyzed protein expression in liquid vitreous biopsies from autosomal recessive (ar)RP patients with PDE6A mutations and arRP mice with Pde6ɑ mutations. Proteomic analysis of retina and vitreous samples identified molecular pathways affected at the onset of photoreceptor death. Based on affected molecular pathways, arRP mice were treated with a ketogenic diet or metabolites involved in fatty-acid synthesis, oxidative phosphorylation, and the tricarboxylic acid (TCA) cycle. Findings Dietary supplementation of a single metabolite, ɑ-ketoglutarate, increased docosahexaeonic acid levels, provided neuroprotection, and enhanced visual function in arRP mice. A ketogenic diet delayed photoreceptor cell loss, while vitamin B supplementation had a limited effect. Finally, desorption electrospray ionization mass spectrometry imaging (DESI-MSI) on ɑ-ketoglutarate-treated mice revealed restoration of metabolites that correlated with our proteomic findings: uridine, dihydrouridine, and thymidine (pyrimidine and purine metabolism), glutamine and glutamate (glutamine/glutamate conversion), and succinic and aconitic acid (TCA cycle). Interpretation This study demonstrates that replenishing TCA cycle metabolites via oral supplementation prolongs retinal function and provides a neuroprotective effect on the photoreceptor cells and inner retinal network. Funding NIH grants [R01EY026682, R01EY024665, R01EY025225, R01EY024698, R21AG050437, P30EY026877, 5P30EY019007, R01EY018213, F30EYE027986, T32GM007337, 5P30CA013696], NSF grant CHE-1734082.
- Published
- 2020
35. Multicenter Study Using Desorption-Electrospray-Ionization-Mass-Spectrometry Imaging for Breast-Cancer Diagnosis
- Author
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Chandandeep Nagi, Luis Otávio Sarian, Marcos N. Eberlin, Jonathan H. Young, Robert Tibshirani, Stacey A. Carter, Kyana Y. Garza, Livia S. Eberlin, Jialing Zhang, Raquel Mary Rodrigues-Peres, John Q. Lin, Geisilene R. Paiva, and Andreia M Porcari
- Subjects
0301 basic medicine ,Oncology ,Spectrometry, Mass, Electrospray Ionization ,medicine.medical_specialty ,Receptor, ErbB-2 ,Electrospray ionization ,Desorption electrospray ionization mass spectrometry ,Breast Neoplasms ,Mass spectrometry ,Article ,Analytical Chemistry ,03 medical and health sciences ,Breast cancer ,Internal medicine ,medicine ,Humans ,skin and connective tissue diseases ,neoplasms ,Chemistry ,Racial Groups ,medicine.disease ,Subtyping ,Molecular Imaging ,030104 developmental biology ,Receptors, Estrogen ,Multicenter study ,Female ,Sample collection ,Receptors, Progesterone ,Normal breast - Abstract
The histological and molecular subtypes of breast cancer demand distinct therapeutic approaches. Invasive ductal carcinoma (IDC) is subtyped according to estrogen-receptor (ER), progesterone-receptor (PR), and HER2 status, among other markers. Desorption-electrospray-ionization-mass-spectrometry imaging (DESI-MSI) is an ambient-ionization MS technique that has been previously used to diagnose IDC. Aiming to investigate the robustness of ambient-ionization MS for IDC diagnosis and subtyping over diverse patient populations and interlaboratory use, we report a multicenter study using DESI-MSI to analyze samples from 103 patients independently analyzed in the United States and Brazil. The lipid profiles of IDC and normal breast tissues were consistent across different patient races and were unrelated to country of sample collection. Similar experimental parameters used in both laboratories yielded consistent mass-spectral data in mass-to-charge ratios ( m/ z) above 700, where complex lipids are observed. Statistical classifiers built using data acquired in the United States yielded 97.6% sensitivity, 96.7% specificity, and 97.6% accuracy for cancer diagnosis. Equivalent performance was observed for the intralaboratory validation set (99.2% accuracy) and, most remarkably, for the interlaboratory validation set independently acquired in Brazil (95.3% accuracy). Separate classification models built for ER and PR statuses as well as the status of their combined hormone receptor (HR) provided predictive accuracies (89.0%), although low classification accuracies were achieved for HER2 status. Altogether, our multicenter study demonstrates that DESI-MSI is a robust and reproducible technology for rapid breast-cancer-tissue diagnosis and therefore is of value for clinical use.
- Published
- 2018
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36. Nanospray desorption electrospray ionization mass spectrometry of untreated and treated probiotic Lactobacillus reuteri cells
- Author
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Zhenquan Jia, Agbo-Oma Uwakweh, Norman H. L. Chiu, Joseph N. Mwangi, and Daniel A. Todd
- Subjects
Limosilactobacillus reuteri ,0301 basic medicine ,Spectrometry, Mass, Electrospray Ionization ,Desorption electrospray ionization mass spectrometry ,Mass spectrometry ,01 natural sciences ,Biochemistry ,Article ,Analytical Chemistry ,law.invention ,03 medical and health sciences ,Probiotic ,law ,Ionization ,Desorption ,Nanotechnology ,Ambient ionization ,Desorption electrospray ionization ,Chromatography ,biology ,Chemistry ,Probiotics ,010401 analytical chemistry ,Reproducibility of Results ,Hydrogen-Ion Concentration ,biology.organism_classification ,0104 chemical sciences ,Lactobacillus reuteri ,030104 developmental biology ,Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization ,Solvents - Abstract
Mass spectrometry has proven to be a useful technique for rapid identification of bacterial cells. Among various ionization techniques in mass spectrometry, matrix-assisted laser desorption/ionization (MALDI) has been commonly used for the identification of bacterial cells. Recently, MALDI mass spectrometry has also been utilized to distinguish cellular responses. Ambient ionization techniques do support whole bacterial cell analysis, which include desorption electrospray ionization (DESI). Nanospray DESI (nDESI) is a new variant of DESI, and its application to whole-cell mass spectrometry is limited. In this project, the use of nDESI mass spectrometry to measure probiotic Lactobacillus reuteri (LR) cells is explored. A unique and reproducible mass spectral pattern of untreated LR cells was obtained by using 50% methanol/water as nDESI solvent. The use of nDESI mass spectrometry is further extended to distinguish untreated LR cells from treated LR cells that have been exposed to low pH. These findings demonstrate the feasibility of using nDESI in whole-cell mass spectrometry. Graphical abstract ᅟ.
- Published
- 2018
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37. Automated Sampling and Imaging of Analytes Separated on Thin-Layer Chromatography Plates Using Desorption Electrospray Ionization Mass Spectrometry
- Author
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Kertesz, Vilmos [ORNL]
- Published
- 2006
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- View/download PDF
38. Characterization of Rhodamine Self-Assembled Films Using Desorption Electrospray Ionization Mass Spectrometry.
- Author
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Shi, Ruixia, Na, Na, Jiang, Fubin, and Ouyang, Jin
- Subjects
- *
RHODAMINES , *MOLECULAR self-assembly , *THIN films , *DESORPTION electrospray ionization , *MASS spectrometry , *MOLECULAR structure - Abstract
Growth process information and molecular structure identification are very important for characterization of self-assembled films. Here, we explore the possible application of desorption electrospray ionization mass spectrometry (DESI-MS) that provides the assembled information of rhodamine B (Rh B) and rhodamine 123 (Rh 123) films. With the help of lab-made DESI source, two characteristic ions [Rh B] and [Rh 123] are observed directly in the open environment. To evaluate the reliability of this technique, a comparative study of ultraviolet-visible (UV-vis) spectroscopy and our method is carried out, and the result shows good correlation. According to the signal intensity of characteristic ions, the layer-by-layer adsorption process of dyes can be monitored, and the thicknesses of multilayer films can also be comparatively determined. Combining the high sensitivity, selectivity, and speed of mass spectrometry, the selective adsorption of similar structure molecules under different pH is recognized easily from extracted ion chronograms. The variation trend of dyes signalling intensity with concentration of polyelectrolyte is studied as well, which reflects the effect of surface charge on dyes deposition. Additionally, the desorption area, surface morphology, and thicknesses of multilayer films are investigated using fluorescence microscope, scanning electron microscope (SEM), and atomic force microscopy (AFM), respectively. Because the desorption area was approximately as small as 2 mm, the distribution situation of organic dyes in an arbitrary position could be gained rapidly, which means DESI-MS has advantages on in situ analysis. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2013
- Full Text
- View/download PDF
39. Thread-based isotachophoresis coupled with desorption electrospray ionization mass spectrometry for clean-up, preconcentration, and determination of alkaloids in biological fluids.
- Author
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Chen, Liang, Ghiasvand, Alireza, Lam, Shing Chung, Rodriguez, Estrella Sanz, Innis, Peter C., and Paull, Brett
- Subjects
- *
CHEMICAL preconcentration , *DESORPTION ionization mass spectrometry , *ELECTROSPRAY ionization mass spectrometry , *ISOTACHOPHORESIS , *SIGNAL-to-noise ratio , *MASS spectrometry , *COMPLEX matrices - Abstract
A thread-based isotachophoresis method coupled with desorption electrospray ionization mass spectrometry (TB-ITP-DESI-MS) was developed and applied for clean-up, preconcentration, and determination of alkaloids in biological fluids. This simple approach enables the focusing and rapid analysis of analytes of interest in complex matrices that are otherwise challenging using direct ambient mass spectrometry. The TB-ITP platform components were rapidly and reproducibly fabricated at low-cost using 3D printing. A single string of nylon 6 thread was used as the electrophoresis substrate and a cotton knot, tied to the nylon thread, was used as the trapping zone of the ITP focused model analytes (coptisine, berberine and palmatine). The trapping efficiency was evaluated upon different commercially available threads with different chemical properties and cotton was selected as the best material due to its highest trapping efficiency and subsequent DESI-MS ionization efficiency. Up to 11.6-fold increase in signal to noise ratio (S/N) was obtained using the proposed method compared to direct DESI-MS detection, due to the reduced matrix interference and focusing. The results demonstrated that the TB-ITP-DESI-MS approach is a viable solution for the analysis of complicated biological fluid samples. [Display omitted] • Thread-based isotachophoresis applied to concentrate target small molecules. • Concentrated solute bands quantitatively trapped upon cotton knot applied to thread. • Knot used as substrate for ambient mass spectrometry detection. • Method applied to alkaloids in biological fluids (urine). [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
40. A Focus Honoring R. Graham Cooks’ Election to the National Academy of Sciences
- Author
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Gross, Michael L.
- Published
- 2017
- Full Text
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41. In Situ Probing Citrullinated Sites in a Peptide by Reactive Desorption Electrospray Ionization Mass Spectrometry
- Author
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Sangwon Cha and Eunbi Shin
- Subjects
chemistry.chemical_classification ,In situ ,Desorption electrospray ionization ,Chromatography ,Chemistry ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Citrullination ,Peptide ,General Chemistry ,010402 general chemistry ,Mass spectrometry ,01 natural sciences ,0104 chemical sciences - Published
- 2017
- Full Text
- View/download PDF
42. Personal Information from Latent Fingerprints Using Desorption Electrospray Ionization Mass Spectrometry and Machine Learning
- Author
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Richard N. Zare and Zhenpeng Zhou
- Subjects
Electrospray ,business.industry ,Chemistry ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Feature selection ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Tandem mass spectrometry ,Mass spectrometry ,Machine learning ,computer.software_genre ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Glass slide ,Gradient boosting ,Artificial intelligence ,0210 nano-technology ,business ,computer - Abstract
Desorption electrospray ionization-mass spectrometry imaging (DESI-MSI) was applied to latent fingerprints to obtain not only spatial patterns but also chemical maps. Samples with similar lipid compositions as those of the fingerprints were collected by swiping a glass slide across the forehead of consenting adults. A machine learning model called gradient boosting tree ensemble (GDBT) was applied to the samples that allowed us to distinguish between different genders, ethnicities, and ages (within 10 years). The results from 194 samples showed accuracies of 89.2%, 82.4%, and 84.3%, respectively. Specific chemical species that were determined by the feature selection of GDBT were identified by tandem mass spectrometry. As a proof-of-concept, the machine learning model trained on the sample data was applied to overlaid latent fingerprints from different individuals, giving accurate gender and ethnicity information from those fingerprints. The results suggest that DESI-MSI imaging of fingerprints with GDBT analysis might offer a significant advance in forensic science.
- Published
- 2017
- Full Text
- View/download PDF
43. Method development towards qualitative and semi-quantitative analysis of multiple pesticides from food surfaces and extracts by desorption electrospray ionization mass spectrometry as a preselective tool for food control
- Author
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Sabine Schulz, Gerold Stern, Stefanie Gerbig, Bernhard Spengler, Hubertus E. Brunn, and Rolf-Alexander Düring
- Subjects
Spectrometry, Mass, Electrospray Ionization ,Residue (complex analysis) ,Chromatography ,Chemistry ,Calibration curve ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Food Contamination ,02 engineering and technology ,Reference Standards ,Pesticide ,021001 nanoscience & nanotechnology ,01 natural sciences ,Biochemistry ,Method development ,0104 chemical sciences ,Analytical Chemistry ,Qualitative analysis ,Environmental chemistry ,Pesticides ,0210 nano-technology ,Semi quantitative ,Food contaminant - Abstract
Direct analysis of fruit and vegetable surfaces is an important tool for in situ detection of food contaminants such as pesticides. We tested three different ways to prepare samples for the qualitative desorption electrospray ionization mass spectrometry (DESI-MS) analysis of 32 pesticides found on nine authentic fruits collected from food control. Best recovery rates for topically applied pesticides (88%) were found by analyzing the surface of a glass slide which had been rubbed against the surface of the food. Pesticide concentration in all samples was at or below the maximum residue level allowed. In addition to the high sensitivity of the method for qualitative analysis, quantitative or, at least, semi-quantitative information is needed in food control. We developed a DESI-MS method for the simultaneous determination of linear calibration curves of multiple pesticides of the same chemical class using normalization to one internal standard (ISTD). The method was first optimized for food extracts and subsequently evaluated for the quantification of pesticides in three authentic food extracts. Next, pesticides and the ISTD were applied directly onto food surfaces, and the corresponding calibration curves were obtained. The determination of linear calibration curves was still feasible, as demonstrated for three different food surfaces. This proof-of-principle method was used to simultaneously quantify two pesticides on an authentic sample, showing that the method developed could serve as a fast and simple preselective tool for disclosure of pesticide regulation violations. Graphical Abstract Multiple pesticide residues were detected and quantified in-situ from an authentic set of food items and extracts in a proof of principle study.
- Published
- 2016
- Full Text
- View/download PDF
44. An Assessment of the Utility of Tissue Smears in Rapid Cancer Profiling with Desorption Electrospray Ionization Mass Spectrometry (DESI-MS)
- Author
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Howard J. Ginsberg, Michael Woolman, Arash Zarrine-Afsar, Delaram Dara, Emma Bluemke, and Alessandra Tata
- Subjects
0301 basic medicine ,Spectrometry, Mass, Electrospray Ionization ,Coefficient of variation ,Desorption electrospray ionization mass spectrometry ,Analytical chemistry ,Triple Negative Breast Neoplasms ,Mice, SCID ,01 natural sciences ,Mass spectrometry imaging ,03 medical and health sciences ,Structural Biology ,Cell Line, Tumor ,Biomarkers, Tumor ,Animals ,Humans ,Breast ,Spectroscopy ,Detection limit ,Principal Component Analysis ,Reproducibility ,Chromatography ,Chemistry ,010401 analytical chemistry ,Reproducibility of Results ,0104 chemical sciences ,030104 developmental biology ,Tissue sections ,Female ,Cancer biomarkers ,Ex vivo - Abstract
Mass spectrometry imaging with desorption electrospray ionization mass spectrometry (DESI-MS) is used to characterize cancer from ex vivo slices of tissues. The process is time-consuming. The use of tissue smears for DESI-MS analysis has been proposed as it eliminates the time required to snap-freeze and section the tissue. To assess the utility of tissue smears for rapid cancer characterization, principal component analysis (PCA) was performed to evaluate the concordance between DESI-MS profiles of breast cancer from tissue slices and smears prepared on various surfaces. PCA suggested no statistical discrimination between DESI-MS profiles of tissue sections and tissue smears prepared on glass, polytetrafluoroethylene (PTFE), and porous PTFE. However, the abundances of cancer biomarker ions varied between sections and smears, with DESI-MS analysis of tissue sections yielding higher ion abundances of cancer biomarkers compared with smears. Coefficient of variance (CV) analysis suggests DESI-MS profiles from tissue smears are as reproducible as the ones from tissue sections. The limit of detection with smear samples from single pixel analysis is comparable to tissue sections that average the signal from a tissue area of 0.01 mm2. The smears prepared on the PTFE surface possessed a higher degree of homogeneity compared with the smears prepared on the glass surface. This allowed single MS scans (~1 s) from random positions across the surface of the smear to be used in rapid cancer typing with good reproducibility, providing pathologic information for cancer typing at speeds suitable for clinical utility.
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- 2016
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45. Electrospun Nanofiber Mats as 'Smart Surfaces' for Desorption Electrospray Ionization Mass Spectrometry (DESI MS)-Based Analysis and Imprint Imaging
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Thalappil Pradeep, R. G. Hemalatha, and Mohd Azhardin Ganayee
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Fungal growth ,Chemistry ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Nanotechnology ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Tandem mass spectrometry ,01 natural sciences ,Smart surfaces ,Electrospinning ,0104 chemical sciences ,Analytical Chemistry ,Molecular analysis ,Electrospun nanofibers ,Nanofiber ,0210 nano-technology - Abstract
In this paper, desorption electrospray ionization mass spectrometry (DESI MS)-based molecular analysis and imprint imaging using electrospun nylon-6 nanofiber mats are demonstrated for various analytical contexts. Uniform mats of varying thicknesses composed of ∼200 nm diameter fibers were prepared using needleless electrospinning. Analytical applications requiring rapid understanding of the analytes in single drops, dyes, inks, and/or plant extracts incorporated directly into the nanofibers are discussed with illustrations. The possibility to imprint patterns made of printing inks, plant parts (such as petals, leaves, and slices of rhizomes), and fungal growth on fruits with their faithful reproductions on the nanofiber mats is illustrated with suitable examples. Metabolites were identified by tandem mass spectrometry data available in the literature and in databases. The results highlight the significance of electrospun nanofiber mats as smart surfaces to capture diverse classes of compounds for rapid detection or to imprint imaging under ambient conditions. Large surface area, appropriate chemical functionalities exposed, and easiness of desorption due to weaker interactions of the analyte species are the specific advantages of nanofibers for this application.
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- 2016
- Full Text
- View/download PDF
46. Biological Desorption Electrospray Ionization Mass Spectrometry (DESI MS) – unequivocal role of crucial ionization factors, solvent system and substrates
- Author
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Zakayo Kazibwe, Muthu Manikandan, Judy Gopal, Nazim Hasan, Sechul Chun, Anbarasu Deenadayalan, and Thalappil Pradeep
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Solvent system ,Chromatography ,Chemistry ,Ionization ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,010402 general chemistry ,Molecular imprinting ,01 natural sciences ,Spectroscopy ,Biological materials ,0104 chemical sciences ,Analytical Chemistry - Abstract
DESI MS, has been successfully employed for the analysis of molecules from a wide variety of surfaces without prior sample treatment. The efficiency of DESI MS relies on various parameters. However, those that critically affect the ionization of biological samples include: the solvent system and the sample or sample spotting surfaces. These parameters gain unequivocal dominance specially whilst dealing with sensitive and intricate biological samples. This review is meant to capture the attention of the DESI-MS researchers towards the crucial role of the solvent and sample spotting surfaces for successful biological DESI-MS. This review highlights these parameters as the backbone of the breakthroughs achieved in the analysis of biological materials of plant, bacterial, animal and human origins.
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- 2016
- Full Text
- View/download PDF
47. Merits of online electrochemistry liquid sample desorption electrospray ionization mass spectrometry (EC/LS DESI MS)
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Anna Brajter-Toth, Laura Chamand, Wen Donq Looi, and Blake Brown
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Aqueous solution ,Chemistry ,Electrospray ionization ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,Analytical chemistry ,Electrolyte ,010402 general chemistry ,Mass spectrometry ,Electrochemistry ,01 natural sciences ,Biochemistry ,0104 chemical sciences ,Analytical Chemistry ,Ion ,Ionization - Abstract
A new online electrochemistry/liquid sample desorption electrospray ionization mass spectrometry (EC/LS DESI MS) system with a simple electrochemical thin-layer flow-through cell was developed and tested using N,N-dimethyl-p-phenylenediamine (DMPA) as a model probe. Although oxidation of DMPA is observed as a result of ionization of LS in positive ion mode LS DESI, application of voltage to the online electrochemical (EC) cell in EC/LS DESI MS increases yields of oxidation products. An advantage of LS DESI MS is its sensitivity in aqueous electrolyte solutions, which improves efficiency of electrochemical reactions in EC/LS DESI MS. In highly conductive low pH aqueous buffer solutions, oxidation efficiency is close to 100%. EC/ESI MS typically requires mixed aqueous/organic solvents and low electrolyte concentrations for efficient ionization in MS, limiting efficiency of electrochemistry online with MS. Independently, the results verify higher electrochemical oxidation efficiency during positive mode ESI than during LS DESI.
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- 2016
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48. Distribution of major toxins in Rhinella marina parotoid macroglands using Desorption-Electrospray-Ionization mass spectrometry imaging (DESI-MSI)
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Pedro Luiz Mailho-Fontana, Juliana Mozer Sciani, Andreia M Porcari, Marcos N. Eberlin, Marta M. Antoniazzi, Daniel C. Pimenta, and Carlos Jared
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Amphibian ,Rhinella marina ,integumentary system ,biology ,Chemistry ,Desorption electrospray ionization mass spectrometry ,Toad ,Parotoid ,Toxicology ,Imaging ,Alkaloids ,Characteristic distribution ,Biochemistry ,lcsh:RA1190-1270 ,biology.animal ,Skin surface ,Steroids ,DESI-MSI ,lcsh:Toxicology. Poisons - Abstract
Amphibian cutaneous glands secrete toxins used in different vital functions including passive defense. Through Desorption Electrospray Ionization-Imaging we analyzed the distribution of the major toxins of the toad Rhinella marina parotoid macroglands. Alkaloids and steroids showed characteristic distribution and intensity within the glands and were also present at lower levels on the skin surface. A comprehensive overview of toxins distribution in toads’ skin might help to understand their full biological role within the amphibians.
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- 2020
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49. Use of whole-body cryosectioning and desorption electrospray ionization mass spectrometry imaging to visualize alkaloid distribution in poison frogs
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Ralph A. Saporito, Taran Grant, Demian R. Ifa, Keisuke Nishikawa, Adriana M. Jeckel, Yoshiki Morimoto, and Kunihiro Matsumura
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Spectrometry, Mass, Electrospray Ionization ,Chromatography ,biology ,010405 organic chemistry ,Chemistry ,Dendrobates ,Alkaloid ,010401 analytical chemistry ,Desorption electrospray ionization mass spectrometry ,biology.organism_classification ,01 natural sciences ,Histochemical staining ,0104 chemical sciences ,Ambient mass spectrometry ,Alkaloids ,Amphibian Venoms ,Animals ,Tissue Distribution ,Whole Body Imaging ,heterocyclic compounds ,Anura ,Whole body ,Cryoultramicrotomy ,Spectroscopy - Abstract
Ambient mass spectrometry is useful for analyzing compounds that would be affected by other chemical procedures. Poison frogs are known to sequester alkaloids from their diet, but the sequestration pathway is unknown. Here, we describe methods for whole-body cryosectioning of frogs and use desorption electrospray ionization mass spectrometry imaging (DESI-MSI) to map the orally administered alkaloid histrionicotoxin 235A in a whole-body section of the poison frog Dendrobates tinctorius. Our results show that whole-body cryosectioning coupled with histochemical staining and DESI-MSI is an effective technique to visualize alkaloid distribution and help elucidate the mechanisms involved in alkaloid sequestration in poison frogs.
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- 2020
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50. Classification of condom lubricants in cyanoacrylate treated fingerprints by desorption electrospray ionization mass spectrometry
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Marcel de Puit, Roos Kniest, Mark P.V. Begieneman, Ward van Helmond, and Lectoraat Forensisch Onderzoek
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Male ,Spectrometry, Mass, Electrospray Ionization ,Materials science ,Polyethylene glycol ,Linear discriminant analysis ,Desorption electrospray ionization mass spectrometry ,Principal component analysis ,01 natural sciences ,Mass spectrometry imaging ,Pathology and Forensic Medicine ,law.invention ,Condoms ,03 medical and health sciences ,chemistry.chemical_compound ,0302 clinical medicine ,Condom ,law ,Fingerprint ,Humans ,Cyanoacrylates ,030216 legal & forensic medicine ,Dermatoglyphics ,Lubricant ,Mass Spectrometry Imaging ,Lubricants ,Sexual assault ,Chromatography ,Polydimethylsiloxane ,Forensic Sciences ,010401 analytical chemistry ,Discriminant Analysis ,0104 chemical sciences ,chemistry ,Cyanoacrylate ,Female ,Law ,DESI-MSI - Abstract
Traces of condom lubricants in fingerprints can be valuable information in cases of sexual assault. Ideally, not only confirmation of the presence of the condom but also determination of the type of condom brand used can be retrieved. Previous studies have shown to be able to retrieve information about the condom brand and type from fingerprints containing lubricants using various analytical techniques. However, in practice fingerprints often appear latent and need to be detected first, which is often achieved by cyanoacrylate fuming. In this study, we developed a desorption electrospray ionization mass spectrometry (DESI-MS) method which, combined with principal component analysis and linear discriminant analysis (PCA-LDA), allows for high accuracy classification of condom brands and types from fingerprints containing condom lubricant traces. The developed method is compatible with cyanoacrylate (CA) fuming. We collected and analyzed a representative dataset for the Netherlands comprising 32 different condoms. Distinctive lubricant components such as polyethylene glycol (PEG), polydimethylsiloxane (PDMS), octoxynol-9 and nonoxynol-9 were readily detected using the DESI-MS method. Based on the analysis of lubricant spots, a 99.0% classification accuracy was achieved. When analyzing lubricant containing fingerprints, an overall accuracy of 90.9% was obtained. Full chemical images could be generated from fingerprints, showing the distribution of lubricant components such as PEG and PDMS throughout the fingerprint, while still allowing for classification. The developed method shows potential for the development of DESI-MS based analyses of CA treated exogenous compounds from fingerprints for use in forensic science.
- Published
- 2019
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