Mass spectrometry最新文献_第3页

A Study of the Deisotope Method for Mass Spectra of Complex Synthetic Polymer Mixtures Consisting of Multiple Repeating Units. 由多个重复单元组成的复杂合成聚合物混合物质谱的同位素法研究。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-12-17 DOI: 10.5702/massspectrometry.A0165

Toshiji Kudo, Shiori Yuge

引用次数: 0

Combination of Probe Electrospray Ionization Mass Spectrometry and Mass Spectrometry Imaging to Analyze Plant Alkaloids in Narcissus tazetta. 探针电喷雾电离质谱与质谱成像联合分析水仙中植物生物碱。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-12-10 DOI: 10.5702/massspectrometry.A0163

Kaoru Nakagawa, Tetsuo Iida, Manami Kobayashi, Shuichi Shimma

{"title":"Combination of Probe Electrospray Ionization Mass Spectrometry and Mass Spectrometry Imaging to Analyze Plant Alkaloids in Narcissus tazetta.","authors":"Kaoru Nakagawa, Tetsuo Iida, Manami Kobayashi, Shuichi Shimma","doi":"10.5702/massspectrometry.A0163","DOIUrl":"10.5702/massspectrometry.A0163","url":null,"abstract":"Plant alkaloids are used in a variety of medicines, such as anti-cancer drugs and analgesics. Among these plant alkaloids, galanthamine is an Amaryllidaceae type alkaloid with acetylcholinesterase inhibition activity used in the treatment of neurological diseases such as Alzheimer's disease. Although the chemical synthesis of galanthamine has been successfully achieved, Narcissus tazetta is the main source of its production. Research shows that the galanthamine content varies not only with the type of daffodil but also with the stage of development and the part of the plant. Pharmaceutical companies seek plant species with higher galanthamine content to increase pharmaceutical availability. In this study, we were able to rapidly confirm the presence of alkaloids, such as galanthamine, lycorine, and tazettine in the N. tazetta sample using the probe electrospray ionization coupled with quadrupole time-of-flight type mass spectrometry. After confirmation of the components, we then visualized the distribution of the alkaloids by mass spectrometry imaging using the atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometer. In our method, we can provide qualitative data and visualized data immediately.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0163"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11646974/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142837231","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Atmospheric Pressure Mass Spectrometry Imaging Using Electrospray-Assisted Laser Desorption/Ionization with Gas Transportation through a Heated Tube and Minimal Sample Preparation. 大气压质谱成像使用电喷雾辅助激光解吸/电离气体通过加热管输送和最小样品制备。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-12-29 DOI: 10.5702/massspectrometry.A0167

Riku Hirotani, Yuto Miyoshi, Varun Sendilraj, Hisanao Hazama

{"title":"Atmospheric Pressure Mass Spectrometry Imaging Using Electrospray-Assisted Laser Desorption/Ionization with Gas Transportation through a Heated Tube and Minimal Sample Preparation.","authors":"Riku Hirotani, Yuto Miyoshi, Varun Sendilraj, Hisanao Hazama","doi":"10.5702/massspectrometry.A0167","DOIUrl":"https://doi.org/10.5702/massspectrometry.A0167","url":null,"abstract":"Mass spectrometry (MS) is a valuable tool that enables label-free analysis and the ability to measure multiple molecules. The atmospheric pressure MS imaging (MSI) method usually requires tedious sample preparation. A simple ionization method with minimal sample preparation is needed for high-throughput analysis. We have developed an ion source that does not require sample preparation such as thinning, curing, planarization, or addition of matrix by the electrospray-assisted laser desorption/ionization with gas transportation (ELDI-GT). The sample is transported with nitrogen gas through a heated tube to the electrospray. The ion signal of protonated caffeine was measured under different transport conditions. The ion signal intensity was found to increase 11-fold by changing the flow rate and tube temperature from 2.8 cm3/s and 473 K to 25 cm3/s and 673 K. ELDI-GT was able to visualize the localization of caffeine crystals at a pixel size of 50 µm using MSI because of the effective GT using the heated tube. The dependence of the ion signal intensity was discussed on the amount of heat applied to the sample in the heated tube. ELDI-GT allowed accurate localization of caffeine at a pixel size of 50 µm without the need to apply thinning and matrix to a sample.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0167"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11703791/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142950993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Analysis of the Correlation between Cholesterol Levels in Blood Using Clinical Data and Hair Using Mass Spectrometry Imaging. 利用临床数据分析血液中胆固醇水平与利用质谱成像分析头发中胆固醇水平之间的相关性。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-07-24 DOI: 10.5702/massspectrometry.A0149

Erika Nagano, Hiromi Saito, Tetsuya Mannari, Munekazu Kuge, Kazuki Odake, Shuichi Shimma

{"title":"Analysis of the Correlation between Cholesterol Levels in Blood Using Clinical Data and Hair Using Mass Spectrometry Imaging.","authors":"Erika Nagano, Hiromi Saito, Tetsuya Mannari, Munekazu Kuge, Kazuki Odake, Shuichi Shimma","doi":"10.5702/massspectrometry.A0149","DOIUrl":"10.5702/massspectrometry.A0149","url":null,"abstract":"Mass spectrometry imaging (MSI) is a technique that visualizes the distribution of molecules by ionizing the components on the surface of a sample and directly detecting them. Previously, MSI using hair has primarily been used in the forensic field to detect illegal drugs. On the other hand, there are few examples of using this technology for health monitoring. In this study, hair and clinical data were collected from 24 subjects, and the correlation between blood cholesterol levels and cholesterol detected from cross-sectional hair slices was analyzed. As a result, a positive correlation with a correlation coefficient of 0.43 was observed between blood cholesterol and cholesterol detected from hair. Furthermore, when comparing the results of fluorescence staining (FS) of hair cholesterol with Filipin III and the MSI results, it was found that while FS could visualize detailed hair structures, there were cases where the results differed from MSI, possibly due to some cholesterol loss during the staining process. In the future, if various disease biomarkers can be detected using hair MSI, it could potentially become a non-invasive diagnostic method.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0149"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11284271/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141794503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ambient Mass Spectrometry and Machine Learning-Based Diagnosis System for Acute Coronary Syndrome. 基于环境质谱和机器学习的急性冠状动脉综合征诊断系统。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-07-11 DOI: 10.5702/massspectrometry.A0147

Que N N Tran, Takeshi Moriguchi, Masateru Ueno, Tomohiko Iwano, Kentaro Yoshimura

{"title":"Ambient Mass Spectrometry and Machine Learning-Based Diagnosis System for Acute Coronary Syndrome.","authors":"Que N N Tran, Takeshi Moriguchi, Masateru Ueno, Tomohiko Iwano, Kentaro Yoshimura","doi":"10.5702/massspectrometry.A0147","DOIUrl":"10.5702/massspectrometry.A0147","url":null,"abstract":"Aims: The purpose of this study is to establish a novel diagnosis system in early acute coronary syndrome (ACS) using probe electrospray ionization-mass spectrometry (PESI-MS) and machine learning (ML) and to validate the diagnostic accuracy. Methods: A total of 32 serum samples derived from 16 ACS patients and 16 control patients were analyzed by PESI-MS. The acquired mass spectrum dataset was subsequently analyzed by partial least squares (PLS) regression to find the relationship between the two groups. A support vector machine, an ML method, was applied to the dataset to construct the diagnostic algorithm. Results: Control and ACS groups were separated into the two clusters in the PLS plot, indicating ACS patients differed from the control in the profile of serum composition obtained by PESI-MS. The sensitivity, specificity, and accuracy of our diagnostic system were all 93.8%, and the area under the receiver operating characteristic curve showed 0.965 (95% CI: 0.84-1). Conclusion: The PESI-MS and ML-based diagnosis system are likely an optimal solution to assist physicians in ACS diagnosis with its remarkably predictive accuracy.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0147"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11239961/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141616766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of a Mass Spectrometry Imaging Method to Evaluate the Penetration of Moisturizing Components Coated on Surgical Gloves into Artificial Membranes. 开发一种质谱成像方法，用于评估涂在手术手套上的保湿成分对人造膜的渗透。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-03-26 DOI: 10.5702/massspectrometry.A0145

Erika Nagano, Kazuki Odake, Toru Akiyoshi, Shuichi Shimma

{"title":"Development of a Mass Spectrometry Imaging Method to Evaluate the Penetration of Moisturizing Components Coated on Surgical Gloves into Artificial Membranes.","authors":"Erika Nagano, Kazuki Odake, Toru Akiyoshi, Shuichi Shimma","doi":"10.5702/massspectrometry.A0145","DOIUrl":"10.5702/massspectrometry.A0145","url":null,"abstract":"Skin dryness and irritant contact dermatitis induced by the prolonged use of surgical gloves are issues faced by physicians. To address these concerns, manufacturers have introduced surgical gloves that incorporate a moisturizing component on their inner surface, resulting in documented results showing a reduction in hand dermatitis. However, the spatial distribution of moisturizers applied to surgical gloves within the integument remains unclear. Using matrix-assisted laser desorption/ionization (MALDI)-mass spectrometry imaging (MSI), we investigated the spatial distribution of moisturizers in surgical gloves within artificial membranes. Recently, dermal permeation assessments using three-dimensional models, silicone membranes, and Strat-M have gained attention as alternative approaches to animal testing. Therefore, in this study, we established an in vitro dermal permeation assessment of commercially available moisturizers in surgical gloves using artificial membranes. In this study, we offer a methodology to visualize the infiltration of moisturizers applied to surgical gloves into an artificial membrane using MALDI-MSI, while evaluating commercially available moisturizer-coated surgical gloves. Using our penetration evaluation method, we confirmed the infiltration of the moisturizers into the polyethersulfone 2 and polyolefin layers, which correspond to the epidermis and dermis of the skin, after the use of surgical gloves. The MSI-based method presented herein demonstrated the efficacy of evaluating the permeation of samples containing active ingredients.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0145"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10990723/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140863461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Desorption of Positive and Negative Ions from Areoles of Opuntia microdasys Cactus at Atmospheric Pressure: Cactus-MS. 在大气压力下从 Opuntia microdasys 仙人掌小窠中解吸正离子和负离子：Cactus-MS.

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-06-12 DOI: 10.5702/massspectrometry.A0146

Jürgen H Gross

{"title":"Desorption of Positive and Negative Ions from Areoles of Opuntia microdasys Cactus at Atmospheric Pressure: Cactus-MS.","authors":"Jürgen H Gross","doi":"10.5702/massspectrometry.A0146","DOIUrl":"10.5702/massspectrometry.A0146","url":null,"abstract":"The areoles and spines of cacti can be used to desorb ions of ionic liquids (ILs) by the mere action of an electric field into the atmospheric pressure (AP) interface of a mass spectrometer. The small cactus species Opuntia microdasys bears numerous very fine hairs on its areoles and tiny sharp spines that appeared suited to serve as needle electrodes sharp enough for field desorption of ions to occur. In fact, positive and negative ions of four ILs could be desorbed by a process analogous to AP field desorption (APFD). In contrast to APFD where activated field emitters are employed, the ILs were deposited onto one or two adjacent areoles by applying 1-3 µL of a dilute solution in methanol. After evaporation of the solvent, the cactus was positioned next to the spray shield electrode of a trapped ion mobility-quadrupole-time-of-flight instrument. Desorption of IL cations and IL anions, respectively, did occur as soon as the electrode was set to potentials in the order of ±4.5 kV, while the cactus at ground potential was manually positioned in front of the entrance electrode to bring the areole covered with a film of the sample into the right position. Neither did mixing of ILs occur between neighboring areoles nor did the cactus suffer any damage upon its use as a botanical field emitter.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0146"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11180989/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141419783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Data Processing of Product Ion Spectra: Methods to Control False Discovery Rate in Compound Search Results for Untargeted Metabolomics. 产物离子谱数据处理：控制非目标代谢组学化合物搜索结果错误发现率的方法。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-11-12 DOI: 10.5702/massspectrometry.A0155

Fumio Matsuda

{"title":"Data Processing of Product Ion Spectra: Methods to Control False Discovery Rate in Compound Search Results for Untargeted Metabolomics.","authors":"Fumio Matsuda","doi":"10.5702/massspectrometry.A0155","DOIUrl":"10.5702/massspectrometry.A0155","url":null,"abstract":"Several database search methods have been employed in untargeted metabolomics utilizing high-resolution mass spectrometry to comprehensively annotate acquired product ion spectra. Recent technical advancements in in silico analyses have facilitated the sorting of the degree of coincidence between a query product ion spectrum, and the molecular structures in the database. However, certain search results may be false positives, necessitating a method for controlling the false discovery rate (FDR). This study proposes 4 simple methods for controlling the FDR in compound search results. Instead of preparing a decoy compound database, a decoy spectral dataset was created from the measured product-ion spectral dataset (target). Target and decoy product ion spectra were searched against an identical compound database to obtain target and decoy hits. FDR was estimated based on the number of target and decoy hits. In this study, 3 decoy generation methods, polarity switching, mirroring, and spectral sampling, were compared. Additionally, the second-rank method was examined using second-ranked hits in the target search results as decoy hits. The performances of these 4 methods were evaluated by annotating product ion spectra from the MassBank database using the SIRIUS 5 CSI:FingerID scoring method. The results indicate that the FDRs estimated using the second-rank method were the closest to the true FDR of 0.05. Using this method, a compound search was performed on 4 human metabolomic data-dependent acquisition datasets with an FDR of 0.05. The FDR-controlled compound search successfully identified several compounds not present in the Human Metabolome Database.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0155"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11565486/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142648619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantitation of Host Cell Proteins by Capillary LC/IMS/MS/MS in Combination with Rapid Digestion on Immobilized Trypsin Column Under Native Conditions. 在原生条件下通过毛细管液相色谱/质谱/质谱联用固定化胰蛋白酶柱快速消化法定量宿主细胞蛋白质

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-09-14 DOI: 10.5702/massspectrometry.A0152

Ryota Tomioka, Kosuke Ogata, Yasushi Ishihama

{"title":"Quantitation of Host Cell Proteins by Capillary LC/IMS/MS/MS in Combination with Rapid Digestion on Immobilized Trypsin Column Under Native Conditions.","authors":"Ryota Tomioka, Kosuke Ogata, Yasushi Ishihama","doi":"10.5702/massspectrometry.A0152","DOIUrl":"https://doi.org/10.5702/massspectrometry.A0152","url":null,"abstract":"Host cell protein (HCP) impurities are considered a critical quality attribute of biopharmaceuticals because of their potential to compromise safety and efficacy, and LC/MS-based analytical methods have been developed to identify and quantify individual proteins instead of employing enzyme-linked immunosorbent assay to assess total HCP levels. Native digestion enables highly sensitive detection of HCPs but requires overnight incubation to generate peptides, limiting the throughput of sample preparation. In this study, we developed an approach employing native digestion on a trypsin-immobilized column to improve the sensitivity and throughput. We examined suitable databases for the identification of HCPs derived from Chinese hamster ovary (CHO) cells and selected RefSeq's Chinese Hamster as the optimal database. Then, we investigated methods to identify HCPs with greater efficiency than that of denatured in-solution digestion. Native in-column digestion not only reduced the digestion time from overnight to 10 min but also increased the number of quantified HCPs from 154 to 226. In addition to this rapid digestion methodology, we developed high-throughput LC/MS/MS with a monolithic silica column and parallel reaction monitoring-parallel accumulation-serial fragmentation. The optimized system was validated with synthetic peptides derived from high-risk HCPs, confirming excellent linearity, precision, accuracy, and low limit of detection (LOD) and limit of quantification (LOQ) (1-3 ppm). The optimized digestion and analysis method enabled high-throughput quantification of HCPs, and is expected to be useful for quality control and characterization of HCPs in antibody drugs.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0152"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11409222/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142290496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Direct ESI-MS of Ionic Liquids Using High-Pressure Electrospray From Large-Bore Emitters Made of Micropipette Tips. 利用微量移液管吸头制成的大口径发射器进行高压电喷雾，直接对离子液体进行 ESI-MS 分析。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-07-17 DOI: 10.5702/massspectrometry.A0148

Takeshi Matsuda, Lee Chuin Chen

引用次数: 0