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Quality evaluation of natural monomer flavors for Chinese tobacco industry based on dual mode combined Fourier transform ion cyclotron resonance mass spectrometry and isotopic fine structures Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-22 Juncang Peng, Yaling Fan, Yuping He, Yao Wang, Yaqing Zhu, Yu Fu, Yonglin Shang, Jia Yu
RationaleNatural monomer flavors can modify the taste of cigarettes. However, no report was published to establish the quality control method for their chemical compositions.MethodsIn this study, licorice, a traditional natural monomer flavor used in tobacco aroma processing, was selected, and the fingerprint was developed by high‐performance liquid chromatography (HPLC). Next, the chemical markers
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The effects of modifiers on electrospray ionization for small‐to‐medium‐sized molecules in comparison with solution‐phase ionization Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-18 Pieter Venter
Modifiers are essential additives in electrospray ionization (ESI) mass spectrometric analysis to enhance the production of ionic species in the gas phase for the detection of small‐to‐medium‐sized molecules in biological and aqueous samples. Therefore, an appropriate modifier, in conjunction with the right ionization polarity, is crucial for sensitive ESI mass spectrometric analysis. However, the
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Simulation study of digital waveform‐driven quadrupole mass filter operated in higher stability regions for high‐resolution inductively coupled plasma mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-15 Rui Hu, Alexander Gundlach‐Graham
RationaleThe use of a frequency‐scanned digital quadrupole mass filter (QMF) with varying duty cycles shows promise for application as a high‐resolution mass analyzer design for inductively coupled plasma mass spectrometry (ICP‐MS). High resolution in ICP‐MS is important to overcome isobaric polyatomic interferences. Here, we explore the possibility and the characteristics of using a digital quadrupole
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Installation protocol for charge transfer dissociation mass spectrometry on ion trapping mass spectrometers Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-15 Zachary J. Sasiene, Glen P. Jackson
RationaleCharge transfer dissociation (CTD) is a novel fragmentation technique that demonstrates enhanced structural characterization for a wide variety of molecules compared to standard fragmentation techniques like collision‐induced dissociation (CID). Alternative fragmentation techniques, such as electron transfer dissociation, electron capture dissociation, and ultraviolet photodissociation, also
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Solvent‐free sample preparation for matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry of polymer blends Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-15 Mete Sungur Dalgic, Steffen Weidner
RationaleSolvent‐free sample preparation offers some advantages over solvent‐based techniques, such as improved accuracy, reproducibility and sensitivity, for matrix‐assisted laser desorption/ionization (MALDI) analysis. However, little or no information is available on the application of solvent‐free techniques for the MALDI analysis of polymer blends.MethodsSolvent‐free sample preparation by ball
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Characterization of the fragmentation mechanisms in electrospray ionization tandem mass spectrometry of chloroquinoline derivatives with larvicidal activity against Aedes aegypti Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-12 Rodrigo Moreira da Silva, Jéssica Guastalli Barbieri, Valter Eduardo Murie, Maíra Rosato Silveira Silvério, Rafael Augusto Soldi, Lorena Carneiro Albernaz, Laila Salmen Espindola, Paulo Cézar Vieira, Giuliano Cesar Clososki, Ricardo Vessecchi, Norberto Peporine Lopes
Rationale4,7‐Dichloroquinoline (DCQ) represents a group of synthetic molecules inspired by natural products with important roles in biological and biomedical areas. This work aimed to characterize DCQ and its derivatives by high‐resolution electrospray ionization (ESI) mass spectrometry and tandem mass spectrometry (ESI‐MS/MS), supported by theoretical calculations. Biological assays were carried out
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Simultaneous quantification of six proteins related to liver injury using nano liquid chromatography–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-12 Siyu Cai, Yuan Su, Mengtian Shi, Dandan Wang, David Da Yong Chen, Binjun Yan
RationaleIn clinical diagnosis of liver injury, which is an important health concern, serum aminotransferase assays have been the go‐to method used worldwide. However, the measurement of serum enzyme activity has limitations, including inadequate disease specificity and enzyme specificity.MethodsWith the high selectivity and specificity provided by nano liquid chromatography–tandem mass spectrometry
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Development and validation of high‐performance liquid chromatography‐Orbitrap mass spectrometric method for quantification of NDMA in ranitidine drug products and evaluation of antioxidants as inhibitors of classical nitrosation reaction Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-11 Dande Aishwarya, Pallaprolu Nikhil, Subramanian Natesan, Ravichandiran Velayutham, Ramalingam Peraman
RationaleN‐Nitroso dimethylamine (NDMA) is a mutagenic impurity detected in several ranitidine products. The amino functional group of ranitidine is a risk factor for classical nitrosation‐induced NDMA formation in ranitidine drug products during storage conditions. The United States Food and Drug Administration (US FDA) recommended the use of antioxidants to control NDMA in drug products. Considering
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Imaging and quantification of neuropeptides in mouse pituitary tissue by atmospheric pressure matrix‐assisted laser desorption/ionization mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-11 Qi Yang, Chengyuan Liu, Keke Qi, Ying Xiong, Yang Pan, Changlin Tian
RationaleAtmospheric pressure matrix‐assisted laser desorption/ionization (AP‐MALDI) mass spectrometry has enabled the untargeted analysis and imaging of neuropeptides and proteins in biological tissues under ambient conditions. Sensitivity in AP‐MALDI can be improved by using sample‐specific preparation methods.MethodsA comprehensive and detailed optimization strategy including instrument parameters
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Analytical method development, identification, and characterization of stress degradation products of idelalisib by ultrahigh‐performance liquid chromatography with photodiode array and ultrahigh‐performance liquid chromatography with electrospray ionization quadrupole time‐of‐flight mass spectrometry studies Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-09 Marella Mahesh, Alka Bali, Tanvi Gupta
RationaleAs per International Council for Harmonization (ICH) drug stability test guideline Q1A(R2), inherent stability characteristics of a drug should be studied. This work was designed to investigate inherent degradation characteristics of the drug idelalisib under ICH prescribed stress conditions, identify its degradation products, and postulate their corresponding degradation pathways.MethodsIdelalisib
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Procedures from samples to sulfur isotopic data: A review Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-09 Changqiu Zhao, Qingjun Guo, Tonggang Zhang, Xiaokun Han, Dawuda Usman
RationaleSulfur isotopes have been widely used to solve some key scientific questions, especially in the last two decades with advanced instruments and analytical schemes. Different sulfur speciation and multiple isotopes analyzed in laboratories worldwide and in situ microanalysis have also been reported in many articles. However, methods of sampling to measurements are multifarious, and occasionally
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High‐resolution multi‐reflection time‐of‐flight mass spectrometer with atmospheric pressure interface Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-08 Shuxiong Yan, Yi Ren, Qi Huang, Yi Hong, Zhengge Chen, Mei Li, Bin Hu, Zhengxu Huang
RationaleAtmospheric pressure interface multi‐reflection time‐of‐flight mass spectrometry (API‐MRTOF‐MS) has the potential to be a rapid and high‐resolution analytical tool for versatile applications in chemistry, biology, environmental science, and medicine.MethodsThe ions were reflected in a mass analyzer via electrostatic mirrors and folded flight path. Therefore, flight distances were significantly
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The influence of biopsy site and pregnancy on stable isotope ratios in humpback whale skin Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-05 Devin C. Fraleigh, Logan J. Pallin, Ari S. Friedlaender, Jay Barlow, Annette E. Henry, Danielle M. Waples, Teris Oglesby, Alyson H. Fleming
RationaleStable isotope analysis (SIA) of free‐swimming mysticetes using biopsies is often limited in sample size and uses only one sample per individual, failing to capture both intra‐individual variability and the influence of demographic and physiological factors on isotope ratios.MethodsWe applied SIA of δ13C and δ15N to humpback whale (Megaptera novaeangliae) biopsies taken during the foraging
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Determination of trace chelating carboxylic acids in rice by green extraction combined with liquid chromatography–mass spectrometry analysis and its application in the evaluation of old and new rice Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-04 Yuting Kang, Yan Wang, Yufei Feng, Guoliang Huang, Fang Qi, Huiru Li, Kezhi Jiang
RationaleAccurate identification of old rice samples from new ones benefits their market circulation and consumers. However, the current detection methods are still not satisfactory because of their insufficient accuracy or (and) time‐consuming process.MethodsChelating carboxylic acids (CCAs) were selectively extracted from rice, by stirring with chelating resin and a dilute Na2CO3 solution. The green
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Investigation of unexpected silane ions caused by gas‐phase reactions in Orbitrap gas chromatography–mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-03 Jingxin Hu, Chunying Chen, Haiyun Zhou, Li Zhang, Sujun Yan, Hui Liang
RationaleThe mass spectra of compounds containing dimethyl (phenyl)silyl group (‐SiMe2Ph) sometimes exhibit unusual ion peaks when measured using Orbitrap gas chromatography–mass spectrometry (GC–MS). This would complicate the mass spectra and may limit the matching of spectral data with preexisting resources for compound annotation. These peaks were identified as products from reactions with residual
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Structural characterization of fatty acid anions via gas‐phase charge inversion using Mg(tri‐butyl‐terpyridine)22+ reagent ions Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-04-03 Sarah T. Nsiah, Kimberly C. Fabijanczuk, Scott A. McLuckey
RationaleFree fatty acids and lipid classes containing fatty acid esters are major components of lipidome. In the absence of a chemical derivatization step, FA anions do not yield all of the structural information that may be of interest under commonly used collision‐induced dissociation (CID) conditions. A line of work that avoids condensed‐phase derivatization takes advantage of gas‐phase ion/ion
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A computational and experimental study of cis–trans isomeric pesticides based on collision‐induced dissociation of high‐resolution mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-27 Hongyan Zhang, Qiaoying Chang, Hui Chen, Yujie Xie, Yuting Bai, Xingzhi Wang, Ling Li, Guofang Pang
RationalePesticide isomers are widely available in agricultural production and may vary widely in biological activity, potency, and toxicity. Chromatographic and mass spectrometric analysis of pesticide isomers is challenging due to structural similarities.MethodsBased on liquid chromatography time‐of‐flight mass spectrometry, identification of cis–trans isomeric pesticides was achieved through retention
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Wearable sampling of proteins from human exhaled aerosols for nano‐liquid chromatography–tandem mass spectrometry analysis: A pilot study Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-27 Shen‐hui Cai, Baixue Wang, Jianfeng Zhang, Jiubiao Guo, Bin Hu
RationaleHuman exhaled breath usually contains unique proteins that may provide clues to characterize individual physiological activities and many diseases. However, the concentration of exhaled proteins in exhaled breath is extremely low and usually does not reach the detection limits of all online breath mass spectrometry instruments. Therefore, developing a new breath sampler for collecting and
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Mass spectrometry imaging protocol for spatial mapping of lipids, N‐glycans and peptides in murine lung tissue Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-25 Yuen T. Ngai, Matthew T. Briggs, Parul Mittal, Clifford Young, Emma Parkinson‐Lawrence, Manuela Klingler‐Hoffmann, Sandra Orgeig, Peter Hoffmann
RationaleThe application of matrix‐assisted laser desorption/ionization mass spectrometry imaging (MALDI‐MSI) to murine lungs is challenging due to the spongy nature of the tissue. Lungs consist of interconnected air sacs (alveoli) lined by a single layer of flattened epithelial cells, which requires inflation to maintain its natural structure. Therefore, a protocol that is compatible with both lung
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Mass spectral characterisation of cyclic oligoesters in a biodegradable mulch film Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-25 Charlie Monkley, Michaela K. Reay, Richard P. Evershed, Charlotte E. M. Lloyd
RationalePlastic mulch film manages weed growth and moisture loss on the surface of cropping beds. The chemical components of such plastics include polymer(s), additives and non‐intentionally added substances (NIASs). The unknown chemical nature and behaviours of these constituents require investigation due to their potential to add to the anthropogenic chemical burden in the agrifood system.MethodsSolvent
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Study of the impurity profile of photodegradation in lomefloxacin hydrochloride ear drops using liquid chromatography combined with ion trap/time‐of‐flight mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-25 Hongxia Zeng, Ying Yang, Jiarui Gao, Yuping Zhou, Jinqi Zheng
RationaleLomefloxacin hydrochloride ear drops are highly unstable to light and prone to produce photodegradation impurities. These impurities might be related to the phototoxicity of lomefloxacin, which could seriously threaten the health of patients. In this article, the photodegradation impurity profile in lomefloxacin hydrochloride ear drops was studied for further improvement of quality control
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Identification of multiple plasma lipids as diagnostic biomarkers of hypercholesterolemia and the underlying mechanisms based on pseudo‐targeted lipidomics Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-20 Rui Zhao, Yuqing Tang, Wenhui Cao, Lijuan Zhao, Zhifeng Wu, Xianghui Chen, Yimin Li, Xiaoe Jia, Haihua Bai
RationaleHypercholesterolemia is an important risk factor for cardiovascular diseases and death. This study performed pseudo‐targeted lipidomics to identify differentially expressed plasma lipids in hypercholesterolemia, to provide a scientific basis for the diagnosis and pathogenesis of hypercholesterolemia.MethodsPseudo‐targeted lipidomic analyses of plasma lipids from 20 patients with hypercholesterolemia
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Proposal and confirmation of N‐(2‐carboxyethyl)proline as a human endogenous metabolite Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-20 Qibo Zhang, Klaus‐Peter Adam
RationaleMalondialdehyde, one of the peroxidation products of polyunsaturated fatty acids, has been widely reported as an oxidative stress biomarker in many diseases. However, malondialdehyde is inherently unstable in biological matrices, which renders its measurement unreliable with all the reported analytical methods. To find an alternative oxidative stress biomarker, we envisioned that N‐(2‐carboxyethyl)proline
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Profiling of urinary steroids aided by lithium ion adduction‐based ultrahigh‐performance liquid chromatography–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-19 Yue Pan, Qiuyi Wang, Mengyao Chen, Toshifumi Takao
RationaleAs 3‐OH‐containing steroids are prone to dehydration by conventional electrospray ionization, reducing detection sensitivity, Li ion adduction‐based ultrahigh‐performance liquid chromatography–tandem mass spectrometry (UHPLC/MS/MS), developed to prevent dehydration and effectively detect 3‐OH steroids, was applied for profiling total and free steroids in urine.MethodsFree urinary steroids
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Full collision energy ramp–pseudo‐multistage mass spectrometry facilitates aglycone identification for glycosides Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-19 Wenzheng Li, Jingjing Shi, Wenjing Liu, Pengfei Tu
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Metabolomics profiling for diagnosis of acute renal failure after cardiopulmonary bypass Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-14 Sevilay Erdoğan Kablan, Abdulkadir Yılmaz, Hamzah Syed, Sinan Sabit Kocabeyoğlu, Ümit Kervan, Nuran Özaltın, Emirhan Nemutlu
RationaleAcute renal failure (ARF) is one of the most serious complications of cardiopulmonary bypass (CPB) surgery. Serum creatinine level is a key compound examined to understand whether renal function is normal. However, its level may vary based on age, gender, race, muscle mass, nutrition, and drugs taken by an individual. In addition, it may not be detected without a 50% reduction in renal function
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Preliminary investigation on the analysis of the whole components of Pogejiuxin decoction and its formulation pattern based on ultrahigh‐performance liquid chromatography with quadrupole time‐of‐flight mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-12 Qi Zhang, Jun Xiang, Qian Fan, Pingping Wu, Qian Wang, Xiji Xiao, Aizhi Wu, Li Rong, Yumei Wang, Cuixian Zhang
RationalPogejiuxin decoction (PGJXD) is one of the most important formulas for the treatment of heart failure. However, there is a great lack of research on the material basis of this formula, especially research on its compatibility laws, which restricts its clinical use. Studying the complete ingredients and compatibility rules of PGJXD has great significance for guiding clinical medication.MethodsThe
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Perturbations in human bile acid profiles following drug‐induced liver injury investigated using semitargeted high‐resolution mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-12 Myriam Mireault, Christopher F. Rose, Constantine J. Karvellas, Lekha Sleno
RationaleAcetaminophen (APAP) overdose is the leading cause of acute liver failure (ALF) in North America. To investigate the effect of drug‐induced liver injury (DILI) on circulating bile acid (BA) profiles, serum from ALF patients and healthy controls were analyzed using a semitargeted high‐resolution mass spectrometry approach to measure BAs in their unconjugated and amidated forms and their glucuronide
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A statistical approach to system suitability testing for mass spectrometry imaging Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-08 Alexandria L. Sohn, Russell R. Kibbe, Olivia E. Dioli, Emily C. Hector, Hongxia Bai, Kenneth P. Garrard, David C. Muddiman
RationaleMass spectrometry imaging (MSI) elevates the power of conventional mass spectrometry (MS) to multidimensional space, elucidating both chemical composition and localization. However, the field lacks any robust quality control (QC) and/or system suitability testing (SST) protocols to monitor inconsistencies during data acquisition, both of which are integral to ensure the validity of experimental
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Metabolism of ADB‐FUBIATA in zebrafish and pooled human liver microsomes investigated by liquid chromatography–high‐resolution mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-08 Xinze Liu, Yiling Tang, Linhao Xu, Wei Liu, Ping Xiang, Taijun Hang, Hui Yan
RationaleADB‐FUBIATA is one of the most recently identified new psychoactive substance (NPS) of synthetic cannabinoids. The co‐use of in vitro (human liver microsomes) and in vivo (zebrafish) models offers abundant metabolites and may give a deep insight into the metabolism of NPS.MethodsIn vivo and in vitro metabolic studies of new synthetic cannabinoid ADB‐FUBIATA were carried out using zebrafish
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Identification and characterization of impurities in an insecticide, commercial chlorantraniliprole using liquid chromatography–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-03-08 Jyoti Kannoujia, Nagaraju Chirra, Ramesh Rodda, Asif Shaikh, Nagaraju Maddala, Srinivas Kantevari, Prabhakar Sripadi
RationaleEnsuring the global safety and effectiveness of agrochemicals has become imperative. An in‐depth understanding of impurity profiles of products is crucial, especially for high‐demand agrochemicals, where impurities may be more toxic and persistent than original agrochemicals. This study focuses on the detection and identification of impurities in a commercial chlorantraniliprole (CAP), an
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Gas‐phase F‐atom migration reaction of deprotonated N‐fluoroarenesulfonamides Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-29 Yaoyu Xia, Yu‐Yang Zhang, Qian Zhang, Xiang Zhang, Hao‐Yang Wang
RationaleRecently N‐Fluoroarenesulfonamides (ArSO2NHF) were found to be promising precursors for the preparation of N‐fluorobenzenesulfonimide derivatives without applying F2. However, very few studies have discussed the mass spectrometric behaviors of ArSO2NHF with N–F structure.MethodsIn this article, we applied high‐resolution electrospray ionization tandem mass spectrometry (HR‐ESI‐MS/MS) to study
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A rapid method for the determination of stable hydrogen isotope ratios of acetic acid in vinegar Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-29 Di Feng, Daobing Wang, Qiding Zhong, Zhuying Wu, Hongwei Yue, Yang Liu, Luoqi Zhang
RationaleVinegar is an everyday condiment made from fermented grains or fruits. It contains acetic acid which is the main organic material produced by fermentation. Vinegar suffers from the authenticity problem of exogenous adulteration due to the indistinguishability of low‐cost chemical sources of synthetic acetic acid from acetic acid produced by fermentation. It is necessary to establish a simple
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Desorption electrospray ionization mass spectrometry imaging of latent fingerprints revealed by Oil Red O Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-29 Mariska Banidol, Sophia Kouider, Isaure Sergent, Hélène Pizzala, Laurence Charles
Mass spectrometry imaging (MSI) is increasingly used to produce chemical images of latent fingerprints. Yet, the actual benefits of MSI for real case studies have to be assessed for fingerprints previously processed by forensic techniques. Here, we have evaluated the compatibility of desorption electrospray ionization (DESI) with the fingerprint enhancement technique involving Oil Red O (ORO).MethodsTo
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Alternative electrolyte solutions for untargeted breath metabolomics using secondary‐electrospray ionization high‐resolution mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-23 Cedric Wüthrich, Renato Zenobi, Stamatios Giannoukos
RationaleSecondary‐electrospray ionization (SESI) coupled with high‐resolution mass spectrometry is a powerful tool for the discovery of biomarkers in exhaled breath. A primary electrospray consisting of aqueous formic acid (FA) is currently used to charge the volatile organic compounds in breath. To investigate whether alternate electrospray compositions could enable different metabolite coverage
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Application of clustering strategy for automatic segmentation of tissue regions in mass spectrometry imaging Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-23 Guang Xu, Shengfeng Gan, Bo Guo, Li Yang
RationaleMass spectrometry imaging (MSI) has been widely used in biomedical research fields. Each pixel in MSI consists of a mass spectrum that reflects the molecule feature of the tissue spot. Because MSI contains high‐dimensional datasets, it is highly desired to develop computational methods for data mining and constructing tissue segmentation maps.MethodsTo visualize different tissue regions based
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Recent advancements in disulfide bridge characterization: Insights from mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-16 Sachin Chaturvedi, Sanket Bawake, Nitish Sharma
Disulfide bridges (DSB) play an important role in stabilizing three-dimensional structures of biopharmaceuticals, single purified proteins, and various cyclic peptide drugs that contain disulfide in their structures. Incorrect cross-linking known as DSB scrambling results in misfolded structures that can be inactive, immunogenic, and susceptible to aggregation. Very few articles have been published
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Method validation and characterization of stress degradation products of azelastine hydrochloride using LC-UV/PDA and LC-Q/TOF-MS studies Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-13 Sudhanshu Shekhar, Alka Bali
Azelastine HCl is a second-generation H1-receptor antagonist approved by the US Food and Drug Administration (US FDA) for treating seasonal allergic rhinitis and non-allergic vasomotor rhinitis. This study encompasses the validation of a liquid chromatography-ultra violet photo diode array (LC-UV/PDA) method for the drug and its extension to liquid chromatography/quadrupole time-of-flight mass spectrometry
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Affordable event and monthly rain samplers: Improving isotopic datasets to understand meteorological processes Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-13 Cécile Carton, Florent Barbecot, Jean-François Hélie, Viorel Horoi, Jean Birks, Antoine Picard, Jorge Mona
Water-stable isotopes in rainfall are powerful tracers of atmospheric processes at different spatial and temporal scales. However, commercially available rain samplers for isotopic analysis are prohibitively expensive, especially for high spatial resolution networks and studies conducted in developing countries. A low-cost, simple, and robust sampler was designed for event and monthly rainfall samplings
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Detailed profiling of polysorbate 80 oxidative degradation products and hydrolysates using liquid chromatography–tandem mass spectrometry analysis Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-13 Yutaka Konya, Ryosuke Ochiai, Satoshi Fujiwara, Kazushige Tsujino, Takeshi Okumura
Polysorbate 80 (PS80) is an amphipathic, nonionic surfactant that is commonly used to stabilize proteins in biopharmaceutical formulations. PS80 undergoes oxidative and/or enzymatic degradation. However, because PS80 is a complex mixture consisting of many constituents, comprehensive evaluations of its oxidative degradation products are difficult and insufficient.
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A strategy of combining energy-resolved mass spectrometry and density functional theory for the recognition of forsythoside isomers Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-07 Chuhui Lin, Yangkun Sun, Jingjing Kuang, Hongyang Zhang, Haoyu Yang, Min Zhang, Ping Hu
Isomerism is very common in nature, and the mass spectrometry (MS) behavior of isomers is highly similar, making their spectral analysis and identification difficult. Computational chemistry can effectively assist the study of MS spectra and molecule structures. Herein, three isomers of forsythoside (For-A, For-H, and For-I) were successfully identified using energy-resolved MS combined with density
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Identification and quantification of both isomers of hexahydrocannabinol, (9R)-hexahydrocannabinol and (9S)-hexahydrocannabinol, in three different matrices by mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-11 Charline Bottinelli, Pauline Baradian, Amélie Poly, Guillaume Hoizey, Camille Chatenay
Hexahydrocannabinol (HHC), a compound derived from synthetic production using cannabidiol (CBD) or delta-9-tetrahydrocannabinol (Δ9-THC), has gained recent attention due to its presence in seized materials across Europe. Sold legally in various forms, HHC poses potential health risks, particularly as a legal alternative to THC in some countries. Despite its historical description in the 1940s, limited
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Gas-phase Smiles rearrangement of ortho-nitro-substituted diaryliodonium cations and their mechanistic insights Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-02-05 Wu-Zhi Wei, Cheng Pan, Lin Ling, Jianwei Han, Hao-Yang Wang
Diaryliodonium salts are useful electrophilic reagents in organic chemistry, finding extensive applications in arylations and photo-induced polymerizations. However, comprehensive mechanistic investigations, particularly concerning the mass spectrometric behaviors of diaryliodonium salts, are relatively scarce in the literature.
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A modified laser ablation-isotope ratio mass spectrometry method for in situ analysis of sulfur isotope composition of sulfides Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-30 Dongwei Guo, Changfu Fan, Bin Hu, Yanhe Li, Xiaopei Wu, Pengcheng Sun, Kejun Hou, Qian Wang
A novel laser ablation-isotope ratio mass spectrometry (LA-IRMS) method for in situ analysis of sulfur isotopes in sulfides has been developed. Instead of the in situ reaction applied by the traditional laser microprobe, the analyte gas preparation in this method is separated temporally and spatially from the LA, resulting in improved precision and accuracy.
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The absolute δ18O value for SLAP with respect to VSMOW reveals a much lower value than previously established Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-28 Anita Th. Aerts-Bijma, Albert C. van Buuren, Dipayan Paul, Harro A. J. Meijer
SLAP is one of the two calibration materials for the isotopic water scale. By consensus the established δ18O value is −55.5‰, although several expert laboratories measure significantly more negative δ18OSLAP values. The real δ18OSLAP value as such does not influence the isotopic water scale; however, knowledge of the size of isotopic scale contraction in stable isotope measurements is vital for second-order
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Simultaneous quantification of endogenous biomarkers and detection of testosterone esters in human serum using gas chromatography–high-resolution mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-25 Dayamín Martínez_Brito, Patrizia Leogrande, Daniel Jardines, Xavier de la Torre, Francesco Botrè
High-resolution mass spectrometry (HRMS) has been demonstrated to be an alternative platform for quantitative analyses, identifying unknown compounds and gathering information for the elucidation of chemical structures. This work describes a method to detect 13 esters of testosterone (T) and 5 biomarkers in 0.1 mL of human serum using gas chromatography (GC) coupled to HRMS.
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A biomarker panel of secondary hypertension is simultaneously quantified by coupling of magnetic solid-phase extraction and liquid chromatography–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-24 Xi Gao, Xiaoyong Li, Lingyun Chen, Shuyan Chen, Guixue Hou, Liang Lin, Qunjie Wang, Jiuxin Qu, Siqi Liu
Secondary hypertension is often caused by activation of complex multi-organ endocrine systems, while renin activity indicated by angiotensins (Angs), aldosterone (ALD) and cortisol (COR) in such systems are generally accepted as its diagnostic markers. As antibody-based methods cannot offer comparable quantification for these biomarkers, a liquid chromatography (LC)–tandem mass spectrometry (MS/MS)-based
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Discrimination and characterization of volatile organic compounds in Lonicerae Japonicae flos and Lonicerae flos using multivariate statistics combined with headspace gas chromatography–ion mobility spectrometry and headspace solid-phase microextraction gas chromatography–mass spectrometry techniques Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-23 Tong Wu, Jiaxin Yin, Xinlong Wu, Wei Li, Songtao Bie, Jing Zhao, Xinbo Song, Heshui Yu, Zheng Li
The volatile organic compounds (VOCs) of Lonicerae Japonicae flos (LJF) and Lonicera flos (LF) play a pivotal role in determining their sensory characteristics, medicinal properties, and subsequent impact on market pricing and consumer preferences. However, the differences and specificity of these VOCs remain obscure. Hence, it is crucial to conduct a comprehensive characterization of the VOCs in LJF
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Thin-section- and matrix-free mass spectrometry imaging: Reproducible sample transfer using novel platinum-coated porous plate formed of glass beads Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-23 Takamasa Ikeda, Masahiro Kotani
Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) typically requires sample preparation such as sectioning and spraying of the matrix. Sample transfer using a Pt-coated porous plate formed of glass beads simplifies preparation and enables reproducible MSI measurements.
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Tandem mass spectrometry using continuous-wave infrared multiphoton dissociation in an electrostatic linear ion trap Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-23 Ian J. Carrick, Kimberly C. Fabijanczuk, Jiayue Rong, Scott A. McLuckey
The electrostatic linear ion trap (ELIT) can be operated as a multi-reflection time-of-flight (MR-TOF) or Fourier transform (FT) mass analyzer. It has been shown to be capable of performing high-resolution mass analysis and high-resolution ion isolations. Although it has been used in charge-detection mass spectrometry (CDMS), it has not been widely used as a conventional mass spectrometer for ensemble
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Radial basis function neural network optimization algorithm based on dynamic inertial weight particle swarm optimization for separating overlapping peaks in ion mobility spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-23 Binxin Shou, Mingguang Yang, Zihan Song, Junhui Li, Keqi Tang, Wenqing Gao, Jiayong Feng, Jiancheng Yu
Ion mobility spectrometry (IMS), as a promising analytical tool, has been widely employed in the structural characterization of biomolecules. Nevertheless, the inherent limitation in the structural resolution of IMS frequently results in peak overlap during the analysis of isomers exhibiting comparable structures.
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Gas chromatography–mass spectrometry selected ion monitoring and gas chromatography–tandem mass spectrometry selected reaction monitoring analyses of mono-, di- and tri-unsaturated C25 highly branched isoprenoid alkene biomarkers in sea ice and sediment samples: A comparative study Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-21 Jean-François Rontani, Lukas Smik, Dmitry Divine, Katrine Husum, Simon T. Belt
The efficiency of selected ion monitoring (SIM) and selected reaction monitoring (SRM) analyses for the quantification of three mono-, di- and tri-unsaturated highly branched isoprenoid (HBI) alkenes (IP25, IPSO25 and HBI III, respectively), often used as proxies for the occurrence of Arctic and Antarctic sea ice or the adjacent open waters, was compared.
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Atmospheric solids analysis probe mass spectrometry: An easy bolt-on for the synthetic undergraduate teaching laboratory Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-22 Nathaniel M. Bingham, James S. Wright, Simone C. Mathias, David Douce, Patrick Sears
High costs and student numbers can often hinder implementation of mass spectrometry (MS) in the undergraduate teaching laboratory, often with technicians running samples on students' behalf, and the implementation of MS only in discrete or isolated experiments. This study explores the use of atmospheric solids analysis probe MS (ASAP-MS) as a relatively low-cost, benchtop instrument, and its potential
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Chemical analysis of additives included in fully formulated oils using high-performance liquid chromatography–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-16 Vincent Basham, Tom Hancock, John McKendrick, Nathalia Tessarolo, Chrissie Wicking
Fully formulated oils (FFOs) are chemically complex petrochemical products composed of base oil and additive mixtures that are employed in automotive engines to provide lubrication. In particular, the additive portion of FFOs is often precisely controlled to tailor the resultant formulation to a specific role. Analysis of the additive composition of both used and unused FFOs is therefore of great importance
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Inclusion of deuterated glycopeptides provides increased sequence coverage in hydrogen/deuterium exchange mass spectrometry analysis of SARS-CoV-2 spike glycoprotein Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-16 Christopher A. Haynes, Theodore R. Keppel, Betlehem Mekonnen, Sarah H. Osman, Yu Zhou, Adrian R. Woolfitt, Jakub Baudys, John R. Barr, Dongxia Wang
Hydrogen/deuterium exchange mass spectrometry (HDX-MS) can provide precise analysis of a protein's conformational dynamics across varied states, such as heat-denatured versus native protein structures, localizing regions that are specifically affected by such conditional changes. Maximizing protein sequence coverage provides high confidence that regions of interest were located by HDX-MS, but one challenge
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LC/Q-TOF-MS-based structural characterization of enasidenib degradation products and establishment of a stability-indicating assay method: Insights into chemical stability Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-17 Avinash Chakkar, Sachin Chaturvedi, Niraj Rajput, Pinaki Sengupta, Nitish Sharma
Enasidenib (EDB) is an orally active selective mutant isocitrate dehydrogenase-2 enzyme inhibitor approved by the U.S. Food and Drug Administration to treat acute myeloid leukemia. It lacks a reported forced degradation study and a stability-indicating assay method (SIAM). This study addresses this gap by establishing a degradation profile in accordance with the International Council for Harmonisation
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Design and experiment of high-field asymmetric waveform ion mobility spectrometry chip based on an integrated temperature control printed circuit board structure Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-17 Hao Zeng, Yu-Qiao Zhang, Yi-Fei Wang, Xiao-Xia Du, Wen-Xiang Xiao, Hua Li
During the detection of volatile organic compounds (VOC) using high-field asymmetric waveform ion mobility spectrometry (FAIMS), the ambient temperature significantly impacts the accuracy of planar FAIMS. To mitigate the influence of ambient temperature on detection accuracy and enhance resolution, a FAIMS system based on the inner impedance characteristics of a printed circuit board (PCB) was designed
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Ethanolysis of nitrogen mustards: A novel strategy for nitrogen mustard identification in environmental matrices by liquid chromatography–electrospray ionization–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-16 Chen Belay, Avital Shifrovitch, Hagit Prihed, Moran Madmon, Merav Blanca, Tamar Shamai Yamin, Avi Weissberg
Nitrogen mustards (NMs) are blistering chemical warfare agents. The ability to detect NMs in environmental samples is very important for obtaining forensic evidence. The most common analytical techniques for NM detection are gas chromatography–mass spectrometry, which detects NMs in their intact form but is disadvantaged by high limits of detection (LODs), and liquid chromatography–electrospray ionization–tandem
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Establishment of high-performance liquid chromatography-photodiode array method for 43 weight loss agents and effect of basic environment on bisacodyl degradation Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-17 Ji Hyun Lee, Hyeon Joo Ham, Hye-Min Bae, Kyoung-Moon Han, Jongkook Lee, Hyung Il Kim
The demand for weight loss products is increasing as slimness emerges as the new aesthetic standard and people's desire to achieve it increases. In addition, the distribution and sale of products containing illegal ingredients, pharmaceuticals, and chemicals for which safety is not guaranteed and that cannot be used as foods or dietary supplements are increasing. Thus, the development of an analytical
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A fixed-charge model of the N-protomer of 4-aminobenzoic acid to facilitate the study of the unimolecular and bimolecular chemistry of its “neutral” carboxylic acid group Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-15 Beiang Zhang, Laura Burchill, Weam A. O. Altalhi, Howard Z. Ma, Richard A. J. O'Hair
There are a growing number of examples of protomers formed via electrospray ionization (ESI) that do not fragment under mobile proton conditions, giving rise to distinct tandem mass spectra. To model the N-protomer of 4-aminobenzoic acid, here we study the gas-phase unimolecular and bimolecular chemistry of the 4-(carboxyphenyl)trimethylammonium ion.