样式: 排序: IF: - GO 导出 标记为已读
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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.
-
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
-
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
-
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.
-
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.
-
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
-
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.
-
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
-
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
-
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.
-
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
-
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.
-
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.
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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.
-
A fast method for the determination of personal care product chemicals in human urine using dispersive liquid–liquid extraction and ultra high-performance liquid chromatography–tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-15 Yawen Zheng, Yarui Liu, Zining Zhang, Liting Hua, Jing Fang, Lei Wang, Hongzhi Zhao
Personal care product chemicals (PCPCs) are the chemicals used in personal care products. Many of them are endocrine disruptors and have potential adverse effects on humans. The concentrations of PCPCs in urine are the main biomarker for assessing human exposure.
-
Accurate measurement of K/Ca in low-[K] carbonate samples using laser-ablation sector-field inductively coupled plasma mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-15 Romi Nambiar, Jorit F. Kniest, Alexander Schmidt, Jacek Raddatz, Wolfgang Müller, David Evans
Potassium (K) is a major component of several silicate minerals and seawater, and, therefore, constraining past changes in the potassium cycle is a promising way of tracing large-scale geological processes on Earth. However, [K] measurement using inductively coupled plasma mass spectrometry (ICP-MS) is challenging due to an ArH+ interference, which may be of a similar magnitude to the K+ ion beam in
-
Pharmacokinetic study of osilodrostat and identification of mono-hydroxylated metabolite in equine plasma for the purpose of doping control Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-16 Hideaki Ishii, Yuhiro Ishikawa, Fumiaki Mizobe, Motoi Nomura, Takashi Yamanaka, Sohei Tanabe, Shun-ichi Nagata, Masayuki Yamada, Gary Ngai-Wa Leung
Osilodrostat is an inhibitor of 11-beta-hydroxylase (CYP11B) and is used for the treatment of Cushing's disease but also categorized as an anabolic agent. The use of osilodrostat is prohibited in horseracing and equestrian sports. To the best of our knowledge, this is the first metabolic study of osilodrostat in equine plasma.
-
Exploring δ13C data compatibility in a broad δ13C range: Reassembling δ13C values obtained for NIST CO2 RMs 8562–8564 at different laboratories Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2024-01-11 Sergey Assonov
Stable isotope datasets obtained in different laboratories over years must be compared and combined. The strict compatibility in δ13C at ±0.01‰ and ±0.02‰, k = 1, respectively, is required for observations of greenhouse gases CO2 and methane. That implies the long-term compatibility of calibrations realized at different laboratories. Thus far, this level of compatibility has not been demonstrated for
-
Isotope effects accompanying δ2H, δ18O and δ17O analyses of aqueous saline solutions using cavity ring-down laser spectroscopy Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-26 Marek Dulinski, Kazimierz Rozanski, Anna Pierchala, Zbigniew Gorczyca
The presence of substantial amounts of dissolved salts creates serious difficulties in isotope analyses of water samples using conventional isotope ratio mass spectrometry. Although nowadays laser-based instruments are increasingly used for this purpose, a comprehensive assessment of isotope effects associated with direct analyses of aqueous saline solutions using this technology is lacking.
-
High-throughput mass spectrometry analysis using immediate drop-on-demand technology coupled with an open port sampling interface Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-26 Vilmos Kertesz, Dana L. Carper, John F. Cahill
The sampling throughput of immediate drop-on-demand technology (I.DOT) coupled with an open port sampling interface (OPSI) is limited by software communication. To enable much-needed high-throughput mass spectrometry (MS) analysis capabilities, a novel software was developed that allows for flexible sample selection from a 96-well plate and for maximized analysis throughput using I.DOT/OPSI-MS coupling
-
Structural confirmation of position isomers 2-(2-methylaminoprolyl)benzofuran and 5-(2-methylaminopropyl)benzofuran: a combined mass spectrometric and computational study Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-26 Yu Xu, Xin Lin, Xianxin Chen, Xing Ke, Hao Wu, Yi Lei Fan, Jing Zhou, Jiawei Xu
Phenylethylamines are one of the most common types of new psychoactive substances, following synthetic cannabinoids and synthetic cathinones. They are regulated in many countries because of their strong hallucinogenic effects, which can cause serious nerve damage. There is a wide variety of phenylethylamines, exhibiting rapid renewal and extremely similar structures, therefore accurate qualitative
-
On-column trace-level formation of N-nitrosamine in a liquid chromatography–mass spectrometry analytical system Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-26 James R. Wickens, Andrew P. Dominey
A model reaction between di-n-butylamine and sodium nitrite was studied to investigate trace-level N-nitrosamine formation. Liquid chromatography–mass spectrometry (LC–MS) analysis of kinetic time points from an in-progress reaction showed a systematic offset in nitrosamine concentration between quenched and unquenched samples. By combining samples of amine and nitrite in the needle of the autosampler
-
Simultaneous quantification of seven glycols in antifreeze liquids using direct liquid injection gas chromatography coupled with mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-22 George Madalin Danila, Mihaiella Cretu, Cristian Puscasu
Glycol-based antifreeze liquids, commonly composed of ethylene glycol or propylene glycol, have important uses in automotive cooling, but they should be handled with care due to their toxicity. Ethylene glycol is highly toxic to humans and animals. A fast, accurate, precise, and robust method was developed for the simultaneous quantification of seven most important glycols and their isomers.
-
User-friendly relative quantification procedure for gas chromatography/mass spectrometry–based plasma metabolome analysis Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-22 Shin Nishiumi, Tomonori Yokoyama, Noriyuki Ojima
Recently, metabolome analysis has been applied to a variety of research fields, but differences between batches or facilities can cause discrepancies in the results of such analyses. To resolve these issues using comprehensive metabolome analysis, in which it is difficult to perform quantitative analyses of all detected metabolites, internal standard compounds are used to obtain relative metabolite
-
Development and application of a multiple reaction monitoring method for the simultaneous quantification of sodium channels Nav1.1, Nav1.2, and Nav1.6 in solubilized membrane proteins from stable HEK293 cell lines, rodents, and human brain tissues Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-15 Rainbow Kwan, Prerna Das, Neelan Gerrebos, Jenny Li, Xin Yin Wang, Gina DeBoer, Vanessa Emnacen-Pankhurst, Sophia Lin, Raymond Feng, Sam Goodchild, Luis E. Sojo
Nav1.1, 1.2, and 1.6 are transmembrane proteins acting as voltage-gated sodium channels implicated in various forms of epilepsy. There is a need for knowing their actual concentration in target tissues during drug development.
-
A hydrogen isoscape for tracing the migration of herbivorous lepidopterans across the Afro-Palearctic range Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-15 Sana Ghouri, Megan S. Reich, Roger Lopez-Mañas, Gerard Talavera, Gabriel J. Bowen, Roger Vila, Valery N. K. Talla, Steve C. Collins, Dino J. Martins, Clement P. Bataille
Many insect species undertake multigenerational migrations in the Afro-tropical and Palearctic ranges, and understanding their migratory connectivity remains challenging due to their small size, short life span and large population sizes. Hydrogen isotopes (δ2H) can be used to reconstruct the movement of dispersing or migrating insects, but applying δ2H for provenance requires a robust isotope baseline
-
Tandem mass tag-based quantitative proteomics analyses of the spermatogenesis-ameliorating effect of Youjing granule on rats Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-12 Xuping Jiang, Wenjiao Zhu, Yaoxiang Sun, Sijia Wang, Miaomiao Sun, Ruijie Tang, Zhian Tang, Tieliang Ma
Male infertility is a common reproductive system disease manifested as aberrant spermatogenesis and identified as “kidney deficiency and dampness” in Chinese traditional medicine. Youjing granule (YG) is a Chinese material medica based on tonifying kidneys and removing dampness. It has proven to be able to regulate semen quality in clinical application, but the underlying mechanism has not been clarified
-
Identification and characterization of the metabolites of sinomenine using liquid chromatography combined with benchtop Orbitrap mass spectrometry and nuclear magnetic resonance spectroscopy Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-07 Ke Fang, Shaoyu Ren, Qian Zhang
Sinomenine, a major bioactive compound isolated from Sinomenium acutum, has been used for the treatment of rheumatoid arthritis and other cardio-cerebrovacular diseases. However, the metabolism of this drug has not been fully investigated. The current work was carried out to investigate the in vitro metabolism of sinomenine in liver microsomes.
-
Identification, characterisation and in silico ADMET prediction of ozenoxacin and its degradation products using high-performance liquid chromatography-photodiode array and liquid chromatography-quadrupole time-of-flight-tandem mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-12-07 Ashwinkumar Matta, Raja Sundararajan
Ozenoxacin (OXC) is an antibiotic used topically to treat impetigo. This study aimed to evaluate the degradation products (DP) of OXC drug substance under different stress conditions, including hydrolysis, oxidation, thermal and photolysis, in accordance with the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) guidelines Q1A(R2) and Q1B. The
-
Doping control approach: Identification of equine in vitro metabolites of voxelotor (GBT440), a hemoglobin S polymerization inhibitor Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-28 Michael Benedict Subhahar, Abdul Khader Karakka Kal, Moses Philip, Meleparappil Muhammed Ajeebsanu, Tajudheen K. Karatt, Zubair Perwad
Sickle cell disease, a debilitating genetic disorder affecting numerous newborns globally, has historically received limited attention in pharmaceutical research. However, recent years have witnessed a notable shift, with the Food and Drug Administration approving three innovative disease-modifying medications. Voxelotor, also known as GBT440, is a promising compound that effectively prevents sickling
-
A passive method for sampling water in the soil–plant–atmosphere continuum for stable hydrogen and oxygen isotope analyses Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-27 Mohammed I. El-Shenawy, Daniel Herwartz, Michael Staubwasser
Hydrogen and oxygen isotopes in water molecules are powerful tools to constrain the dynamics of water cycling within the soil–plant–atmosphere continuum (SPAC). However, the recovery of water from the SPAC requires logistical arrangements and implementation of different time- and cost-consuming techniques in either the field or the laboratory.
-
Using sulfur stable isotope ratios (δ34S) for animal geolocation: Estimating the delay mechanisms between diet ingestion and isotope incorporation in tail hair Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-28 Zabibu Kabalika, Daniel T. Haydon, Rona A. R. McGill, Juan M. Morales, Thomas A. Morrison, Jason Newton, J. Grant C. Hopcraft
Metabolism and diet quality play an important role in determining delay mechanisms between an animal ingesting an element and depositing the associated isotope signal in tissue. While many isotope mixing models assume instantaneous reflection of diet in an animal– tissue, this is rarely the case. Here we use data from wildebeest to measure the lag time between ingestion of 34S and its detection in
-
Identification of degradation products of brivaracetam using liquid chromatography quadrupole time-of-flight tandem mass spectrometry: Degradation pathway elucidation Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-21 Kehui Xu, Manru Ning, Wenqi Li, Haijuan Dong, Yuting Lu, Taijun Hang, Min Song
Pyrrolidone-based drugs find widespread use in treating conditions such as epilepsy and Alzheimer's disease, and in various other medical applications. Brivaracetam, the latest generation of pyrrolidone drugs, has exhibited significant promise owing to chemical structure modifications. Its affinity to the SV2A receptor is double that of the previous-generation drug, levetiracetam. Consequently, brivaracetam
-
Comparison of δ13C analyses of individual foraminifer (Orbulina universa) shells by secondary ion mass spectrometry and gas source mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-21 Jody B. Wycech, Daniel Clay Kelly, Reinhard Kozdon, Akizumi Ishida, Kouki Kitajima, Howard J. Spero, John W. Valley
The use of secondary ion mass spectrometry (SIMS) to perform micrometer-scale in situ carbon isotope (δ13C) analyses of shells of marine microfossils called planktic foraminifers holds promise to explore calcification and ecological processes. The potential of this technique, however, cannot be realized without comparison to traditional whole-shell δ13C values measured by gas source mass spectrometry
-
Differentiation of isobaric cross-linked peptides prepared via maleimide chemistry using MALDI-MS and MS/MS Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-22 Luis Javier González, Satomy Pousa, Hironobu Hojo, Shio Watanabe, Daisuke Higo, Alina Rodriguez Mallon, Toshifumi Takao
The thiosuccinimide linker is widely used in the synthesis of bioconjugates. However, it is susceptible to hydrolysis and is transformed into its hydrolyzed and/or the isobaric thiazine forms, the latter of which is a fairly common product in a conjugate that contains a cysteinyl peptide. Matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS) and matrix-assisted laser desorption/ionization-tandem
-
Identifying the active compounds and mechanism of action of TongFu XieXia Decoction for treating intestinal obstruction using network pharmacology combined with ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-21 Liting Ma, Yongxi Wu, Jing Luo, Fangtong Li, Meiyu Zhang, Yongyu Cai, Yulin Dai, Zifeng Pi, Fei Zheng, Hao Yue
TongFu XieXia Decoction (TFXXD), a formulation rooted in traditional Chinese medicine and optimized through clinical practice, serves as an advanced version of the classic Da Cheng Qi decoction used for treating intestinal obstruction (IO), demonstrating significant therapeutic efficacy. However, due to the intricate nature of herbal compositions, the principal constituents and potential mechanisms
-
Liquid chromatography–mass spectrometry-based metabolomics and fluxomics reveals the metabolic alterations in glioma U87MG multicellular tumor spheroids versus two-dimensional cell cultures Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-22 Shanjing Wen, Xinyi Tu, Qingce Zang, Ying Zhu, Limei Li, Ruiping Zhang, Zeper Abliz
Multicellular tumor spheroids (MCTSs) that reconstitute the metabolic characteristics of in vivo tumor tissue may facilitate the discovery of molecular biomarkers and effective anticancer therapies. However, little is known about how cancer cells adapt their metabolic changes in complex three-dimensional (3D) microenvironments. Here, using the two-dimensional (2D) cell model as control, the metabolic
-
Proteomics analysis of an individual formalin-fixed paraffin-embedded tissue section using isobaric-tag amplification. Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-30 Ara Cho,Jinsung Ahn,Andrew Kim,Jeong Hyun Lee,Han Suk Ryu,Kristine M Kim,Eugene C Yi
RATIONALE The comprehensive analysis of formalin-fixed paraffin-embedded (FFPE) tissues is essential for retrospective clinical studies. However, detecting low-abundance proteins and obtaining proteome-scale data from FFPE samples pose analytical challenges in mass spectrometry-based proteomics. To overcome this challenge, our study focuses on implementing an isobaric labeling approach to improve the
-
Development of in situ Li isotope analysis using laser ablation quadrupole inductively coupled plasma mass spectrometry Rapid Commun. Mass Spectrom. (IF 2.0) Pub Date : 2023-11-15 Xuefei Fan, Corliss Kin I Sio, Xu Chu, Hehe Jiang
Lithium isotope geochemistry is an important tool in the studies of Earth and planetary materials. In situ Li isotope analyses are typically performed using secondary ion mass spectrometry (SIMS) or laser ablation multicollector inductively coupled plasma mass spectrometry (LA-MC-ICPMS), but these instruments are not widely accessible. Here, the capability of laser ablation quadrupole ICPMS for conducting