Doping control approach: Identification of equine in vitro metabolites of voxelotor (GBT440), a hemoglobin S polymerization inhibitor
CONCLUSIONS: The data acquired will accelerate the identification of voxelotor and related compounds, aiding in the detection of their illicit use in competitive sports. It is crucial to emphasize that the metabolites detailed in this manuscript were identified through in vitro experiments and their detection in an in vivo study may not be guaranteed.PMID:38124165 | DOI:10.1002/rcm.9671 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Michael Benedict Subhahar Abdul Khader Karakka Kal Moses Philip Meleparappil Muhammed Ajeebsanu Tajudheen K Karatt Zubair Perwad Source Type: research

Differentiation of isobaric cross-linked peptides prepared via maleimide chemistry using MALDI-MS and MS/MS
CONCLUSIONS: The thiosuccinimide (but not thiazine) form of the cross-linked peptide yielded individual constituent peptides using MALDI-MS and MALDI-MS/MS, showing specific 1,4-elimination for the thiosuccinimide form and cleavage at the newly formed peptide bond via transcyclization for the thiazine form.PMID:38124166 | DOI:10.1002/rcm.9660 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Luis Javier Gonz ález Satomy Pousa Hironobu Hojo Shio Watanabe Daisuke Higo Alina Rodriguez Mallon Toshifumi Takao Source Type: research

Identification of degradation products of brivaracetam using liquid chromatography quadrupole time-of-flight tandem mass spectrometry: Degradation pathway elucidation
CONCLUSION: The study developed an analytical method for brivaracetam that enabled the effective detection and separation of brivaracetam and its 13 degradation products. This method addresses a gap in both current domestic and foreign drug standards. The structures of all the major degradation products were characterized by high-resolution LC/QTOFMS, which is essential for quality control during the drug production process, stability evaluation and the establishment of proper storage conditions.PMID:38124167 | DOI:10.1002/rcm.9651 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Kehui Xu Manru Ning Wenqi Li Haijuan Dong Yuting Lu Taijun Hang Min Song Source Type: research

Using sulfur stable isotope ratios ( δ < sup > 34 < /sup > S) for animal geolocation: Estimating the delay mechanisms between diet ingestion and isotope incorporation in tail hair
CONCLUSION: Our findings help to unravel the underlying complexities associated with sulfur metabolism and are broadly consistent with results from other species. These findings will help to inform research aiming to apply the variation of δ34 S in inert biological material for geolocation or understanding dietary changes, especially for fast moving migratory ungulates such as wildebeest.PMID:38124168 | DOI:10.1002/rcm.9674 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Zabibu Kabalika Daniel T Haydon Rona A R McGill Juan M Morales Thomas A Morrison Jason Newton J Grant C Hopcraft Source Type: research

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
CONCLUSION: Molecular docking studies substantiated the substantial affinity between the TFXXD bioactive constituents and their corresponding targets in the context of IO. TFXXD exerts its therapeutic efficacy in IO through a multifaceted interplay between multiple compounds, targets, and pathways. The integration of network pharmacology with UPLC-Q-Orbitrap-MS/MS has emerged as a promising strategy to unravel the intricate web of molecular interactions underlying herbal medicine. However, it is imperative to emphasize the necessity for further in vivo and in vitro experiments.PMID:38124169 | DOI:10.1002/rcm.9664 (Source: ...
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Liting Ma Yongxi Wu Jing Luo Fangtong Li Meiyu Zhang Yongyu Cai Yulin Dai Zifeng Pi Fei Zheng Hao Yue Source Type: research

A passive method for sampling water in the soil-plant-atmosphere continuum for stable hydrogen and oxygen isotope analyses
CONCLUSIONS: The CaCl2 -H2 O absorption (passive) method requires very limited logistics in the field facilitating spatial and temporal water vapor/water sampling from atmosphere and soil at low resolution (i.e. average of 3-5 days). Moreover, it allows high sample throughput for the extraction of plant water in the laboratory. The reproducibility of this method is similar to the analytical uncertainty in mass spectrometry analyses.PMID:38124170 | DOI:10.1002/rcm.9646 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Mohammed I El-Shenawy Daniel Herwartz Michael Staubwasser Source Type: research

Development of in situ Li isotope analysis using laser ablation quadrupole inductively coupled plasma mass spectrometry
CONCLUSION: Lithium isotope analysis by ns-LA-QICPMS is worthwhile for samples with high Li concentrations and when a matrix-matched standard can be obtained. Although the precision of this method is not as high as those achievable with SIMS and LA-MC-ICPMS, it remains adequate for resolving large isotope fractionations found in natural and laboratory settings.PMID:38124171 | DOI:10.1002/rcm.9668 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Xuefei Fan Corliss Kin I Sio Xu Chu Hehe Jiang Source Type: research

Comparison of δ < sup > 13 < /sup > C analyses of individual foraminifer (Orbulina universa) shells by secondary ion mass spectrometry and gas source mass spectrometry
CONCLUSIONS: The noted Δ13 CSIMS-GSMS values are most likely due to matrix effects causing sample-standard mismatch for SIMS analyses but may also be a combination of other factors such as SIMS measurement of chemically bound water. The volume of material analyzed via SIMS is ~105 times smaller than that analyzed by GSMS; hence, the extent to which these Δ13 CSIMS-GSMS values represent differences in analyte or instrument factors remains unclear.PMID:38124172 | DOI:10.1002/rcm.9658 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Jody B Wycech Daniel Clay Kelly Reinhard Kozdon Akizumi Ishida Kouki Kitajima Howard J Spero John W Valley Source Type: research

Liquid chromatography-mass spectrometry-based metabolomics and fluxomics reveals the metabolic alterations in glioma U87MG multicellular tumor spheroids versus two-dimensional cell cultures
CONCLUSIONS: Our study highlights specific, altered biochemical pathways in MCTSs, emphasizing dysregulation of energy metabolism and lipid metabolism, and offering novel insight into metabolic events in glioma MCTSs.PMID:38124173 | DOI:10.1002/rcm.9670 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Shanjing Wen Xinyi Tu Qingce Zang Ying Zhu Limei Li Ruiping Zhang Zeper Abliz Source Type: research

Doping control approach: Identification of equine in vitro metabolites of voxelotor (GBT440), a hemoglobin S polymerization inhibitor
CONCLUSIONS: The data acquired will accelerate the identification of voxelotor and related compounds, aiding in the detection of their illicit use in competitive sports. It is crucial to emphasize that the metabolites detailed in this manuscript were identified through in vitro experiments and their detection in an in vivo study may not be guaranteed.PMID:38124165 | DOI:10.1002/rcm.9671 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Michael Benedict Subhahar Abdul Khader Karakka Kal Moses Philip Meleparappil Muhammed Ajeebsanu Tajudheen K Karatt Zubair Perwad Source Type: research

Differentiation of isobaric cross-linked peptides prepared via maleimide chemistry using MALDI-MS and MS/MS
CONCLUSIONS: The thiosuccinimide (but not thiazine) form of the cross-linked peptide yielded individual constituent peptides using MALDI-MS and MALDI-MS/MS, showing specific 1,4-elimination for the thiosuccinimide form and cleavage at the newly formed peptide bond via transcyclization for the thiazine form.PMID:38124166 | DOI:10.1002/rcm.9660 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Luis Javier Gonz ález Satomy Pousa Hironobu Hojo Shio Watanabe Daisuke Higo Alina Rodriguez Mallon Toshifumi Takao Source Type: research

Identification of degradation products of brivaracetam using liquid chromatography quadrupole time-of-flight tandem mass spectrometry: Degradation pathway elucidation
CONCLUSION: The study developed an analytical method for brivaracetam that enabled the effective detection and separation of brivaracetam and its 13 degradation products. This method addresses a gap in both current domestic and foreign drug standards. The structures of all the major degradation products were characterized by high-resolution LC/QTOFMS, which is essential for quality control during the drug production process, stability evaluation and the establishment of proper storage conditions.PMID:38124167 | DOI:10.1002/rcm.9651 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Kehui Xu Manru Ning Wenqi Li Haijuan Dong Yuting Lu Taijun Hang Min Song Source Type: research

Using sulfur stable isotope ratios ( δ < sup > 34 < /sup > S) for animal geolocation: Estimating the delay mechanisms between diet ingestion and isotope incorporation in tail hair
CONCLUSION: Our findings help to unravel the underlying complexities associated with sulfur metabolism and are broadly consistent with results from other species. These findings will help to inform research aiming to apply the variation of δ34 S in inert biological material for geolocation or understanding dietary changes, especially for fast moving migratory ungulates such as wildebeest.PMID:38124168 | DOI:10.1002/rcm.9674 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Zabibu Kabalika Daniel T Haydon Rona A R McGill Juan M Morales Thomas A Morrison Jason Newton J Grant C Hopcraft Source Type: research

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
CONCLUSION: Molecular docking studies substantiated the substantial affinity between the TFXXD bioactive constituents and their corresponding targets in the context of IO. TFXXD exerts its therapeutic efficacy in IO through a multifaceted interplay between multiple compounds, targets, and pathways. The integration of network pharmacology with UPLC-Q-Orbitrap-MS/MS has emerged as a promising strategy to unravel the intricate web of molecular interactions underlying herbal medicine. However, it is imperative to emphasize the necessity for further in vivo and in vitro experiments.PMID:38124169 | DOI:10.1002/rcm.9664 (Source: ...
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Liting Ma Yongxi Wu Jing Luo Fangtong Li Meiyu Zhang Yongyu Cai Yulin Dai Zifeng Pi Fei Zheng Hao Yue Source Type: research

A passive method for sampling water in the soil-plant-atmosphere continuum for stable hydrogen and oxygen isotope analyses
CONCLUSIONS: The CaCl2 -H2 O absorption (passive) method requires very limited logistics in the field facilitating spatial and temporal water vapor/water sampling from atmosphere and soil at low resolution (i.e. average of 3-5 days). Moreover, it allows high sample throughput for the extraction of plant water in the laboratory. The reproducibility of this method is similar to the analytical uncertainty in mass spectrometry analyses.PMID:38124170 | DOI:10.1002/rcm.9646 (Source: Rapid Communications in Mass Spectrometry : RCM)
Source: Rapid Communications in Mass Spectrometry : RCM - December 21, 2023 Category: Chemistry Authors: Mohammed I El-Shenawy Daniel Herwartz Michael Staubwasser Source Type: research