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Thermodynamics of gaseous strontium and calcium cerates studied by Knudsen effusion mass spectrometry and estimation of relative electron ionization cross-section for CeO2(g)

Rapid communications in mass spectrometry, 2024-11, Vol.38 (21), p.e9894

2024

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Trapped and drift‐tube ion‐mobility spectrometry for the analysis of environmental contaminants: Comparability of collision cross‐section values and resolving power

Rapid communications in mass spectrometry, 2024-11, Vol.38 (21), p.e9901

2024

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Optimized liquid chromatography–tandem mass spectrometry protocol for enhanced detection of 45 pesticides in water and soil samples

Rapid communications in mass spectrometry, 2024-11, Vol.38 (21), p.e9904

2024

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Qualitative and quantitative characterization of elastin‐like polypeptides combining low‐PH/low‐temperature bottom‐up and intact protein liquid chromatography mass spectrometric analysis

Rapid communications in mass spectrometry, 2024-11, Vol.38 (21), p.e9905

2024

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Integration of high‐resolution mass spectrometry technology with molecular network analysis and systems biology techniques to elucidate the active ingredients and mechanisms of Shiduqing capsules

Rapid communications in mass spectrometry, 2024-11, Vol.38 (21), p.e9903

2024

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Metabolipidomic changes induced by dermal nickel penetration determined in an ex vivo porcine ear skin model

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9891-n/a

2024

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Accelerating wavepacket propagation with machine learning

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2360-2373

2024

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Crown ether dopant to reduce ion suppression and improve detection in the liquid microjunction surface sampling probe

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9889-n/a

2024

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Determination of three ephedrine psychoactive substances in sewage using solid‐phase extraction–ultra‐performance liquid chromatography–tandem mass spectrometry

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9877-n/a

2024

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Ion confinement and separation using asymmetric electrodynamic fields in structures for lossless ion manipulations

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9900-n/a

2024

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Predicting redox potentials by graph‐based machine learning methods

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2383-2396

2024

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Use of stable isotope combined with intact cell lipidomic by routine MALDI mass spectrometry analysis for rapid drug susceptibility assay in mycobacteria

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9888-n/a

2024

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Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2409-2423

2024

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Integrated network pharmacology and GC–MS‐based metabolomics to investigate the chemical profile and efficacy of Anemarrhenae Rhizoma and its processed products

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9893-n/a

2024

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Fast vibrational analysis of molecular systems

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2374-2382

2024

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Advancing structural elucidation of conjugation drug metabolites in metabolite profiling with novel electron‐activated dissociation

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9890-n/a

2024

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Exploring the influence of metal cations on individual hydrogen bonds in Watson–Crick guanine–cytosine DNA base pair: An interacting quantum atoms analysis

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2397-2408

2024

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Thermal electron attachment to halogenated silanes in the gas phase

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9897-n/a

2024

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Structural elucidation of tramadol, its derivatives, and metabolites using chemical derivatization and liquid chromatography–high‐resolution tandem mass spectrometry

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9881-n/a

2024

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Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental study

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2352-2359

2024

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Online LC‐Orbitrap MS method for the rapid molecular characterization of dissolved organic matter

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9885-n/a

2024

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Machine learning methods for compound annotation in non‐targeted mass spectrometry—A brief overview of fingerprinting, in silico fragmentation and de novo methods

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9876-n/a

2024

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Identification of active ingredients in Naomaitai capsules using high‐resolution mass spectrometry unite molecular network analysis and prediction of their action mechanisms

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9898-n/a

2024

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Identification, characterization, and in silico ADMET prediction of nirmatrelvir and its degradation products using HPLC‐PDA and LC‐QTOF‐MS/MS

Rapid communications in mass spectrometry, 2024-10, Vol.38 (20), p.e9896-n/a

2024

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Trace detection of styphnate from pre‐ and post‐blast samples by hydrophilic interaction chromatography with tandem mass spectrometry

Rapid communications in mass spectrometry, 2024-10, Vol.38 (19), p.e9882-n/a

2024

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Thermodynamics of gaseous strontium and calcium cerates studied by Knudsen effusion mass spectrometry and estimation of relative electron ionization cross-section for CeO2(g)

Trapped and drift‐tube ion‐mobility spectrometry for the analysis of environmental contaminants: Comparability of collision cross‐section values and resolving power

Optimized liquid chromatography–tandem mass spectrometry protocol for enhanced detection of 45 pesticides in water and soil samples

Qualitative and quantitative characterization of elastin‐like polypeptides combining low‐PH/low‐temperature bottom‐up and intact protein liquid chromatography mass spectrometric analysis

Integration of high‐resolution mass spectrometry technology with molecular network analysis and systems biology techniques to elucidate the active ingredients and mechanisms of Shiduqing capsules

Metabolipidomic changes induced by dermal nickel penetration determined in an ex vivo porcine ear skin model

Accelerating wavepacket propagation with machine learning

Crown ether dopant to reduce ion suppression and improve detection in the liquid microjunction surface sampling probe

Determination of three ephedrine psychoactive substances in sewage using solid‐phase extraction–ultra‐performance liquid chromatography–tandem mass spectrometry

Ion confinement and separation using asymmetric electrodynamic fields in structures for lossless ion manipulations

Predicting redox potentials by graph‐based machine learning methods

Use of stable isotope combined with intact cell lipidomic by routine MALDI mass spectrometry analysis for rapid drug susceptibility assay in mycobacteria

Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside

Integrated network pharmacology and GC–MS‐based metabolomics to investigate the chemical profile and efficacy of Anemarrhenae Rhizoma and its processed products

Fast vibrational analysis of molecular systems

Advancing structural elucidation of conjugation drug metabolites in metabolite profiling with novel electron‐activated dissociation

Exploring the influence of metal cations on individual hydrogen bonds in Watson–Crick guanine–cytosine DNA base pair: An interacting quantum atoms analysis

Thermal electron attachment to halogenated silanes in the gas phase

Structural elucidation of tramadol, its derivatives, and metabolites using chemical derivatization and liquid chromatography–high‐resolution tandem mass spectrometry

Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental study

Online LC‐Orbitrap MS method for the rapid molecular characterization of dissolved organic matter

Machine learning methods for compound annotation in non‐targeted mass spectrometry—A brief overview of fingerprinting, in silico fragmentation and de novo methods

Identification of active ingredients in Naomaitai capsules using high‐resolution mass spectrometry unite molecular network analysis and prediction of their action mechanisms

Identification, characterization, and in silico ADMET prediction of nirmatrelvir and its degradation products using HPLC‐PDA and LC‐QTOF‐MS/MS

Trace detection of styphnate from pre‐ and post‐blast samples by hydrophilic interaction chromatography with tandem mass spectrometry

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