Journal of chemical information and modeling
May 20, 2020
Non-targeted analysis provides a comprehensive approach to analyze environmental and biological samples for nearly all chemicals present. One of the main shortcomings of current analytical methods and workflows is that they are unable to provide any ...
Untargeted metabolomics based on liquid chromatography-mass spectrometry is affected by nonlinear batch effects, which cover up biological effects, result in nonreproducibility, and are difficult to be calibrate. In this study, we propose a novel dee...
Liquid chromatography coupled to high-resolution mass spectrometry (HRMS) enables data independent acquisition (DIA) and untargeted screening. However, to avoid the handling of the resulting large dataset, most laboratories in that field still use ta...
Food research international (Ottawa, Ont.)
Dec 30, 2019
Storey onion (Allium cepa L. var. proliferum Regel) is a variety of onion commonly grown in northern China that has not been researched in detail. This study aimed to identify the chemical compositions of storey onion aqueous extracts by UPLC-ESI-MS/...
Two novel compounds were isolated for the first time from Calycotome spinosa (L.) Link, an alkaloid 5-Hydroxy-1H-indole (4) and a cyclitol D-pinitol (5), together with the three well-known flavonoids; Chrysin-7-O-(β-D-glucopyranoside) (1), Chrysin-7-...
Absolute quantitation of IgG-1 Fc-glycosylation, which is crucial for the clinical practice of glyco-biomarkers and quality control of biopharmaceuticals, has been hindered by the lack of glycopeptide standards. In this study, eleven high abundant Ig...
Food research international (Ottawa, Ont.)
Dec 5, 2019
The phenolic compounds and aroma active compounds in feijoa (Acca sellowiana (O.Berg) Burret) juice from four New Zealand grown cultivars (Apollo, Unique, Opal Star, and Wiki Tu) were investigated. A high total phenolic content (maximum 1.89 mg GAE/m...
BACKGROUND: The anticoagulant actions of oral direct factor Xa (FXa) inhibitors can be inferred from their observed plasma concentrations; however, the steady-state pharmacokinetics (PK) of different FXa inhibitors have not been compared in clinicall...
Fast identification of microbial species in clinical samples is essential to provide an appropriate antibiotherapy to the patient and reduce the prescription of broad-spectrum antimicrobials leading to antibioresistances. MALDI-TOF-MS technology has ...
Liquid chromatography-mass spectrometry (LC-MS)-based metabolomics has emerged as a valuable tool for biological discovery, capable of assaying thousands of diverse chemical entities in a single biospecimen. Processing of nontargeted LC-MS spectral d...
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