In this series of two papers, 192 doping agents belonging to the classes stimulants, narcotics, cannabinoids, diuretics, β2-agonists, β-blockers, anabolic agents, and hormone metabolic modulators were investigated, with aim assess benefits limitations ion mobility spectrometry (IMS) in combination ultra-high performance liquid chromatography (UHPLC) high resolution mass (HRMS) anti-doping analy...

The aim of this work was to expand the applicability range UHPSFC series synthetic and commercialized peptides. Initially, a screening different column chemistries available for analysis performed, in combination with additives either basic or acidic nature. an additive (13 mM TFA) stationary phase (Torus DEA 2-PIC) found be best six peptides possessing acidic, neutral isoelectric points. Secon...

Ochratoxin A (OTA), one of the most toxic mycotoxins, can contaminate a wide range of food and feedstuff. To date, the data on its conjugates via glucuronidation request clarification and consolidation. In the present study, the combined approaches of ultra high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS), UHPLC-Orbitrap-high resolution mass spectrometry (HRMS) and ...

The Agilent 1260 Infi nity Hybrid SFC/UHPLC System offers a fast, reliable, green, robust, and cost-effective solution by coupling the advantages of HPLC and the benefi ts of supercritical fl uid chromatography (SFC). This Application Note describes the conversion of the United States Pharmacopeia (USP) normal-phase HPLC method for cholecalciferol assay to an SFC method using serially coupled c...

An UHPLC-PDA-ESI/HRMS(n) profiling method was used to identify the glucosinolates and flavonoids of Rorippa indica (Cruciferae), a wild vegetable and Chinese herb used to treat cough, diarrhea, and rheumatoid arthritis. Thirty-three glucosinolates, more than 40 flavonol glycosides, and 18 other phenolic and common organic compounds were identified. The glucosinolates and polyphenols were separa...

A sensitive and selective method is needed to analyse in situ produced vitamin B12 in plant-based materials, potential new dietary sources of vitamin B12. A UHPLC/UV method was developed and validated for the determination of human active vitamin B12 in cell extracts of Propionibacterium freudenreichii subsp. shermanii and after immunoaffinity purification in extracts of cereal matrices ferment...

Argonaute (Ago) proteins and microRNAs (miRNAs) are central components in RNA interference, which is a key cellular mechanism for sequence-specific gene silencing. Despite intensive studies, molecular mechanisms of how Ago recognizes miRNA remain largely elusive. In this study, we propose a two-step mechanism for this molecular recognition: selective binding followed by structural re-arrangemen...

Stir bar sorptive extraction followed by liquid desorption and high performance liquid chromatography with tandem mass spectrometry (SBSE-LD-LC-MSMS) has been developed for the determination of 15 pesticides or selected metabolites from different families (herbicides, insecticides, fungicides) in surface water samples. The optimization of parameters that could influence SBSE-LD efficiency was c...

Markov state models (MSMs) have become a popular approach for investigating the conformational dynamics of proteins and other biomolecules. MSMs are typically built from numerous molecular dynamics simulations by dividing the sampled configurations into a large number of microstates based on geometric criteria. The resulting microstate model can then be coarse-grained into a more understandable...