Search results for "Electrospray Ionization"
showing 10 items of 275 documents
Stable adducts of nerve agents sarin, soman and cyclosarin with TRIS, TES and related buffer compounds—Characterization by LC-ESI-MS/MS and NMR and i…
2009
Abstract Buffering compounds like TRIS are frequently used in chemical, biochemical and biomedical applications to control pH in solution. One of the prerequisites of a buffer compound, in addition to sufficient buffering capacity and pH stability over time, is its non-reactivity with other constituents of the solution. This is especially important in the field of analytical chemistry where analytes are to be determined quantitatively. Investigating the enzymatic hydrolysis of G-type nerve agents sarin, soman and cyclosarin in buffered solution we have identified stable buffer adducts of TRIS, TES and other buffer compounds with the nerve agents. We identified the molecular structure of the…
Analysis of β2-agonists in cattle hair samples using a rapid UHPLC–ESI–MS/MS method
2016
A simple and efficient method was developed for simultaneous analysis of five illegal residual β2-agonists in cattle hair. β2-Agonists were quantified by ultra high performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry operating in positive multiple-reaction monitoring mode. The method was validated as quantitative confirmatory method according to the EU Decision 2002/657/EC: instrumental linearity, specificity, precision, recovery, decision limit (CCα) and detection capability (CCβ) were evaluated. The recovery were greater than 90% and the method appeared suitable for the control of these β2-agonists in cattle hair samples with LOQ values between …
Occurrence of selected antibiotics and antiretroviral drugs in Nairobi River Basin, Kenya.
2015
In this paper, we investigated the occurrence of three antibiotics (sulfamethoxazole, trimethoprim and ciprofloxacin) and three antiretroviral (lamivudine, nevirapine and zidovudine) drugs in the Nairobi River Basin, Kenya. The analytical procedure involved extraction using solid phase extraction followed by liquid chromatography-electrospray ionization tandem mass spectrometry (SPE-LC-ESI-MS/MS). In this study, 40 sites were selected for sampling, including 38 sites along the rivers and 2 wastewater treatment effluent sites. All the studied compounds were detected with sulfamethoxazole having the highest detection frequency of 97.5% and ciprofloxacin had the lowest at 60%. The results show…
NovelAmycolatopsis balhimycinabiochemical abilities unveiled by proteomics
2014
Amycolatopsis balhimycina DSM5908 is an actinomycete producer of balhimycin, an analogue of vancomycin, the antibiotic of ‘last resort’ against multidrug-resistant Gram-positive pathogens. Most knowledge on glycopeptide biosynthetic pathways comes from studies on A. balhimycina as this strain, among glycopeptide producers, is genetically more amenable. The recent availability of its genome sequence allowed to perform differential proteomic analyses elucidating key metabolic pathways leading to antibiotic production in different growth conditions. To implement proteomic data on A. balhimycina derived from 2-DE approaches and to identify novel components, a combined approach based on protein …
Purification method for the isolation of monophosphate nucleotides from Champagne wine and their identification by mass spectrometry
2001
Monophosphate nucleotides are difficult to identify in Champagne wine because they are present in small concentrations in a complex mixture. A method for the isolation, separation and identification of reference compounds, which achieved on average 79% recovery (except for cytidine derivatives), was developed and applied to wine. Some monophosphate nucleotides were then isolated from a Champagne wine aged on lees for 8 years, by ultrafiltration followed by a semi-preparative HPLC step using a strong anion-exchange column. The fraction obtained was subjected to HPLC in a reversed-phase column to remove the salt previously introduced, before identification of compounds by HPLC coupled to a ma…
Effects of the net charge on abundance and stability of supramolecular surfactant aggregates in gas phase
2011
Self-assembling of amphiphilic molecules under electrospray ionization (ESI) conditions is characterized by quite unexpected phenomenology. The noticeable differences with respect to the condensed phase are attributable to the absence of the surfactant-solvent interactions, the presence of net charge in the aggregates, and the strong deviation from equilibrium conditions. Aiming to investigate the effects of the net charge on abundance and stability of supramolecular surfactant aggregates, positively and negatively charged aggregates of sodium bis(2-ethylhexyl)sulfosuccinate (AOT) and sodium methane sulfonate (MetS), butane sulfonate (ButS) and octane sulfonate (OctS) have been studied by E…
Molecular dynamics of electrosprayed water nanodroplets containing sodium bis(2-ethylhexyl)sulfosuccinate
2013
The behavior of aqueous solutions of sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) subject to electrospray ionization (ESI) has been investigated by molecular dynamics (MD) simulations at three temperatures (350, 500 and 800 K). We consider several types of water nanodroplets containing AOTNa molecules and composed of a fixed number of water molecules (1000), N(AOT)(0) AOT(-) anions (N(AOT)(0) = 0, 5, 10) and N(Na)(0) sodium ions (N(Na)(0) = 0, 5, 10, 15, 20): in a short time scale (less than 1 ns), the AOTNa molecules, initially forming direct micelles in the interior of the water nanodroplets, are observed in all cases to diffuse nearby the nanodroplet surface, so that the hydrophilic …
Binding Profiles of Self-Assembled Supramolecular Cages from ESI-MS Based Methodology
2018
Confined molecular environments have peculiar characteristics that make their properties unique in the field of biological and chemical sciences. In recent years, advances in supramolecular capsule and cage synthesis have presented the possibility to interpret the principles behind their self‐assembly and functions, which has led to new molecular systems that display outstanding properties in molecular recognition and catalysis. Herein, we report a rapid method based on ESI‐MS to determine the binding profiles for linear saturated dicarboxylic acids in a series of different cages. The cages were obtained by self‐assembly of modified tris(pyridylmethyl)amine (TPMA) complexes and diamines cho…
Thermodynamic studies of iron(III) complex of some new dihydroxamic acids model of rhodotorulic acid
2018
Abstract The objective of this research is to elucidate the coordination chemistry and the structure of complexes formed with siderochelates organic ligands and the physico-chemical studies of iron(III) complexation. Three dihydroxamic acids synthesized ((LCyEt)2−, (LCyPr)2− and (LO)2−) mimicking a fungal siderophore, rhodotorulic acid. They were evaluated with iron(III) chelation by potentiometric and spectrophotometric titrations in 0.1 M KNO3. These measurements revealed the formation of dileptic and trileptic complexes in excess ligand conditions. The chemical model includes five species of [Fem(L)lHh](3m−2l+h)+ with general formula: [Fe(L)]+, [Fe(L)(OH)], [Fe(L)(OH)2]−, [Fe(L)2H] and […
Gas phase charged aggregates of bis(2-ethylhexyl)sulfosuccinate (AOT) and divalent metal ions: first evidence of AOT solvated aggregates
2011
Assembling and chelating properties of sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) towards divalent metal ions have been investigated in the gas phase by electrospray ionization mass spectrometry. A variety of positively charged monometallated and mixed metal aggregates are formed. Interestingly, several ions contain solvent (MeOH, H2O) molecules and constitute the most abundant AOT cationic aggregates not containing sodium. These species are the first example of solvated AOT-metal ion aggregates in the gas phase. By increasing the surfactant aggregation number, the abundance of solvated species becomes lower than that of unsolvated ones. Decompositions of ionic species have been studied…