Search results for "Ion mobility"
showing 10 items of 29 documents
La mobilità dei turisti in Sicilia: aspetti motivazionali e comportamentali.
2013
Separation of atomic and molecular ions by ion mobility with an RF carpet
2021
Gas-filled stopping cells are used at accelerator laboratories for the thermalization of high-energy radioactive ion beams. Common challenges of many stopping cells are a high molecular background of extracted ions and limitations of extraction efficiency due to space-charge effects. At the FRS Ion Catcher at GSI, a new technique for removal of ionized molecules prior to their extraction out of the stopping cell has been developed. This technique utilizes the RF carpet for the separation of atomic ions from molecular contaminant ions through their difference in ion mobility. Results from the successful implementation and test during an experiment with a 600~MeV/u $^{124}$Xe primary beam are…
Surprising solvent-induced structural rearrangements in large [N⋯I+⋯N] halogen-bonded supramolecular capsules
2018
Coordinative halogen bonds have recently gained interest for the assembly of supramolecular capsules. Ion mobility-mass spectrometry and theoretical calculations now reveal the well-defined gas-phase structures of dimeric and hexameric [N...I+...N] halogen-bonded capsules with counterions located inside their cavities as guests. The solution reactivity of the large hexameric capsule shows the intriguing solvent-dependent equilibrium between the hexamer and an unprecedented pentameric [N...I+...N] halogen-bonded capsule, when the solvent is changed from chloroform to dichloromethane. The intrinsic flexibility of the cavitands enables this novel structure to adopt a pseudo-trigonal bipyramida…
Anion-driven encapsulation of cationic guests inside pyridine[4]arene dimers
2019
Pyridine[4]arenes have previously been considered as anion binding hosts due to the electron-poor nature of the pyridine ring. Herein, we demonstrate the encapsulation of Me4N+ cations inside a dimeric hydrogen-bonded pyridine[4]arene capsule, which contradicts with earlier assumptions. The complexation of a cationic guest inside the pyridine[4]arene dimer has been detected and studied by multiple gas-phase techniques, ESI-QTOF-MS, IRMPD, and DT-IMMS experiments, as well as DFT calculations. The comparison of classical resorcinarenes with pyridinearenes by MS and NMR experiments reveals clear differences in their host–guest chemistry and implies that cation encapsulation in pyridine[4]arene…
Ion mobility mass spectrometry – an efficient tool for the analysis of conformational switch of macrocyclic receptors upon anion binding
2021
Interactions between anions and synthetic macrocyclic receptors belong to the extensively explored area of research due to the particularly important functions of anions in biological and environmental sciences. Structures of anion-macrocycle complexes are closely related to their function, highlighting the importance of structural analysis of the complexes. Here, we discuss the application of ion mobility mass spectrometry (IM-MS) and theoretical calculations to the structural analysis of tetralactam macrocycles (M) with varying flexibility and structural properties, and their complexes with anions [M + X]−. Collision cross section (CCS) values obtained from both direct drift tube (DT) and…
Label-free profiling of skeletal muscle using high-definition mass spectrometry
2014
We report automated and time efficient (2 h per sample) profiling of muscle using ultra-performance liquid chromatography (LC) coupled directly with high-definition mass spectrometry (HDMSE). Soluble proteins extracted from rat gastrocnemius (n=10) were digested with trypsin and analysed in duplicate using a 90 min RPLC gradient. Protein identification and label-free quantitation were performed from HDMSE spectra analysed using TransOmics Informatics for Proteomics software. In total 1,514 proteins were identified. Of these, 811 had at least 3 unique peptides and were subsequently used to assess the dynamic range and precision of LC-HDMSE label-free profiling. Proteins analysed by LC-HDMSE …
OpenTIMS, TimsPy, and TimsR: Open and Easy Access to timsTOF Raw Data
2021
The Bruker timsTOF Pro is an instrument that couples trapped ion mobility spectrometry (TIMS) to high-resolution time-of-flight (TOF) mass spectrometry (MS). For proteomics, lipidomics, and metabolomics applications, the instrument is typically interfaced with a liquid chromatography (LC) system. The resulting LC-TIMS-MS data sets are, in general, several gigabytes in size and are stored in the proprietary Bruker Tims data format (TDF). The raw data can be accessed using proprietary binaries in C, C++, and Python on Windows and Linux operating systems. Here we introduce a suite of computer programs for data accession, including OpenTIMS, TimsR, and TimsPy. OpenTIMS is a C++ library capable …
Tracking cruise passengers' consumption: An analysis of the relationships between onshore mobility and expenditure
2022
This paper analyzes the relationships between the spatial behaviour and destination expenditures of cruise tourists by integrating customer surveys and GPS tracking technology. Based on data collated in 2018 and 2019 in Copenhagen, cruise passenger expenditure was modelled via logistic regression, using socio-demographic characteristics and mobility-related variables. In order to map the spatial behaviour and the key characteristics of the itinerary followed, tracking data were synthesized into meaningful mobility variables. An analysis of stops was performed to identify locations with the potential highest expenditure density. The results indicated that spatial movement and, in particular,…
Unveiling anion-induced folding in tripodal imidazolium receptors by ion-mobility mass spectrometry.
2021
The anion-induced folding of tripodal imidazolium receptors has been investigated by NMR spectroscopy, electrospray ionization ion mobility mass spectrometry and DFT calculations. Such folding can be switched by anion release upon collision induced dissociation.
Determination of the new psychoactive substance dichloropane in saliva by microextraction by packed sorbent – Ion mobility spectrometry
2018
Abstract A simple procedure based on microextraction by packed sorbent (MEPS) has been proposed for the extraction of dichloropane in oral fluids and its determination by ion mobility spectrometry (IMS). Extraction conditions such as type of sorbent (octyl and octadecyl silica), sample pH, number of sample loadings, and elution volume were evaluated to obtain the most appropriate values. Dichloropane was extracted from saliva samples using C8 MEPS, loading with 100 μL sample (adjusted to pH 7) in 4 cycles, washing with 100 μL deionized water, and eluting with 50 μL 2-propanol in 10 cycles. The proposed MEPS procedure has been validated in terms of linearity, accuracy, and precision. A limit…