Dataset of volatile organic compound emission patterns from flowers and damaged leaves recorded with gas-chromatography coupled ion mobility spectrometry.

Plants emit a range of volatile organic compounds (VOCs) as a way of interacting with their biotic and abiotic surroundings. These VOCs can have various ecological functions, such as attracting pollinators, repelling herbivores, or may be emitted in response to abiotic stress. For the present dataset, we used gas chromatography coupled ion mobility spectrometry (GC-IMS) to analyse the VOCs emitted by different plant species under controlled conditions.

Evaluation of floral volatile patterns in the genus using gas chromatography-coupled ion mobility spectrometry.

Premise: Daffodils (, Amaryllidaceae) are iconic ornamentals with a complex floral biology and many fragrant species; however, little is known about floral plant volatile organic compounds (pVOCs) across the genus and additional sampling is desirable. The present study investigates whether the floral scent of 20 species of can be characterized using gas chromatographycoupled ion mobility spectrometry (GC-IMS), with the aim of building a comparative pVOC data set for ecological and evolutionary studies.

Methods: We used a commercial GC-IMS equipped with an integrated in-line enrichment system for a fast, sensitive, and automated pVOC analysis.

Blood Culture Headspace Gas Analysis Enables Early Detection of Bacteremia in an Animal Model of Sepsis.

(1) Background: Automated blood culture headspace analysis for the detection of volatile organic compounds of microbial origin (mVOC) could be a non-invasive method for bedside rapid pathogen identification. We investigated whether analyzing the gaseous headspace of blood culture (BC) bottles through gas chromatography-ion mobility spectrometry (GC-IMS) enables differentiation of infected and non-infected; (2) Methods: BC were gained out of a rabbit model, with sepsis induced by intravenous administration of E. coli (EC group; n = 6) and control group (n = 6) receiving sterile LB medium intravenously.

Detection of illegal treatment of table tennis rackets using gas chromatography coupled to ion mobility spectrometry - A feasibility study.

In all professional sports, performance pressure is high at the top level. Therefore, rules are defined and controlled to keep sports fair in accordance e.g.

Stepwise optimization of a Flexible Microtube Plasma (FµTP) as an ionization source for Ion Mobility Spectrometry.

The ionization source is the central system of analytical devices such as mass spectrometers or ion mobility spectrometers. In this study, a recently developed flexible microtube plasma (FμTP) is applied as an ionization source for a custom-made drift tube ion mobility spectrometer (IMS) for the first time. The FµTP is based on a highly miniaturized, robust and a small-footprint dielectric barrier discharge design with an outstanding ionization efficiency.

Detection of axillary perspiration metabolites using ion mobility spectrometry coupled to rapid gas chromatography.

The composition of human sweat-and as a consequence the composition of volatiles released from human skin-strongly depends on genetic preconditions, diet, stress, personal hygiene but also on health status and medication. Accordingly, the composition is a carrier of information on the physical and mental states of a person. Therefore, rapid on-site analysis of the relevant substances may be used for medical diagnosis and medication control or even for psychological characterisation.

GC-IMS headspace analyses allow early recognition of bacterial growth and rapid pathogen differentiation in standard blood cultures.

Outcome of patients with blood stream infections (BSI) depends on the rapid initiation of adequate antibiotic therapy, which relies on the fast and reliable identification of the underlying pathogen. Blood cultures (BC) using CO-sensitive colorimetric indicators and subsequent microbiological culturing are the diagnostic gold standard but turnaround times range between 24 and 48 h. The detection of volatile organic compounds of microbial origin (mVOC) has been described as a feasible method for identifying microbial growth and to differentiate between several microbial species.

Detecting Early Markers of Ventilator-Associated Pneumonia by Analysis of Exhaled Gas.

Objectives: The detection of microbial volatile organic compounds or host response markers in the exhaled gas could give an earlier diagnosis of ventilator-associated pneumonia. Gas chromatography-ion mobility spectrometry enables noninvasive, rapid, and sensitive analysis of exhaled gas. Using a rabbit model of ventilator-associated pneumonia we determined if gas chromatography-ion mobility spectrometry is able to detect 1) ventilator-associated pneumonia specific changes and 2) bacterial species-specific changes in the exhaled gas.

Hyphenation of a MEMS based pre-concentrator and GC-IMS.

A micro-electro-mechanical system (MEMS) based pre-concentrator filled with a standard Tenax TA adsorbent as well as with a synthetic receptor designed to adsorb 3-hydroxy-3-methylhexanoic acid (3H3MHA), a particular metabolite only available from human beings, was adapted to a custom made ion mobility spectrometer with gas-chromatographic pre-separation (GC-IMS). This combination was compared to a traditional sample loop GC-IMS. The application of a pre-concentrator is highly beneficial for the GC-IMS as analysing technique.

Flexible Microtube Plasma (FμTP) as an Embedded Ionization Source for a Microchip Mass Spectrometer Interface.

Dielectric barrier discharges are used as soft ionization sources for mass spectrometers or ion mobility spectrometers, enabling excellent possibilities for analytical applications. A new robust and small-footprint discharge design, flexible microtube plasma (FμTP), developed as a result of ongoing miniaturization and electrode design processes, is presented in this work. This design provides major safety benefits by fitting the electrode into an inert flexible fused silica capillary (tube).

On the potential of ion mobility spectrometry coupled to GC pre-separation - A tutorial.

In this tutorial, we want to demonstrate the significant potential of ion mobility spectrometry (IMS), an analytical technique for identification and quantification of gas-phase compounds, in particular combined to other useful analytical tools. Coupled to gas-chromatographic pre-separation (GC-IMS), selectivity can be improved significantly, thus enabling the analysis of complex, humid mixtures. In-line pre-concentration can improve sensitivity down to the ppq range.

Smell the change: On the potential of gas-chromatographic ion mobility spectrometry in ecosystem monitoring.

Plant volatile organic compounds (pVOCs) are being recognized as an important factor in plant-environment interactions. Both the type and amount of the emissions appear to be heavily affected by climate change. A range of studies therefore has been directed toward understanding pVOC emissions, mostly under laboratory conditions (branch/leaf enclosure).

Coupling laser desorption with gas chromatography and ion mobility spectrometry for improved olive oil characterisation.

The investigation of volatile compounds in the headspace of liquid samples can often be used for detailed and non-destructive characterisation of the sample. This has great potential for process control or the characterisation of food samples, such as olive oil. We investigated, for the first time, the plume of substances released from olive oil droplets by laser desorption in a feasibility study and applied ion mobility spectrometry coupled to rapid GC pre-separation to enhance selectivity.

Medium Vacuum Electron Emitter as Soft Atmospheric Pressure Chemical Ionization Source for Organic Molecules.

An electron emitter as a soft atmospheric pressure chemical ionization source is presented, which operates at inner pressures of the device in the medium vacuum range (>10(-3) hPa). Conventional nonradioactive electron emitters require high vacuum (<10(-6) hPa) to prevent electrical sparkovers. The emitter presented here contains structural modifications of an existing setup, which inhibits electrical breakdowns up to 10(-2) hPa at 8 kV acceleration voltage.

Multi-capillary column-ion mobility spectrometry (MCC-IMS) as a new method for the quantification of occupational exposure to sevoflurane in anaesthesia workplaces: an observational feasibility study.

Background: Occupational exposure to sevoflurane has the potential to cause health damage in hospital personnel. Workplace contamination with the substance mostly is assessed by using photoacoustic infrared spectrometry with detection limits of 10 ppbv. Multi-capillary column-ion mobility spectrometry (MCC-IMS) could be an alternative technology for the quantification of sevoflurane in the room air and could be even more accurate because of potentially lower detection limits.

Dynamic vapor generator that simulates transient odor emissions of victims entrapped in the voids of collapsed buildings.

The design, development, and validation of a dynamic vapor generator are presented. The generator simulates human scent (odor) emissions from trapped victims in the voids of collapsed buildings. The validation of the device was carried out using a reference detector: a quadrupole mass spectrometer equipped with a pulsed sampling (PS-MS) system.

Monte Carlo simulation of ion trajectories of reacting chemical systems: mobility of small water clusters in ion mobility spectrometry.

For the comprehensive simulation of ion trajectories including reactive collisions at elevated pressure conditions, a chemical reaction simulation (RS) extension to the popular SIMION software package was developed, which is based on the Monte Carlo statistical approach. The RS extension is of particular interest to SIMION users who wish to simulate ion trajectories in collision dominated environments such as atmospheric pressure ion sources, ion guides (e.g.

Detection of metabolites of trapped humans using ion mobility spectrometry coupled with gas chromatography.

For the first time, ion mobility spectrometry coupled with rapid gas chromatography, using multicapillary columns, was applied for the development of a pattern of signs of life for the localization of entrapped victims after disaster events (e.g., earthquake, terroristic attack).

Volatile organic compounds in uremia.

Background: Although "uremic fetor" has long been felt to be diagnostic of renal failure, the compounds exhaled in uremia remain largely unknown so far. The present work investigates whether breath analysis by ion mobility spectrometry can be used for the identification of volatile organic compounds retained in uremia.

Methods: Breath analysis was performed in 28 adults with an eGFR ≥ 60 ml/min per 1.

Ion mobility spectrometry for microbial volatile organic compounds: a new identification tool for human pathogenic bacteria.

Presently, 2 to 4 days elapse between sampling at infection suspicion and result of microbial diagnostics. This delay for the identification of pathogens causes quite often a late and/or inappropriate initiation of therapy for patients suffering from infections. Bad outcome and high hospitalization costs are the consequences of these currently existing limited pathogen identification possibilities.

The trapped human experiment.

This experiment observed the evolution of metabolite plumes from a human trapped in a simulation of a collapsed building. Ten participants took it in turns over five days to lie in a simulation of a collapsed building and eight of them completed the 6 h protocol while their breath, sweat and skin metabolites were passed through a simulation of a collapsed glass-clad reinforced-concrete building. Safety, welfare and environmental parameters were monitored continuously, and active adsorbent sampling for thermal desorption GC-MS, on-line and embedded CO, CO(2) and O(2) monitoring, aspirating ion mobility spectrometry with integrated semiconductor gas sensors, direct injection GC-ion mobility spectrometry, active sampling thermal desorption GC-differential mobility spectrometry and a prototype remote early detection system for survivor location were used to monitor the evolution of the metabolite plumes that were generated.

Comparison of metabolites in exhaled breath and bronchoalveolar lavage fluid samples in a mouse model of asthma.

Background: A multi-capillary column ion mobility spectrometer (MCC/IMS) was developed to provide a method for the noninvasive diagnosis of lung diseases. The possibility of measuring the exhaled breath of mice was evaluated previously. The aim of the present study was to reveal whether mice affected by airway inflammation can be identified via MCC/IMS.

Web2.0 paves new ways for collaborative and exploratory analysis of chemical compounds in spectrometry data.

In nowadays life science projects, sharing data and data interpretation is becoming increasingly important. This considerably calls for novel information technology approaches, which enable the integration of expert knowledge from different disciplines in combination with advanced data analysis facilities in a collaborative manner. Since the recent development of web technologies offers scientific communities new ways for cooperation and communication, we propose a fully web-based software approach for the collaborative analysis of bioimage data and demonstrate the applicability of Web2.

Detection of characteristic metabolites of Aspergillus fumigatus and Candida species using ion mobility spectrometry-metabolic profiling by volatile organic compounds.

Volatile metabolites of Aspergillus fumigatus and Candida species can be detected by gas chromatography/mass spectrometry (GC/MS). A multi-capillary column - ion mobility spectrometer (MCC-IMS) was used in this study to assess volatile organic compounds (VOCs) in the headspace above A. fumigatus and the four Candida species Candida albicans, Candida parapsilosis, Candida glabrata and Candida tropicalis in an innovative approach, validated for A.

Alignment of retention time obtained from multicapillary column gas chromatography used for VOC analysis with ion mobility spectrometry.

Multicapillary column (MCC) ion mobility spectrometers (IMS) are increasingly in demand for medical diagnosis, biological applications and process control. In a MCC-IMS, volatile compounds are differentiated by specific retention time and ion mobility when rapid preseparation techniques are applied, e.g.