Refine
Year of publication
Document Type
- Conference Proceeding (68)
- Article (67)
- Part of a Book (12)
- Report (11)
- Doctoral Thesis (4)
- Book (2)
- Working Paper (2)
- Other (1)
Institute
- Forschungszentrum Business Informatics (167) (remove)
Is part of the Bibliography
- yes (167)
Keywords
- Evolution Strategies (5)
- Volatile organic compounds (5)
- Constrained Optimization (4)
- Stress testing (4)
- Evolution strategies (3)
- Evolution strategy (3)
- Fragmentation patterns (3)
- Global optimization (3)
- Humans (3)
- Optimization (3)
- Rastrigin function (3)
- Risk measures (3)
- Scenario analysis (3)
- evolution strategies (3)
- Aldehydes (2)
- Artificial Intelligence (incl. Robotics) (2)
- Breath gas analysis (2)
- Computational Intelligence (2)
- Computer Communication Networks (2)
- Covariance matrices (2)
- Data science (2)
- Engineering Economics, Organization, Logistics, Marketing (2)
- Gas Chromatography-Mass Spectrometry (2)
- Information Systems Applications (incl. Internet) (2)
- Male (2)
- Mathematical model (2)
- Minimization (2)
- Model risk (2)
- Multiple priors (2)
- NO+ reactions (2)
- PTR-MS (2)
- Progress rate (2)
- Relative entropy (2)
- SME (2)
- SRI-TOF-MS (2)
- Supply Chain Management (2)
- Systemic risk (2)
- Theoretical Analysis (2)
- VOCs (2)
- Value co-creation (2)
- Worst case (2)
- conically constrained problem (2)
- constrained optimization (2)
- elliptic constraint (2)
- hyperbolic constraint (2)
- meta-es (2)
- mutation strength (2)
- parabolic constraint (2)
- repair by projection (2)
- wind energy (2)
- +WAA 300 (1)
- +WBF 270 (1)
- +WBH 725 (1)
- 35P05, 34L40 (Primary) 34B20, 34B24 (Secondary) (1)
- 92C35 (1)
- 92C45 (1)
- 93B07 (1)
- 93C10 (1)
- Acetone (1)
- Active matrix adaptation evolution strategy (1)
- Adult (1)
- Agent based modeling (1)
- Air (1)
- Alkanes (1)
- Alkenes (1)
- Alternative routing (1)
- Anaesthetics (1)
- Anesthesia (1)
- Animals (1)
- Anonymizing recorded tracks (1)
- Application (1)
- Applications of Mathematics (1)
- Asset pricing (1)
- Authentication (1)
- Automatic Analyse Framework (1)
- Automobilindustrie (1)
- Benchmarking (1)
- Biochemistry, general (1)
- Biomarker (1)
- Biomedical monitoring (1)
- Biophysics and Biological Physics (1)
- Biotechnology (1)
- Black-box Optimization (1)
- Black-box optimization benchmarking (1)
- Blockchain (1)
- Blood (1)
- Blood analysis (1)
- Brain modeling (1)
- Breath Tests (1)
- Breath analysis (1)
- Bregman distance (1)
- Bregman distance ball (1)
- Business Information Systems (1)
- Cardiac Output (1)
- Cell Biology (1)
- Cell Line (1)
- Code Execution (1)
- Collaboration (1)
- Collaborative models (1)
- Communications Engineering, Networks (1)
- Computer Simulation (1)
- Computer System Implementation (1)
- Computer Systems Organization and Communication Networks (1)
- Computing methodologies (1)
- Conically constrained problem (1)
- Constrained optimization (1)
- Constraint Handling (1)
- Constraints (1)
- Continuous mathematics (1)
- Controlling : Allgemeines (1)
- Convex functions (1)
- Credit risk (1)
- Customs (1)
- Cyber-Physical Systems (1)
- D/H isotopic exchange (1)
- Data Mining and Knowledge Discovery (1)
- Data Sharing (1)
- Data models (1)
- Data visualization (1)
- Database Management (1)
- Databases (1)
- Deuterated volatile organic compounds (1)
- Didactics (1)
- Digital Business Ecosystems (1)
- Digital Ecosystems (1)
- Digital Transformation (1)
- Digital collaboration tools (1)
- Digitale Transformation (1)
- Digitale Ökosysteme (1)
- Digitisation (1)
- Distributed computing (1)
- Double auction (1)
- Duchenne muscular dystrophy (1)
- Dynamic systems (1)
- EC2 compatible cloud infrastructures (1)
- ESG (1)
- Earthquake (1)
- Electrical Engineering (1)
- Electronic mail (1)
- Ellipsoid model (1)
- Emission rate (1)
- End-stage renal disease (1)
- Entrapment (1)
- Entrapped victims (1)
- Entrepreneurship (1)
- Entropy (1)
- Evolution (biology) (1)
- Evolutionary Algorithms (1)
- Evolutionary algorithms (1)
- Execution environment (1)
- Exhalation (1)
- Exhaled breath analysis (1)
- Female (1)
- Financial institutions (1)
- Financial services (1)
- Finanzwirtschaft (1)
- Fire sales (1)
- Food Industry (1)
- Füllbildsimulation (1)
- GC–MS (1)
- Gaussian distribution (1)
- HOreactions (1)
- HUVEC (1)
- Halogenated ethers (1)
- HappyCat (1)
- Hemodialysis (1)
- Heterocyclic compounds (1)
- Human odor (1)
- Human scent (1)
- Human skin emanation (1)
- Human volatilome (1)
- I-divergence ball (1)
- IP networks (1)
- Image Processing and Computer Vision (1)
- Industrie 4.0K (1)
- Industry 4.0 (1)
- Information Security (1)
- Information Systems and Communication Service (1)
- Injection molding (1)
- Innovation management (1)
- Intrapreneurship (1)
- Isoflurane (1)
- Isoprene (1)
- KMU (1)
- Kerberos-based security concept (1)
- Levenberg-Marquardt algorithm (1)
- Leverage (1)
- Limit of Detection (1)
- Linear programming (1)
- Machine Learning (1)
- Machine learning (1)
- Manganese (1)
- Mathematical Physics (1)
- Mathematical and Computational Biology (1)
- Mathematics - Spectral Theory (1)
- Mathematics of computing (1)
- Matrix adaptation evolution strategy (1)
- Maximum loss (1)
- Meta evolution strategies (1)
- Middle Aged (1)
- Modeling (1)
- Models, Biological (1)
- Monitoring (1)
- Multimedia Information Systems (1)
- Muscle (1)
- Muscle Cells (1)
- Muscle, Skeletal (1)
- Mutation strength adaptation (1)
- Nanotechnology (1)
- Natural Language Processing (1)
- Needle trap (1)
- Open innovation (1)
- PTR-TOF-MS (1)
- PTR-ToF-MS (1)
- Parallel computing (1)
- Pharmacokinetics (1)
- Pharmacology/Toxicology (1)
- Pilot Projects (1)
- Problem Solving Environment (1)
- Product Safety Risk (1)
- Product design (1)
- Production/Logistics (1)
- Production/Logistics/Supply Chain Management (1)
- Progress rate analysis (1)
- Quadruple helix (1)
- Quadruple helix clusters (1)
- Quantum Information Technology, Spintronics (1)
- Random variables (1)
- Rapid service prototyping (1)
- Rats (1)
- Ray-ES algorithm (1)
- Release (1)
- Repair by projection (1)
- Reproducibility of Results (1)
- Rotated Klee-Minty Problem (1)
- SPME-GCMS (1)
- Scientific Data Preservation (1)
- Scientific Dataspace (1)
- Search and rescue operation (1)
- Search problems (1)
- Self-Adaptation (1)
- Self-Organisation (1)
- Servers (1)
- Service interaction (1)
- Service-dominant logic (1)
- Servitization (1)
- Simulation (1)
- Smart Government (1)
- Smart cities (1)
- Smart service (1)
- Smart service development (1)
- Smart services (1)
- Smart specialization (1)
- Smart systems Circular economy (1)
- Smarte Technologien (1)
- Social innovation (1)
- Software Engineering/Programming and Operating Systems (1)
- Software framework (1)
- Solid Phase Microextraction (1)
- Special Purpose and Application-Based Systems (1)
- Strategisches Management (1)
- Sustainability (1)
- Sustainable Smart Service (1)
- Systems Biology (1)
- Teaching support (1)
- Technological innovation (1)
- Theory of Computation (1)
- Time Factors (1)
- Time complexity (1)
- Tool selection (1)
- Trade on networks (1)
- Transportation mode detection (1)
- Travel behavior analysis (1)
- Upper bound (1)
- Uptake (1)
- Urban environment (1)
- Urban innovation (1)
- Uremic syndrome (1)
- VM-instances (1)
- VOC (1)
- Volatile marker (1)
- Volatile organic compound (1)
- Voluntary travel behavioral change (1)
- Worst case search (1)
- ad hoc networks (1)
- ad hoc optimization approach (1)
- adaptation (1)
- adaption (1)
- algorithm selection (1)
- ambiguity aversion (1)
- breath gas analysis community (1)
- classification (1)
- client authentication (1)
- cloud based analysis (1)
- cloud based e-science infrastructure (1)
- cloud computing (1)
- cloud-based code execution framework (1)
- clustering (1)
- constrained optimization problems (1)
- constraint handling (1)
- constraint handling by repair (1)
- convex integral functional (1)
- cryptographic protocols (1)
- cumulative step size adaptation (1)
- data governance (1)
- data sharing (1)
- data-driven organization and culture (1)
- data-driven value creation (1)
- differential evolution (1)
- discourse network analysis (1)
- dynamical systems approach (1)
- e-Commerce/e-business (1)
- e-Science Study Reproducibility (1)
- engineering design (1)
- evolution strategy (1)
- evolutionary computation (1)
- expected value minimization (1)
- f-divergence (1)
- f-divergence ball (1)
- finance (1)
- financial participation (1)
- fitness noise (1)
- forward Kerberos tickets (1)
- generalized exponential family (1)
- global convergence (1)
- global optimization (1)
- heterogeneous distributed e-science infrastructures (1)
- high-dimensional search space (1)
- information geometry (1)
- information theoretic multiple priors (1)
- intermediate recombination (1)
- large-scale collaborations (1)
- level set (1)
- matrix adaptation evolution strategy (1)
- maximum entropy principle (1)
- medical computing (1)
- message authentication (1)
- meta-evolution strategy (1)
- minimisation (1)
- multi-modal objective function (1)
- noisy ellipsoid model (1)
- nonlinear constraint (1)
- optimization (1)
- plausible prior distributions (1)
- pneumodynamics (1)
- population size (1)
- population size control (1)
- population sizing (1)
- power dynamics (1)
- prediction (1)
- probability (1)
- real-parameter optimization problem (1)
- renewable energy (1)
- risk management (1)
- risk measure (1)
- scientific private data (1)
- security credential injection (1)
- self-adaptation (1)
- sharp ridge function (1)
- simulation-based optimization (1)
- smart service ecosystems (1)
- social acceptance (1)
- socio-political acceptance (1)
- sphere model (1)
- stress-testing (1)
- stylenotupdated (1)
- technology legitimacy (1)
- theoretical analysis (1)
- user authentication (1)
- virtual machines (1)
Stability of selected volatile breath constituents in Tedlar, Kynar and Flexfilm sampling bags
(2013)
Towards a high productivity automatic analysis framework for classification. An initial study
(2013)
Blood and breath profiles of volatile organic compounds in patients with end-stage renal disease
(2014)
Modeling the dynamic of breath methane concentration profiles during exercise on an ergometer
(2015)
Comparison of constraint-handling mechanisms for the (1,λ)-ES on a simple constrained problem
(2016)
On the integration of intelligent logistics ecosystems in production and industry 4.0 settings
(2017)
Breath analysis offers a non-invasive and rapid diagnostic method for detecting various volatile organic compounds that could be indicators for different diseases, particularly metabolic disorders including type 2 diabetes mellitus. The development of type 2 diabetes mellitus is closely linked to metabolic dysfunction of adipose tissue and adipocytes. However, the VOC profile of human adipocytes has not yet been investigated. Gas chromatography with mass spectrometric detection and head-space needle trap extraction (two-bed Carbopack X/Carboxen 1000 needle traps) were applied to profile VOCs produced and metabolised by human Simpson Golabi Behmel Syndrome adipocytes. In total, sixteen compounds were identified to be related to the metabolism of the cells. Four sulphur compounds (carbon disulphide, dimethyl sulphide, ethyl methyl sulphide and dimethyl disulphide), three heterocyclic compounds (2-ethylfuran, 2-methyl-5-(methyl-thio)-furan, and 2-pentylfuran), two ketones (acetone and 2-pentanone), two hydrocarbons (isoprene and n-heptane) and one ester (ethyl acetate) were produced, and four aldehydes (2-methyl-propanal, butanal, pentanal and hexanal) were found to be consumed by the cells of interest. This study presents the first profile of VOCs formed by human adipocytes, which may reflect the activity of the adipose tissue enzymes and provide evidence of their active role in metabolic regulation. Our data also suggest that a previously reported increase of isoprene and sulphur compounds in diabetic patients may be explained by their production by adipocytes. Moreover, the unique features of this profile, including a high emission of dimethyl sulphide and the production of furan-containing VOCs, increase our knowledge about metabolism in adipose tissue and provide diagnostic potential for future applications.
Product ion distributions resulting from the primary reactions of H3O+ with nine D-labeled volatile organic compounds and the subsequent sequential reactions with H2O have been determined using a Proton Transfer Reaction Time of Flight Mass Spectrometer (PTR-TOF 8000 (IONICON Analytik GmbH)) at various reduced electric field (E/N) values ranging from 80 up to 150 Td and for two different absolute humidity levels of air sample < 0.1% and 5%. The specific D-labeled compounds used in this study are acetone-d6, toluene-d8, benzene-d6, ethanol-d (C2H5OD), ethanol-d2 (CH3CD2OH), ethanol-d6, 2-propanol-d8, 2-propanol-d3 (CD3CH(OH)CH3), and isoprene-d5 (CH2CHC(CD2)CD3). With the exception of the two 2-propanol compounds, non-dissociative proton transfer is the dominant primary reaction pathway. For 2-propanol-d8 and 2-propanol-d3 the major primary reaction channel involved is dissociative proton transfer. However, unlike their undeuterated counterparts, the primary product ions undergo subsequent deuterium/hydrogen isotope exchange reactions with the ever present water in the drift tube, the extent of which of course depends on the humidity within that tube. This exchange leads to the generation of various isotopologue product ions, the product ion branching percentages of which are also
dependent on the humidity in the drift tube. This results in complex mass spectra and the distribution of product ions leads to issues of reduced sensitivity and accuracy. However, the effect of D/H exchange considerably varies between the compounds under study. In the case of acetone-d6 it is very weak (<1%), because the exchange process is not facile when the deuterium is in the methyl functional group. In comparison, the H3O+/ benzene-d6 (C6D6) reaction and sequential reactions with water result in the production of the isotopologue ions C6Dn(H7-n)+ (where n = 0–6). Changing the value of E/N and/or the humidity in the drift tube considerably affects the amount of the isotope exchange reactions and hence the resulting sequential product ion distributions. An important conclusion of the findings from this work is that care must be taken in the choice of an exogenous deuterated compound for use in breath pharmacokinetic studies using proton transfer reaction mass spectrometry; otherwise the resulting D/H exchange processes impose interpretative problems.
© 2018 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license
(http://creativecommons.org/licenses/by/4.0/).