Search results for "mass [excited state]"
showing 10 items of 5250 documents
Equipping metallo-supramolecular macrocycles with functional groups: Assemblies of pyridine-substituted urea ligands
2012
A series of di-(m-pyridyl)-urea ligands were prepared and characterized with respect to their conformations by NOESY experiments and crystallography. Methyl substitution in different positions of the pyridine rings provides control over the position of the pyridine N atoms relative to the urea carbonyl group. The ligands were used to self-assemble metallo-supramolecular M(2)L(2) and M(3)L(3) macrocycles which are generated in a finely balanced equilibrium in DMSO and DMF according to DOSY NMR experiments and ESI FTICR mass spectrometry. Again, crystallography was used to characterize the assemblies. Methyl substitution in positions next to the pyridine nitrogen prevents coordination, while …
Encapsulation of tetramethylphosphonium cations
2009
International audience; The weak interactions and capsule formation of tetramethylphosphonium (TMP) cation with resorcinarenes 1 and 2 and the corresponding pyrogallarenes 3 and 4 were studied in the solid state by single crystal X-ray diffraction, in solution by NMR and in the gas phase by mass spectrometry. In methanol-D4, the NMR titration studies reveal that the association constants for the 1:1 complexes of TMP@3 and TMP@4 are much higher (TMP@4:390±37 M-1) than for the corresponding TMP@1 and TMP@2 (TMP@2:130±10 M-1) complexes. In the gas phase both monomeric 1:1 TMP@1-TMP@4 complexes as well as the dimeric 1:2 capsule complexes, TMP@12-TMP@42 were observed. The 1:1:2 molar mixtures o…
Analysis of psychoactive substances in water by information dependent acquisition on a hybrid quadrupole time-of-flight mass spectrometer.
2016
Emerging drugs of abuse, belonging to many different chemical classes, are attracting users with promises of “legal” highs and easy access via internet. Prevalence of their consumption and abuse through wastewater-based epidemiology can only be realized if a suitable analytical screening procedure exists to detect and quantify them in water. Solid-phase extraction and ultra-high performance liquid chromatography quadrupole time-of-flight-mass spectrometry (UHPLC–QqTOF–MS/MS) was applied for rapid suspect screening as well as for the quantitative determination of 42 illicit drugs and metabolites in water. Using this platform, we were able to identify amphetamines, tryptamines, piperazines, p…
Aerosol Chemistry Resolved by Mass Spectrometry: Linking Field Measurements of Cloud Condensation Nuclei Activity to Organic Aerosol Composition.
2016
Aerosol hygroscopic properties were linked to its chemical composition by using complementary online mass spectrometric techniques in a comprehensive chemical characterization study at a rural mountaintop station in central Germany in August 2012. In particular, atmospheric pressure chemical ionization mass spectrometry ((-)APCI-MS) provided measurements of organic acids, organosulfates, and nitrooxy-organosulfates in the particle phase at 1 min time resolution. Offline analysis of filter samples enabled us to determine the molecular composition of signals appearing in the online (-)APCI-MS spectra. Aerosol mass spectrometry (AMS) provided quantitative measurements of total submicrometer or…
Aerosol Chemistry Resolved by Mass Spectrometry: Insights into Particle Growth after Ambient New Particle Formation
2016
Atmospheric oxidation of volatile organic compounds (VOCs) yields a large number of different organic molecules which comprise a wide range of volatility. Depending on their volatility, they can be involved in new particle formation and particle growth, thus affecting the number concentration of cloud condensation nuclei in the atmosphere. Here, we identified oxidation products of VOCs in the particle phase during a field study at a rural mountaintop station in central Germany. We used atmospheric pressure chemical ionization mass spectrometry ((-)APCI-MS) and aerosol mass spectrometry for time-resolved measurements of organic species and of the total organic aerosol (OA) mass in the size r…
Exposure to mercury among 9-year-old Spanish children: Associated factors and trend throughout childhood
2019
Mercury is considered a neurotoxicant and human exposure occurs mainly from the consumption of marine species. We aimed to describe total mercury concentrations (THg) and associated factors in 9-year old children, as well as to explore the trend in THg from 4 to 9 years of age. The study population consisted of 9-year-old children participating in the INMA (Environment and Childhood) birth cohort study in Valencia, Spain (n = 405, 2013–2014). THg in hair samples was measured by atomic absorption spectrometry at the age of 4 and 9 years. Sociodemographic and dietary data was obtained through questionnaires. Multiple linear regression was used to explore the association between THg and covari…
Collapse of a two-dimensional brittle granular column: Implications for understanding dynamic rock fragmentation in a landslide
2015
We investigate numerically the failure, collapse and flow of a two-dimensional brittle granular column over a horizontal surface. In our discrete element simulations, we consider a vertical monolayer of spherical particles that are initially held together by tensile bonds, which can be irreversibly broken during the collapse. This leads to dynamic fragmentation within the material during the flow. Compared to what happens in the case of a non-cohesive granular column, the deposit is much rougher, and the internal stratigraphic structure of the column is not preserved during the collapse. As has been observed in natural rockslides, we find that the deposit consists of large blocks laying on …
Origin and Ion Charge State Evolution of Solar Wind Transients during 4 – 7 August 2011
2016
We present study of the complex event consisting of several solar wind transients detected by Advanced Composition Explorer (ACE) on 4 -- 7 August 2011, that caused a geomagnetic storm with Dst$=-$110 nT. The supposed coronal sources -- three flares and coronal mass ejections (CMEs) occurred on 2 -- 4 August 2011 in the active region (AR) 11261. To investigate the solar origin and formation of these transients we studied kinematic and thermodynamic properties of the expanding coronal structures using the Solar Dynamics Observatory/Atmospheric Imaging Assembly (SDO/AIA) EUV images and the differential emission measure (DEM) diagnostics. The Helioseismic and Magnetic Imager (HMI) magnetic fie…
Ash-plume dynamics and eruption source parameters by infrasound and thermal imagery: The 2010 Eyjafjallajökull eruption
2013
During operational ash-cloud forecasting, prediction of ash concentration and total erupted mass directly depends on the determination of mass eruption rate (MER), which is typically inferred from plume height. Uncertainties for plume heights are large, especially for bent-over plumes in which the ascent dynamics are strongly affected by the surrounding wind field. Here we show how uncertainties can be reduced if MER is derived directly from geophysical observations of source dynamics. The combination of infrasound measurements and thermal camera imagery allows for the infrasonic type of source to be constrained (a dipole in this case) and for the plume exit velocity to be calculated (54–14…
Steroid Biomarkers Revisited - Improved Source Identification of Faecal Remains in Archaeological Soil Material.
2017
Steroids are used as faecal markers in environmental and in archaeological studies, because they provide insights into ancient agricultural practices and the former presence of animals. Up to now, steroid analyses could only identify and distinguish between herbivore, pig, and human faecal matter and their residues in soils and sediments. We hypothesized that a finer differentiation between faeces of different livestock animals could be achieved when the analyses of several steroids is combined (Δ5-sterols, 5α-stanols, 5β-stanols, epi-5β-stanols, stanones, and bile acids). We therefore reviewed the existing literature on various faecal steroids from livestock and humans and analysed faeces …