Search results for "540 Chemistry and allied sciences"
showing 10 items of 77 documents
Development of a Method for Anodic Degradation of Lignin for the Analysis of Paleo‐Vegetation Proxies in Speleothems
2022
Synthesis, Thermal, and Optical Properties of Tris(5‐aryl‐1,3,4‐oxadiazol‐2‐yl)‐1,3,5‐triazines, New Star‐Shaped Fluorescent Discotic Liquid Crystals
2019
Abstract The synthesis of tris(aryloxadiazolyl)triazines (TOTs), C 3‐symmetrical star‐shaped mesogenes with a 1,3,5‐triazine center, 5‐phenyl‐1,3,4‐oxadiazole arms, and various peripheral alkoxy side chains is reported. Threefold Huisgen reaction on a central triazine tricarboxylic acid and suitable aryltetrazoles yields the title compounds. Selected analogues with a benzene center are included in this study and allow for an evaluation of the impact of the central unit on the physical properties. Thermal (differential scanning calorimetry, DSC; polarization optical microscopy, POM), optical (UV/Vis, fluorescence), electric (time of flight, TOF), and structural (single crystal; wide‐angle X‐…
Design, characterization, and first field deployment of a novel aircraft-based aerosol mass spectrometer combining the laser ablation and flash vapor…
2021
In this paper, we present the design, development, and characteristics of the novel aerosol mass spectrometer ERICA (ERC Instrument for Chemical composition of Aerosols; ERC – European Research Council) and selected results from the first airborne field deployment. The instrument combines two well-established methods of real-time in situ measurements of fine particle chemical composition. The first method is the laser desorption and ionization technique, or laser ablation technique, for single-particle mass spectrometry (here with a frequency-quadrupled Nd:YAG laser at λ = 266 nm). The second method is a combination of thermal particle desorption, also called flash vaporization, and electro…
Enhanced sulfur in the upper troposphere and lower stratosphere in spring 2020
2022
Sulfur compounds in the upper troposphere and lower stratosphere (UTLS) impact the atmosphere radiation budget, either directly as particles or indirectly as precursor gas for new particle formation. In situ measurements in the UTLS are rare but are important to better understand the impact of the sulfur budget on climate. The BLUESKY mission in May and June 2020 explored an unprecedented situation. (1) The UTLS experienced extraordinary dry conditions in spring 2020 over Europe, in comparison to previous years, and (2) the first lockdown of the COVID-19 pandemic caused major emission reductions from industry, ground, and airborne transportation. With the two research aircraft HALO and Falc…
Filling the Gap in the Metallacrown Family: The 9‐MC‐3 Chromium Metallacrown
2021
Abstract In this work, we report on a long‐sought missing complex in the metallacrown family. We synthesized and characterized the novel chromium metallacrown (MC) complex {CrIII(μ 2‐piv)3[9‐MCCr(III)N(shi)‐3](morph)3}⋅MeOH (in which shi3−=salicyl hydroxamate, piv=pivalate, and morph=morpholine). The MC with a 9‐MC‐3 cavity of kinetically inert chromium(III) ions was synthesized by a solvothermal reaction. Magnetization measurements reveal a high spin ground state.
Practical strategies for stable operation of HFF-QCM in continuous air flow
2013
Currently there are a few fields of application using quartz crystal microbalances (QCM). Because of environmental conditions and insufficient resolution of the microbalance, chemical sensing of volatile organic compounds in an open system was as yet not possible. In this study we present strategies on how to use 195 MHz fundamental quartz resonators for a mobile sensor platform to detect airborne analytes. Commonly the use of devices with a resonant frequency of about 10 MHz is standard. By increasing the frequency to 195 MHz the frequency shift increases by a factor of almost 400. Unfortunately, such kinds of quartz crystals tend to exhibit some challenges to obtain a reasonable signal-to…
The realization of autonomous, aircraft-based, real-time aerosol mass spectrometry in the upper troposphere and lower stratosphere
2022
Abstract. We report on the developments that enabled the field deployment of a fully-automated aerosol mass spectrometer, specially designed for high-altitude measurements on unpressurised aircraft. The merits of the two main categories of real-time aerosol mass spectrometry, i.e. (a) single particle laser desorption and ionization, and (b) continuous thermal desorption / electron impact ionization of aerosols, have been integrated into one compact apparatus with the aim to perform in-situ real-time analysis of aerosol chemical composition. The demonstrated instrument, named ERICA (European Research council Instrument for the Chemical composition of Aerosols), operated successfully aboard t…
Resolving Binding Events on the Multifunctional Human Serum Albumin
2020
Abstract Physiological processes rely on initial recognition events between cellular components and other molecules or modalities. Biomolecules can have multiple sites or mode of interaction with other molecular entities, so that a resolution of the individual binding events in terms of spatial localization as well as association and dissociation kinetics is required for a meaningful description. Here we describe a trichromatic fluorescent binding‐ and displacement assay for simultaneous monitoring of three individual binding sites in the important transporter and binding protein human serum albumin. Independent investigations of binding events by X‐ray crystallography and time‐resolved dyn…
Targeting fibroblast activation protein (FAP): next generation PET radiotracers using squaramide coupled bifunctional DOTA and DATA5m chelators
2020
Abstract Background Fibroblast activation protein (FAP) is a proline selective serine protease that is overexpressed in tumor stroma and in lesions of many other diseases that are characterized by tissue remodeling. In 2014, a most potent FAP-inhibitor (referred to as UAMC1110) with low nanomolar FAP-affinity and high selectivity toward related enzymes such as prolyl oligopeptidase (PREP) and the dipeptidyl-peptidases (DPPs): DPP4, DPP8/9 and DPP2 were developed. This inhibitor has been adopted recently by other groups to create radiopharmaceuticals by coupling bifunctional chelator-linker systems. Here, we report squaric acid containing bifunctional DATA5m and DOTA chelators relied on UAMC…
Quantum Monte Carlo study of high pressure solid molecular hydrogen
2013
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground state phase diagram of solid molecular hydrogen and examine the stability of the most important insulating phases relative to metallic crystalline molecular hydrogen. We develop a new method to account for finite-size errors by combining the use of twist-averaged boundary conditions with corrections obtained using the Kwee-Zhang-Krakauer (KZK) functional in density functional theory. To study band-gap closure and find the metallization pressure, we perform accurate quasi-particle many-body calculations using the $GW$ method. In the static approximation, our DMC simulations indicate a transition from the insulating…