Background & Aims: To determine if radiological hard- and software offers options beyond the binary female / male classification.
Methods: We surveyed thirteen radiological hardware and six radiological software vendors about the options to enter patient gender.
Results: Six of thirteen hardware and five of six software vendors replied to our inquiry.
Background: About half of all children with rheumatic diseases need continuous medical care during adolescence and adulthood. A good transition into adult rheumatology is essential. Guidelines for a structured transition process have therefore been recommended by the European League Against Rheumatism (EULAR) and the Paediatric Rheumatology European Society (PReS).
View Article and Find Full Text PDFThe facile preparation of three regioisomeric thienopyrrolo[3,2,1-]carbazoles applying a convenient C-H activation approach is presented. The incorporation of thiophene into the triarylamine framework significantly impacted the molecular properties in comparison to the analogous indolo[3,2,1-]carbazole scaffold. Dependent on the exact substitution pattern, the absorption onsets of the new materials are shifted toward slightly higher wavelengths compared to the analogous indolo[3,2,1-]carbazole, whereas the emission maxima of the sulfur derivatives is shifted from 375 to 410 nm.
View Article and Find Full Text PDFA reliable synthetic protocol toward a series of fused chalcogenopheno[1]benzochalcogenophene (CBC) building blocks was developed based on a Fiesselmann reaction. The obtained CBC units were applied in McMurry and Stille coupling reactions toward symmetric regioisomeric ene-linked dimers. These π-conjugated compounds were characterized regarding their photophysical and electrochemical properties and proved to be materials with reduced HOMO-LUMO gaps compared to their sulfur-based analogues.
View Article and Find Full Text PDFActa Crystallogr B Struct Sci Cryst Eng Mater
February 2019
The phase transitions and polymorphism of three 4-aminopyridine-based indolocarbazole analogues are analyzed with respect to symmetry relationships and twinning. Seven polymorphs were structurally characterized using single-crystal diffraction. 5NICz (the indolo[3,2,1-jk]carbazole derivative with the C atom in the 5-position replaced by N) crystallizes as a P2/a high-temperature (270 K) polymorph and as a Pca2 low-temperature (150 K) polymorph.
View Article and Find Full Text PDFThe preparation and characterization of 12 azaindolo[3,2,1-jk]carbazoles is presented. Ring-closing C-H activation allowed for the convenient preparation of six singly and six doubly nitrogen-substituted indolo[3,2,1-jk]carbazole derivatives in which ten of the materials have not been described in the literature before. The detailed photophysical and electrochemical characterization of the developed materials revealed a significant impact of the incorporation of pyridine-like nitrogen into the fully planar indolo[3,2,1-jk]carbazole backbone.
View Article and Find Full Text PDFThree novel materials (, and ), based on the indolo[3,2,1-]carbazole and 9-carbazole building blocks, with high triplet energies ( > 2.80 eV) and good thermal stability ( > 101 °C) were synthesized, characterized and applied as host materials in PhOLED devices. In course of the preparation of the materials, an improved protocol for the synthesis of the indolo[3,2,1-]carbazole moiety has been developed.
View Article and Find Full Text PDFThe synthesis of (2-nitrophenyl)acetyl (NPAc)-protected glucosyl donors is described that were designed for the neighboring-group assisted glucosylation of base-labile natural products also being sensitive to hydrogenolysis. Glycosylation conditions were optimized using a trichloroacetimidate glucosyl donor, and cyclohexylmethanol and (+)-menthol as model acceptors. The approach was then extended to a one-pot procedure for the synthesis of 1,2--glycosides.
View Article and Find Full Text PDFMycotoxins produced by Alternaria fungi are ubiquitous food contaminants, but analytical methods for generating comprehensive exposure data are rare. We describe the development of an LC-MS/MS method covering 17 toxins for investigating the natural occurrence of free and modified Alternaria toxins in tomato sauce, sunflower seed oil, and wheat flour. Target analytes included alternariol (AOH), AOH-3-glucoside, AOH-9-glucoside, AOH-3-sulfate, alternariol monomethyl ether (AME), AME-3-glucoside, AME-3-sulfate, altenuene, isoaltenuene, tenuazonic acid (TeA), tentoxin (TEN), altertoxin I and II, alterperylenol, stemphyltoxin III, altenusin, and altenuic acid III.
View Article and Find Full Text PDFThe structure property relationships of untwinned enantiomorphic -(methylseleno)alkenyl-substituted phenyl-isoxazole and its isostructural triazole congener both crystallizing in the 222 space group were investigated with respect to UV/vis absorption, thermal behaviour, and second harmonic generation ability. Differential scanning calorimetry revealed a significantly higher melting point of the novel isoxazole compound compared to the triazole derivative and therefore a broader thermal application window. The SHG efficiency of the isoxazole derivative is approximately two thirds the value of the triazole compound and approximately 27 times higher than potassium dihydrogen phosphate.
View Article and Find Full Text PDFThe Fusarium metabolite culmorin (1) is receiving increased attention as an "emerging mycotoxin". It co-occurs with trichothecene mycotoxins and potentially influences their toxicity. Its ecological role and fate in plants is unknown.
View Article and Find Full Text PDFXenoestrogenic mycotoxins may contaminate food and feed posing a public health issue. Besides the zearalenone group, the Alternaria toxin alternariol (AOH) has been described as a potential mycoestrogen. However, the estrogenicity of Alternaria toxins is still largely overlooked and further data are needed to better describe the group toxicity.
View Article and Find Full Text PDFMost quadrupolar molecules designed for large two-photon absorption cross section have been shown to undergo symmetry breaking upon excitation to the S state. This was originally deduced from their strong fluorescence solvatochromism and later visualized in real time using transient infrared spectroscopy. For molecules not containing clear IR marker modes, however, a specific real-time observation of the symmetry breaking process remains lacking.
View Article and Find Full Text PDFIn recent years, radiofluorinated alkyl azides have been reported for click radiolabeling and pretargeted PET imaging, but only little is known about the biodistribution and metabolism of these compounds. In this work, we present a significantly improved procedure for the synthesis of [F]fluoroethyl azide and reinvestigated this radiolabeled probe in detail showing poor stability and very restricted suitability for in vivo application. Therefore, modified low-molecular-weight [F]fluoroalkyl azides were developed.
View Article and Find Full Text PDFA series of 1,2,3-triazole linked donor-acceptor chromophores are prepared by Click Chemistry from ene-yne starting materials. The effects of three distinct chemical variations are investigated: enhancing the acceptor strength through oxidation of the sulphur atom, alteration of the double bond configuration, and variation of the triazole substitution pattern. A detailed photophysical characterization shows that these alterations have a negligible effect on the absorption while dramatically altering the emission wavelengths.
View Article and Find Full Text PDFCyanated pentacenes are very promising candidate materials for ambipolar and n-type transistors. However, only a few examples have been obtained to date - all requiring lengthy, multi-step processes. Herein, we present the first preparation of 5,7,12,14-tetracyanopentacene (TCP) and a facile, scaled-up preparation of 6,13-dicyanopentacene (DCP).
View Article and Find Full Text PDFThe preparation of cyanated acenes from quinones has been improved for the conversion of electron-poor starting materials. The new procedure was used to prepare rationally designed 2,7-dinitro-9,10-dicyanoanthracene. Crystallographic, morphological, and electrochemical investigations have revealed most promising properties for applications in organic electronics.
View Article and Find Full Text PDFWe report on the feasibility for color fine-tuning of optical materials using rational design principles based on chemical reasoning. For this purpose, a modular framework for the construction of symmetrical cap-linker-cap compounds, using triarylamine caps and oligothiophene linkers, is applied. The chosen structural scaffolds are heavily used in recent industrial applications and provide five possibilities for altering their electronic and steric properties: electron donor/acceptor groups, planarization/deplanarization, and modulation of the π-conjugation length.
View Article and Find Full Text PDFTo shed light on intramolecular charge-transfer phenomena in 1,2,3-triazole-linked materials, a series of 1,2,3-triazole-linked push-pull chromophores were prepared and studied experimentally and computationally. Investigated modifications include variation of donor and/or acceptor strength and linker moiety as well as regioisomers. Photophysical characterization of intramolecular charge-transfer features revealed ambipolar behavior of the triazole linker, depending on the substitution position.
View Article and Find Full Text PDFActa Crystallogr B Struct Sci Cryst Eng Mater
October 2016
The crystallization behavior of trimethylsilyl-capped (3Z)-4-(methylthio)-3-penten-1-yne (1-TMS) and the triisopropylsilyl and tert-butyldimethylsilyl analogues (1-TIPS) and (1-TBDMS) was investigated. (1-TMS) crystallizes in the Sohncke space group P222 with Z' = 1. (1-TIPS) exists as two polymorphs, both crystallizing in P\overline 1 with Z' = 2 independent molecules.
View Article and Find Full Text PDFStudies on the genotoxicity of Alternaria mycotoxins focus primarily on the native compounds. Alternariol (AOH) and its methyl ether (AME) have been reported to represent substrates for cytochrome P450 enzymes, generating hydroxylated metabolites. The impact of these phase I metabolites on genotoxicity remains unknown.
View Article and Find Full Text PDFAbstract: Bioorthogonal ligations have emerged as highly versatile chemical tools for biomedical research. The exceptionally fast reaction between 1,2,4,5-tetrazines and -cyclooctenes (TCOs), also known as tetrazine ligation, is frequently used in this regard. Growing numbers of applications for the tetrazine ligation led to an increased demand for TCO compounds, whose commercial availability is still very limited.
View Article and Find Full Text PDFA generally applicable direct synthesis of cyanoarenes from quinones is presented. Particular emphasis is placed on the preparation of precursors and target molecules relevant for organic materials, including halogenated cyanoarenes and larger cyanated acenes. The reaction and work-up protocols are adjusted for the challenges presented by the different substrates and products.
View Article and Find Full Text PDFThe crystallization behavior of methylthio- or methylsulfonyl-containing spacer extended Z,Z-bis-ene-yne molecules capped with trimethylsilyl groups obtained by (tandem) thiophene ring fragmentation and of two non-spacer extended analogs were investigated. The rigid and linear molecules generally crystallized in layers whereby the flexibility of the layer interfaces formed by the silyl groups leads to a remarkably rich crystal chemistry. The molecules with benzene and thiophene spacers both crystallized with C2/c symmetry and can be considered as merotypes.
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