Field classification of publications in Dimensions: a first case study testing its reliability and validity

Dimensions is a research data infrastructure and tool, including grants, publications, citations, clinical trials, and patents in one place. An interesting feature of Dimensions is its field classification scheme, which is not based on journal classification systems, as in the Web of Science or Scopus, but on machine learning. Each publication is assigned to at least one field. Using the set of my own publications, I investigated whether they were reliably and validly assigned to fields. The results put in question the reliability and validity of the scheme. Large scale studies seem necessary to investigate the scheme in more detail.

     

Polymorphism of M3AlX Phases (M = Ti,Zr, Hf; X = C,N) and Thermomechanical Properties of Ti3AlN Polymorphs

M₃AlX (M = Ti/Zr/Hf, X = C/N) compounds are promising high‐temperature structural ceramics. However, their interesting polymorphism, thermomechanical stabilities, and thermal and mechanical properties were not fully understood. In this work, the polymorphisms of M₃AX phases are investigated by combining first‐principles and lattice dynamics calculations. Only Ti₃AlN shows polymorphic transition between the cubic and orthorhombic phases at around 1105 K; but other M₃AlX phases do not display similar polymorphic phase transition. Furthermore, the temperature‐dependent heat capacity, thermal expansion, and elastic stiffness of Ti₃AlN polymorphic phases are reported for the first time to explore the relationship between crystal structures, and mechanical and thermal properties. Ti₃AlN polymorphs show anisotropic thermal expansion and elastic stiffness; and the orthorhombic Ti₃AlN is suggested as a promising damage tolerant nitride, which has similar properties with the previously reported Zr₃AlN and Hf₃AlN.     

Experimental and numerical study of the airflow distribution in mixed-flow grain dryers

The aim of this study was to investigate the airflow distribution in a mixed-flow dryer (MFD) and to study the effect of different bed materials and air duct arrangements. The results were used to validate the numerical model developed in a previous work based on Computational Fluid Dynamics (CFD). A series of experiments have been conducted at a semi-technical MFD test dryer with horizontal and diagonal air duct arrangement. Wheat and rapeseed were used as bed materials. The experiments were performed under isothermal conditions. Two experimental methods were selected and adapted to the measuring problem—the measurement of the isobar distribution within the grain bed and the residence time analysis using the tracer gas pulse method. As could be shown, the isobar distributions measured for wheat and rapeseed agreed well with the model predictions. The numerical model could calculate the influence of the bed material with its different particle characteristics (e.g., particle shape, particle size, bed porosity). The results obtained from the residence time analysis confirmed the known quartering of the air stream flowing from one inlet air duct to the four surrounding outlet air ducts for the horizontal air duct arrangement; in the diagonal air duct arrangement, the air stream from one inlet air duct was nearly halved flowing to the two adjacent diagonal outlet air ducts. These results were confirmed by investigations of the air velocity distribution within the grain bulk. Further experiments are necessary to refine the model. The residence time and isobar measurements will be extended to study the influence of different air properties under real drying conditions, the effect of structural elements, and dryer designs.     

ER Stress in ERp57 Knockout Knee Joint Chondrocytes Induces Osteoarthritic Cartilage Degradation and Osteophyte Formation

Ageing or obesity are risk factors for protein aggregation in the endoplasmic reticulum (ER) of chondrocytes. This condition is called ER stress and leads to induction of the unfolded protein response (UPR), which, depending on the stress level, restores normal cell function or initiates apoptotic cell death. Here the role of ER stress in knee osteoarthritis (OA) was evaluated. It was first tested in vitro and in vivo whether a knockout (KO) of the protein disulfide isomerase ERp57 in chondrocytes induces sufficient ER stress for such analyses. ER stress in ERp57 KO chondrocytes was confirmed by immunofluorescence, immunohistochemistry, and transmission electron microscopy. Knee joints of wildtype (WT) and cartilage-specific ERp57 KO mice (ERp57 cKO) were analyzed by indentation-type atomic force microscopy (IT-AFM), toluidine blue, and immunofluorescence/-histochemical staining. Apoptotic cell death was investigated by a TUNEL assay. Additionally, OA was induced via forced exercise on a treadmill. ER stress in chondrocytes resulted in a reduced compressive stiffness of knee cartilage. With ER stress, 18-month-old mice developed osteoarthritic cartilage degeneration with osteophyte formation in knee joints. These degenerative changes were preceded by apoptotic death in articular chondrocytes. Young mice were not susceptible to OA, even when subjected to forced exercise. This study demonstrates that ER stress induces the development of age-related knee osteoarthritis owing to a decreased protective function of the UPR in chondrocytes with increasing age, while apoptosis increases. Therefore, inhibition of ER stress appears to be an attractive therapeutic target for OA.     

Nanoparticle evolution in flame spray pyrolysis—Process design via experimental and computational analysis

In flame spray pyrolysis (FSP), the evolution of metal oxide nanoparticles relies on quite a number of droplet (liquid) and vapor phase related physical mechanism as for instance precursor evaporation, oxidation, nucleation via gas-to-particle conversion mechanism, and subsequent particle (solid) growth mechanisms based on coagulation, sintering/coalescence, and agglomeration. The liquid precursor and dispersion oxygen feed rates are relevant control parameters of the FSP process for tailoring the nanoparticle size (diameter) and structure as well as the atomizer nozzle configuration. Sophisticated nonintrusive, laser-based in situ and ex situ diagnostics with multiscale spatial resolution (micrometer to meter range) are applied for analyzing droplet formation and size, gas velocity, temperature, species concentration, as well as primary and agglomerate diameters along the flow direction. Computational fluid dynamics (CFD) are coupled with population balance modeling (PBM) to elucidate the nanoparticle dynamics within the reactive spray. It is found that the CFD-PBM approach allows estimations of primary and agglomerate nanoparticle diameters within 80 and 75% accuracy compared to experimental data, suggesting that the methods presented could pave the way for designing next-generations of flame reactors.     

The Deubiquitinase OTUB1 Is a Key Regulator of Energy Metabolism

Dysregulated energy metabolism is a major contributor to a multitude of pathologies, including obesity and diabetes. Understanding the regulation of metabolic homeostasis is of utmost importance for the identification of therapeutic targets for the treatment of metabolically driven diseases. We previously identified the deubiquitinase OTUB1 as substrate for the cellular oxygen sensor factor-inhibiting HIF (FIH) with regulatory effects on cellular energy metabolism, but the physiological relevance of OTUB1 is unclear. Here, we report that the induced global deletion of OTUB1 in adult mice (Otub1 iKO) elevated energy expenditure, reduced age-dependent body weight gain, facilitated blood glucose clearance and lowered basal plasma insulin levels. The respiratory exchange ratio was maintained, indicating an unaltered nutrient oxidation. In addition, Otub1 deletion in cells enhanced AKT activity, leading to a larger cell size, higher ATP levels and reduced AMPK phosphorylation. AKT is an integral part of insulin-mediated signaling and Otub1 iKO mice presented with increased AKT phosphorylation following acute insulin administration combined with insulin hypersensitivity. We conclude that OTUB1 is an important regulator of metabolic homeostasis.     

Carborane-Containing Matrix Metalloprotease (MMP) Ligands as Candidates for Boron Neutron-Capture Therapy (BNCT)

Based on the previously reported potent and selective sulfone hydroxamate inhibitors SC-76276, SC-78080 (SD-2590), and SC-77964, potent MMP inhibitors have been designed and synthesized to append a boron-rich carborane cluster by employing click chemistry to target tumor cells that are known to upregulate gelatinases. Docking against MMP-2 suggests binding involving the hydroxamate zinc-binding group, key H-bonds by the sulfone moiety with the peptide backbone residues Leu82 and Leu83, and a hydrophobic interaction with the deep P1’ pocket. The more potent of the two triazole regioisomers exhibits an IC₅₀ of 3.7 nM versus MMP-2 and IC₅₀ of 46 nM versus MMP-9.     

Occurrence of perfluoroalkyl compounds in surface waters from the North Pacific to the Arctic Ocean

Perfluoroalkyl compounds (PFCs) were determined in 22 surface water samples (39-76°N) and three sea ice core and snow samples (77-87°N) collected from North Pacific to the Arctic Ocean during the fourth Chinese Arctic Expedition in 2010. Geographically, the average concentration of ∑PFC in surface water samples were 560 ± 170 pg L(-1) for the Northwest Pacific Ocean, 500 ± 170 pg L(-1) for the Arctic Ocean, and 340 ± 130 pg L(-1) for the Bering Sea, respectively. The perfluoroalkyl carboxylates (PFCAs) were the dominant PFC class in the water samples, however, the spatial pattern of PFCs varied. The C(5), C(7) and C(8) PFCAs (i.e., perfluoropentanoate (PFPA), perfluoroheptanoate (PFHpA), and perfluorooctanoate (PFOA)) were the dominant PFCs in the Northwest Pacific Ocean while in the Bering Sea the PFPA dominated. The changing in the pattern and concentrations in Pacific Ocean indicate that the PFCs in surface water were influenced by sources from the East-Asian (such as Japan and China) and North American coast, and dilution effect during their transport to the Arctic. The presence of PFCs in the snow and ice core samples indicates an atmospheric deposition of PFCs in the Arctic. The elevated PFC concentration in the Arctic Ocean shows that the ice melting had an impact on the PFC levels and distribution. In addition, the C(4) and C(5) PFCAs (i.e., perfluorobutanoate (PFBA), PFPA) became the dominant PFCs in the Arctic Ocean indicating that PFBA is a marker for sea ice melting as the source of exposure.