Materials Literature
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Evaluating the ligandability of a protein target is a key component when defining hit-finding strategies or when prioritize among drug targets. Computational as well as biophysical approaches based on nuclear magnetic resonance (NMR) fragment screening are powerful approaches but suffer from specific constraints that…
Macrosegregation is a very common problem for the quality control of all cast ingots. The effect of current on the structure and macrosegregation in dual alloy ingot processed by electroslag remelting (ESR) was investigated experimentally with various analytical methods. In this study, the electrode consisted of NiCrM…
The compounds of the REPt6Al3 series (RE = Ce–Nd, Sm, Gd, Tb) were obtained by reaction of the elements via arc‐melting. They were characterized by powder and single‐crystal X‐ray diffraction (NdPt6Al3: wR = 0.0432, 759 F2 values, 33 variables) as well as by magnetic susceptibility measurements. The isostructural comp…
We present the first solid-state NMR study of an iron–sulfur protein. The combined use of very fast (60 kHz) magic-angle spinning and tailored radiofrequency irradiation schemes allows the detection and the assignment of most of the 1 H and 13 C resonances of the oxidized high-potential iron–sulfur protein I from Ecto…
Ettringite, as one of the hydration products of cement paste, has attracted the attention of pavement engineers recently. In this paper, a concise and comprehensive multi-scale modelling approach is presented to study the Mode I fracture based on the continuum level tool Phase-field Theory (PFT) and the atomistic leve…
Summary For the risk for spontaneous combustion in storage of biomass pellets to be assessed, it is important to know how prone the fuel is to self‐heating. There are traditional methods that are used to determine self‐heating characteristics of fuels, eg, basket heating tests. The results from basket heating tests in…
Three conjugated polymers with alkyl chains of different lengths are designed and synthesized, and their structure-property relationship as organic thermoelectric materials is systematically elucidated. All three polymers show similar photophysical properties, thermal properties, and mechanical properties; however, th…
All structural steels offer economical properties of mean strength and low corrosion resistance. There are ferritic-perlitic steels and very often used as construction materials in industrial applications. The purpose of this article is to investigate corrosion resistance using weight loss and profile roughness parame…
This article is a highlight of the paper by Lazic et al. in this issue of Photochemistry and Photobiology, https://doi.org/10.1111/php.12767. It describes the validation of osmium coordination complexes as photosensitizers for photodynamic therapy, with very promising in vivo results that demonstrate radical improveme…
Within the field of nanoparticle-assisted photothermal cancer therapy, focus has mostly been on developing novel heat-generating nanoparticles with the right optical and dimensional properties. Comparison and evaluation of their performance in tumor-bearing animals are commonly assessed by changes in tumor volume; how…
We demonstrate the efficient generation of second harmonic light in zinc oxide (ZnO) by utilizing double resonant plasmonic nanoantenna arrays. The antenna design is based on two gold dipole rods with plasmonic resonances at $\ensuremath{\omega}$ and $2\ensuremath{\omega}$, enabling strong localization of light at the…
Abstract Aqueous acrylamide gels can be used to provide dynamic nuclear polarization (DNP) NMR signal enhancements of around 200 at 9.4 T and 100 K. The enhancements are shown to increase with crosslinker concentration and low concentrations of the AMUPol biradical. This DNP matrix can be used in situations where conv…
A three-component hydrocarboxylation of enynes with ZnEt 2 and CO 2 is realized. Highly selective cyclizative carboxylation of the C–C triple bond was observed. Preliminary mechanistic studies indicated both the concerted cyclometalation mechanism and the stepwise C═C bond-directed carboxylation were possible in this…
Abstract This study investigated the interaction processes of ciprofloxacin (CIP) with graphene oxide (GO) and reduced GO (rGO) in presence of montmorillonite (Mont) in simulated gastrointestinal fluids. The order of CIP adsorption affinity was rGO+Mont > GO+Mont > rGO+Mont+pepsin > rGO > GO+Mont+pepsin > Mont > Mont+…
Modeling depth of long-term pitting corrosion is of interest for engineers in predicting the structural longevity of ocean infrastructures. Conventional models demonstrate poor quality in predicting the long-term pitting corrosion depth. Recently developed phenomenological models provide a strong understanding of the…
Abstract At present,64Cu(II) labeled tracers including64CuCl2have been widely applied in the research of molecular imaging and therapy. Human copper transporter 1 (hCTR1) is the major high affinity copper influx transporter in mammalian cells, and specially responsible for the transportation of Cu(I) not Cu(II). Thus,…
The extension of the photoactive wavelength region of TiO 2 photocatalysts into the visible region is desirable for popularizing TiO 2 photocatalysts into practice. Among all the strategies to modifying TiO 2 , the presence of hydrogen peroxide (H 2 O 2 ) was report to be able to induce visible-light activity for bare…
Unlike the existing bar-type permanent magnets, it is difficult to magnetize the ferrite spoke-type permanent magnet synchronous motor (PMSM), because the permanent magnet is placed deep inside the shaft. In order to magnetize permanent magnet, a high magnetic field intensity is required. However, the high magnetic fi…
Graphene, a crystalline allotrope or carbon, presents numerous useful properties; however, its toxicity is yet to be determined. One of the most dramatic and irreversible toxic abilities of carbon nanomaterials is the induction of DNA fragmentation produced by endogenous cellular endonucleases. This study demonstrated…
In mammals, small heat-shock proteins (sHSPs) typically assemble into interconverting, polydisperse oligomers. The dynamic exchange of sHSP oligomers is regulated, at least in part, by molecular interactions between the α-crystallin domain and the C-terminal region (CTR). Here we report solution-state nuclear magnetic…