Effect of different biopolymers and polymers on the mechanical and permeation properties of extruded PHBV cast films

The biopolymer poly‐3‐hydroxybutyrate‐co‐3‐hydroxyvalerate (PHBV) is a promising material for packaging applications but its high brittleness is challenging. To address this issue, PHBV was blended with nine different biopolymers and polymers in order to improve the processing and mechanical properties of the films. Those biopolymers were TPS, PBAT, a blend of PBAT + PLA, a blend of PBAT + PLA + filler, PCL and PBS, and the polymers TPU, PVAc, and EVA. The extruded cast films were analyzed in detail (melting temperature, crystallinity, mechanical properties, permeation properties, and surface topography). A decrease in crystallinity and Young's modulus and an increase in elongation at break and permeability were observed with increasing biopolymer/polymer concentration. In PHBV‐rich blends (≥70 wt % PHBV), the biopolymers/polymers PCL, PBAT, and TPU increased the elongation at break while only slightly increasing the permeability. Larger increases in the permeability were found for the films with PBS, PVAc, and EVA. The films of biopolymer/polymer‐rich blends (with PBAT, TPU, and EVA) had significantly different properties than pure PHBV. A strong effect on the properties was measured assuming that at certain biopolymer/polymer concentrations the coherent PHBV network is disrupted. The interpretation of the permeation values by the Maxwell–Garnett theory confirms the assumption of a phase separation. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46153.     

Thin water films and particle morphology evolution in nanocrystalline MgO

A key question in the field of ceramics and catalysis is how and to what extent residual water in the reactive environment of a metal oxide particle powder affects particle coarsening and morphology. With X‐ray Diffraction (XRD) and Transmission Electron Microscopy (TEM), we investigated annealing‐induced morphology changes on powders of MgO nanocubes in different gaseous H₂O environments. The use of such a model system for particle powders enabled us to describe how adsorbed water that originates from short exposure to air determines the evolution of MgO grain size, morphology, and microstructure. While cubic nanoparticles with a predominant abundance of (100) surface planes retain their shape after annealing to T = 1173 K under continuous pumping with a base pressure of water p(H₂O) = 10^?5 mbar, higher water partial pressures promote mass transport on the surfaces and across interfaces of such particle systems. This leads to substantial growth and intergrowth of particles and simultaneously favors the formation of step edges and shallow protrusions on terraces. The mass transfer is promoted by thin films of water providing a two‐dimensional solvent for Mg²⁺ ion hydration. In addition, we obtained direct evidence for hydroxylation‐induced stabilization of (110) faces and step edges of the grain surfaces.     

Evaluation of wood fiber composites based on a novel simultaneous defibration and compounding process

The distinctive length and morphology characteristics of thermomechanical produced wood fibers make it a promising candidate for the utilization in polymer composites. However, due to the low bulk density of these fibers, the feeding into the compounding process (i.e., extruders) is quite challenging. In this study, a novel simultaneous defibration and compounding process are conducted in order to solve the feed‐in problem of thermomechanical fibers. A disc‐refiner was used to defibrate wood chips to fibers and compound the fibers with neat polymer granulates in one process step. After the process, the material showed typically thermomechanical fibers with chopped polymer particles which were inseparably attached to the fiber. The observed mechanical properties of the composites were slightly lower than some literature values. With field emission scanning electron microscopy and X‐ray microtomography analysis, voids and a polymer enriched surface were found influencing the composites performance. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 45859.     

Polarized recombination of acoustically transported carriers in GaAs nanowires

ABSTRACT: : The oscillating piezoelectric field of a surface acoustic wave (SAW) is employed to transport photoexcited electrons and holes in GaAs nanowires deposited on a SAW delay line on a LiNbO3 crystal. The carriers generated in the nanowire by a focused light spot are acoustically transferred to a second location where they recombine. We show that the recombination of the transported carriers occurs in a zinc blende section on top of the predominant wurtzite nanowire. This allows contactless control of the linear polarized emission by SAWs which is governed by the crystal structure. Additional polarization-resolved photoluminescence measurements were performed to investigate spin conservation during transport.     

Modeling the effect of a superabsorbent polymer material as desiccant in maize drying using CFD

Maize is an important foodstuff in many countries, and one of most susceptible crops to mold and aflatoxin contamination, which results in considerable postharvest losses and is a burden to consumers’ health, especially in developing countries. The timely drying of harvested maize is essential to halt mold development, ensuring safe storage. The effect of the incorporation of a superabsorbent polymer (SAP) as desiccant in a maize dryer was studied using computational fluid dynamics simulations which accounted for heat and mass transfer between maize, SAP and air. The adsorption capacity and adsorption rate of a commercial SAP material were experimentally determined at different temperature and relative humidity levels, which served as basis for the adsorption model required in the simulations. A maize bulk with SAP packages distributed in it was modeled. Results showed that the SAP material increases the drying rate substantially, particularly in the upper bulk zone where the air reaching it is dehumidified the most. The maize closer to the upper bulk surface starts drying from the beginning of the process instead of lagging for hours or days before the drying front reaches it. An inconvenience of the SAP material is the tendency of granules to swell and stick together as moisture reaches a threshold, which may reduce its performance. Thus, provided this issue is resolved or minimized, SAP materials could successfully assist the rapid drying of maize and other crops. They may also be used during storage to avoid rewetting of the crops during periods of high relative humidity.     

Improvement of Aglycone π-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists

Antimicrobial resistance has become a serious concern for the treatment of urinary tract infections. In this context, an anti-adhesive approach targeting FimH, a bacterial lectin enabling the attachment of E. coli to host cells, has attracted considerable interest. FimH can adopt a low/medium-affinity state in the absence and a high-affinity state in the presence of shear forces. Until recently, mostly the high-affinity state has been investigated, despite the fact that a therapeutic antagonist should bind predominantly to the low-affinity state. In this communication, we demonstrate that fluorination of biphenyl α-d -mannosides leads to compounds with perfect π–π stacking interactions with the tyrosine gate of FimH, yielding low nanomolar to sub-nanomolar K_D values for the low- and high-affinity states, respectively. The face-to-face alignment of the perfluorinated biphenyl group of FimH ligands and Tyr48 was confirmed by crystal structures as well as ¹H,¹⁵N-HSQC NMR analysis. Finally, fluorination improves pharmacokinetic parameters predictive for oral availability.     

A particularly strong organic acceptor for tuning the hole-injection barriers in modern organic devices

A better understanding of metal-organic interfaces combined with means to control their properties is crucial for the further improvement of organic (opto)electronic devices. In this context, the use of organic acceptors is an efficient tool to modify metal work functions and hole-injection barriers, which has the potential to considerably improve the performance of organic devices. Here, we use density functional theory based calculations to discuss a particularly potent acceptor suitable for that purpose, 3,5-difluoro-2,5,7,7,8,8-hexacyanoquinodimethane (F2HCNQ), which clearly outperforms the frequently applied and in the meantime prototypical system 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ). Comparative calculations for a single monolayer of the two molecules adsorbed on an Ag(1 1 1) surface reveal that (i) the work-function increase induced by F2HCNQ is more than 20% higher than for F4TCNQ and that (ii) at the same time the adsorption energy basically is unaffected, while (iii) the electronic structure is slightly modified. In the end of the day, F2HCNQ is a highly promising candidate for applications in organic devices.     

A comparative study of high resolution cone beam X-ray tomography and synchrotron tomography applied to Fe- and Al-alloys

X-ray computed tomography (XCT) has become a very important method for non-destructive 3D-characterization and evaluation of materials. Due to measurement speed and quality, XCT systems with cone beam geometry and matrix detectors have gained general acceptance. Continuous improvements in the quality and performance of X-ray tubes and XCT devices have led to cone beam CT systems that can now achieve spatial resolutions down to 1 μm and even below. However, the polychromatic nature of the source, limited photon flux and cone beam artefacts mean that there are limits to the quality of the CT-data achievable; these limits are particularly pronounced with materials of higher density like metals. Synchrotron radiation offers significant advantages by its monochromatic and parallel beam of high brilliance. These advantages usually cause fewer artefacts, improved contrast and resolution.Tomography data of a steel sample and of two multi-phase Al-samples (AlSi12Ni1, AlMg5Si7) are recorded by advanced cone beam XCT-systems with a μ-focus (μXCT) and a sub-μm (nano-focus, sub-μXCT) X-ray source with voxel dimensions between 0.4 and 3.5 μm and are compared with synchrotron computed tomography (sXCT) with 0.3 μm/voxel. CT data features like beam hardening and ring artefacts, detection of details, sharpness, contrast, signal-to-noise ratio and the grey value histogram are systematically compared. In all cases μXCT displayed the lowest performance. Sub-μXCT gives excellent results in the detection of details, spatial and contrast resolution, which are comparable to synchrotron-XCT recordings. The signal-to-noise ratio is usually significantly lower for sub-μXCT compared with the two other methods. With regard to measurement costs “for industrial users”, scanning volume, accessibility and user-friendliness sub-μXCT has significant advantages in comparison to synchrotron-XCT.