What is a crystal to the new chemical crystallographer,after that first,automated structure analysis?

This educational review postulates the importance of maintaining an adequate level of crystallographic education among structure-dependent scientists whose interests are not primarily in crystallography, at a time when automation and validation have made it possible to obtain high-quality structure analyses in many cases with a minimum of crystallographic background. The topics addressed are intended to form a second round of crystallographic education for a novice user whose first round involved hands-on experience with structure solution and an introduction to elementary concepts. The specific topics, chosen for their relevance as basic knowledge and their lack of emphasis in many formal treatments, are (1) crystallographic reference frames and the utility of the reciprocal cell in geometrical calculations; (2) the relationship between the two concepts that constitute our model of the crystal, namely the unit cell and the lattice; (3) the manner in which an atom is represented in concept and in practice; (4) the importance of interleaved symmetry elements required by the presence of additional symmetry on a lattice; (5) the harnessing of the natural properties of the crystalline state for the potential manipulation of properties of synthetic crystals; and (6) useful terminology for navigating a crystal structure.     

Ice aluminum debonding with induction heating#

The strong ice bonding to solid surfaces makes deicing such surfaces a challenging task. In this study, a heat flux will be induced into the interlayer of the ice and in this case aluminum. With a high heat flux it is possible to obtain a small liquid layer between the ice and the aluminum. In metallic materials the heat flux can be induced with an electromagnetic field via induction heating. The thickness of the heated metal layer depends on the frequency applied for the induction heating. High frequencies result in very thin layers of metal heated and hence represent an energy efficient method for de-icing the metal surface. The reduction of the energy consumption for deicing is the main goal. One application is the ice removal in ice slurry generators in this study. Compared to ice removal (scraped surface ice slurry generators) induction heating deicing offers energy and maintenance saving potential.     

Subtle variations in the structure of crosslinked epoxy networks and the impact upon mechanical and thermal properties

Presented here is an investigation of the structure–property relationships of crosslinked networks using three bi-functional glycidyl ether aromatic epoxy resins, two bi-aryl and one tri-aryl, cured with bi- and tri-aryl amines. Subtle changes to the monomer chemistry including changing aromatic substitution patterns from meta to para, methylene to isopropyl and isopropyl to ether were explored. Changing an epoxy resin backbone from methylene to isopropyl enhances backbone rigidity thus increasing glass transition temperature (T_g), yield strength, and strain despite reducing modulus. Changing meta-substitution to para increases T_g and yield strain while leaving strength unaffected and reducing modulus. Changing isopropyl linkages to ether reduces modulus, strength, T_g, and yield strain reflecting increased molecular flexibility. Using three instead of two aromatic rings increases the molecular weight between crosslinks thereby decreasing T_g and yield strain while increasing modulus and strength. Despite the complexities of multiple systems for varying epoxy resins and amine hardeners, the effect upon network properties is explained in terms of short- and long-range molecular and segmental mobility, crosslink density, and equilibrium packing density. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48874.     

Physicochemical and physiological changes during the ripening of Banana (Musaceae) fruit grown in Colombia

The physicochemical and physiological attributes of three contrasting commercial varieties of Musaceae, Dominico Harton (plantain), Guineo (cooking banana) and Gros Michel (dessert banana), were evaluated and statistically analysed during post-harvest ripening. Quality attributes differed markedly among varieties, both in fresh fruits and during ripening. Variety (V) had a significant effect (P < 0.001) on all attributes except total soluble solids (TSS), carotenes and total chlorophyll. Storage time (ST) had a significant effect on all attributes except colour parameter b* and total carotenes. Starch levels decreased significantly (P < 0.001) during ripening, with nearly complete hydrolysis in Gros Michel, followed by Guineo and Dominico Harton. Discriminant analysis showed that central diameter, TSS of the pulp, colour parameter a* and total starch had the highest weight in the differentiation among varieties. These results point out which parameters may help improve current methods for monitoring ripening of bananas, in particular the commercially important varieties in this study.     

Characterization and selection of suitable grades of lactose as functional fillers for capsule filling: part 1

The purpose of this work is to characterize thermal, physical and mechanical properties of different grades of lactose and better understand the relationships between these properties and capsule filling performance. Eight grades of commercially available lactose were evaluated: Pharmatose 110?M, 125?M, 150?M, 200?M, 350?M (α-lactose monohydrate), AL (anhydrous lactose containing ～80% β-AL), DCL11 (spray dried α-lactose monohydrate containing ～15% amorphous lactose) and DCL15 (granulated α-lactose monohydrate containing ～12% β-AL). In this study, different lactose grades were characterized by thermal, solid state, physical and mechanical properties and later evaluated using principal component analysis (PCA) to assess the inter-relationships among some of these properties. The lactose grades were characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), X-ray diffraction (XRD), moisture sorption/desorption isotherms, particle size distribution; the flow was characterized by Carr Index (CI), critical orifice diameter (COD) and angle of friction. Plug mechanical strength was estimated from its diametric crushing strength. The first and second principal components (PC) captured 47.6% and 27.4% of variation in the physical and mechanical property data, respectively. The PCA plot grouped together 110?M, AL, DCL11 and DCL15 on the one side of plot which possessed superior properties for capsule formulation and these grades were selected for future formulation development studies (part II of this work).     

PCB dry and wet weather concentration and load comparisons in Houston-area urban channels

All 209 PCB congeners are quantified in water in both dry and wet weather urban flows in Houston, Texas, USA. Total water PCBs ranged from 0.82 to 9.4 ng/L in wet weather and 0.46 to 9.0 ng/L in dry. Wet weather loads were 8.2 times higher (by median) than dry weather with some increases of over 100-fold. The majority of the PCB load was in the dissolved fraction in dry weather while it was in the suspended fraction in wet weather. Dissolved PCB loads were correlated with rain intensity and highly developed land area, and a multiple linear regression (MLR) equation was developed to quantify these correlations. PCA generated five PCB components with nearly all positive loadings. They were interpreted as DOC-associated A1248, wet weather primarily suspended fraction A1254/A1260 likely from building sealants, truly dissolved-associated wastewater dechlorination, watershed-sourced PCB 11, and monochlorinated PCBs (likely connected to a different state or source of dechlorination). The PCB 11 component was statistically higher in wet versus dry weather when no other component showed such clear distinctions. Hierarchical cluster analysis (HCA) did not always group dry and wet weather samples from the same location together illustrating the different congener composition that often exists between dry and wet conditions. Four wet weather samples from high percentage developed land (> 90%) watersheds had nearly the same fingerprint suggesting a generic “urban” signature in runoff, which in this case was caused by residual A1254/A1260 PCB stocks and currently produced PCB 11 in consumer goods.     

Transport and retention of a bacteriophage and microspheres in saturated, angular porous media: effects of ionic strength and grain size

Eight saturated column experiments were conducted to examine the effects of solution chemistry and grain size on the transport of colloids through crushed silica sand. Two sizes of colloids, 0.025-μm bacteriophage (MS-2) and 1.5-μm carboxylated microspheres, were used as surrogates for the transport of pathogenic viruses and bacteria, respectively. Increasing the Ca²⁺ concentration from 1 to 4.8 mM (along with background monovalent ions) resulted in complete attenuation (>6-log decrease in C/C₀) of MS-2, but caused only a 1-log reduction (C/C₀ = 0.1) in the concentration of the microspheres. Decreasing grain size from medium sand (d₅₀ = 0.70 mm) to fine sand (d₅₀ = 0.34 mm) resulted in substantial decreases in effluent concentrations of both the MS-2 (5-log decrease) and microspheres (>2.5-log decrease). Comparison of observed colloid retention to that predicted by a recently published correlation equation for colloid filtration revealed that the model can considerably underpredict (by 4 orders of magnitude or more) colloid retention by angular sand over distances as short as 20 cm. This indicates that state-of-the-art colloid filtration models are still limited in applicability to natural systems.     

Real-Time Differential Pricing Scheme for Active Consumers with Electric Vehicles

Electric vehicles (EVs) are becoming increasingly popular because of their low operating costs. However, the anticipated increase in EV usage presents opportunities as well as challenges for utilities. This paper models EV charging behavior of active consumers who strategize their EV charging schedule to minimize the charging cost. The electric utility employs a temporal and spatially varying real-time pricing scheme that minimizes peak-to-average load ratio by influencing charging behavior of multiple active consumers. These active consumers decide their optimal charging strategy based on real-time electricity prices in order to minimize their EV charging cost. A model predictive control (MPC)-based optimal pricing scheme for electric utility and optimal charging strategy for active consumers is proposed. Effects of the proposed approach on load profile is verified using simulations.     

Adaptive Boolean Logic Using Ferroelectrics Capacitors as Basic Units of Artificial Neurons and Its Implementation in FPGA

In this work we propose the implementation of boolean logic through artificial neurons with Ferroelectric Capacitor (FeCapacitor) as its basic unit on a reconfigurable hardware platform. Two neurons were implemented: the Perceptron and the Spiking Neuron model. Both neurons use the phenomenon of the hysteresis loop as an activation function and were embedded on a Field Gate Programmable Gate Array (FPGA) hardware platform. The implementations were carried out by Simulink models and hardware synthesizable blocks from DSP Builder software and the results are shown in the form of the models and the boolean functions implemented by them.