Application of a Diffusion Charger for the Measurement of Particle Surface Concentration in Different Environments

Particle surface area has recently been considered as a possible metric in an attempt to correlate particle characteristics with health effects. In order to provide input to such studies, two Nanoparticle Surface Area Monitors (NSAMs, TSI, Inc.) were deployed in different urban sites within Los Angeles to measure the concentration levels and the diurnal profiles of the surface area of ambient particles. The NSAM's principle of operation is based on the unipolar diffusion charging of particles. Results show that the particle surface concentration decreases from ～150 μ m² cm^?3 next to a freeway to ～ 100 μ m² cm^?3 at 100 m downwind of the freeway, and levels decline to 50–70 μ m² cm^?3 at urban background sites. Up to 51% and 30% of the total surface area corresponded to particles < 40 nm next to the freeway and at an urban background site, respectively. The NSAM signal was well correlated with a reconstructed surface concentration based on the particle number size distribution measured with collocated Scanning Mobility Particle Sizers (SMPSs, TSI, Inc.). In addition, the mean surface diameter calculated by combination of the NSAM and the total particle number concentration measured by a Condensation Particle Counter (CPC, TSI, Inc.) was in reasonable agreement with the arithmetic mean SMPS diameter, especially at the urban site. This study corroborates earlier findings on the application of diffusion chargers for ambient particle monitoring by demonstrating that they can be effectively used to monitor the particle surface concentration, or combined with a CPC to derive the mean surface diameter with high temporal resolution.     

Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects

Titanium diboride (TiB₂), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB₂, TiB₂ surfaces, and TiB₂ nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB₂ and available experimental and theoretical data. We then obtain the formation energies for several surface cuts and use these values to construct TiB₂ NCs based on the Wulff theorem. Finally, we demonstrate by studying the adsorption of small molecules that hydrogen and oxygen adatoms can be attached through strongly exothermic chemisorption reactions on TiB₂ surfaces. Likewise, water molecules bind on various TiB₂ surfaces and NC facets, with an energetic preference for the latter. The results are relevant to applications that depend on reactivity-related TiB₂ properties, for example resistance to corrosion and interactions with water-based solutions.     

Advanced concepts in fault tree modularization

In the present paper a new modular decomposition concept is presented, which unifies and generalizes those known. This is done by characterizing a module by a set of modular functions on a modular set of components, rather than by a single modular function. This extension of the module concept leads to a more flexible and efficient modular decomposition, thus providing a powerful method to compute reliability parameters of very large fault trees containing many repeated events, which considerably impede modularization by existing procedures.However, the efficiency of the method depends on an appropriate selection of the modules and on the methods available for evaluating modular functions. These two subjects are treated in detail in this work, which in addition proposes an algorithm for modular evaluation of fault trees.The implementation of this algorithm in the computer code TREEMOD and its application to the evaluation of some examples serve to illustrate the advantages of the method.     

Structural basis for the recognition of carbohydrates by human galectin-7

Knowledge about carbohydrate recognition domains of galectins, formerly known as S-type animal lectins, is important in understanding their role(s) in cell-cell interactions. Here we report the crystal structure of human galectin-7 (hGal-7), in free form and in the presence of galactose, galactosamine, lactose, and N-acetyl-lactosamine at high resolution. This is the first structure of a galectin determined in both free and carbohydrate-bound forms. The structure shows a fold similar to that of the prototype galectins -1 and -2, but has greater similarity to a related galectin molecule, Gal-10. Even though the carbohydrate-binding residues are conserved, there are significant changes in this pocket due to shortening of a loop structure. The monomeric hGal-7 molecule exists as a dimer in the crystals, but adopts a packing arrangement considerably different from that of Gal-1 and Gal-2, which has implications for carbohydrate recognition.     

The structure of glycogen phosphorylase b with an alkyldihydropyridine-dicarboxylic acid compound, a novel and potent inhibitor

BACKGROUND: In muscle and liver, glycogen concentrations are regulated by the reciprocal activities of glycogen phosphorylase (GP) and glycogen synthase. An alkyl-dihydropyridine-dicarboxylic acid has been found to be a potent inhibitor of GP, and as such has potential to contribute to the regulation of glycogen metabolism in the non-insulin-dependent diabetes diseased state. The inhibitor has no structural similarity to the natural regulators of GP. We have carried out structural studies in order to elucidate the mechanism of inhibition. RESULTS: Kinetic studies with rabbit muscle glycogen phosphorylase b (GPb) show that the compound (-)(S)-3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5, 6-tricarboxylate (Bay W1807) has a Ki = 1.6 nM and is a competitive inhibitor with respect to AMP. The structure of the cocrystallised GPb-W1807 complex has been determined at 100K to 2.3 A resolution and refined to an R factor of 0.198 (Rfree = 0.287). W1807 binds at the GPb allosteric effector site, the site which binds AMP, glucose-6-phosphate and a number of other phosphorylated ligands, and induces conformational changes that are characteristic of those observed with the naturally occurring allosteric inhibitor, glucose-6-phosphate. The dihydropyridine-5,6-dicarboxylate groups mimic the phosphate group of ligands that bind to the allosteric site and contact three arginine residues. CONCLUSIONS: The high affinity of W1807 for GP appears to arise from the numerous nonpolar interactions made between the ligand and the protein. Its potency as an inhibitor results from the induced conformational changes that lock the enzyme in a conformation known as the T' state. Allosteric enzymes, such as GP, offer a new strategy for structure-based drug design in which the allosteric site can be exploited. The results reported here may have important implications in the design of new therapeutic compounds.     

The demand for gasoline: Further evidence

Sufficient time must be allowed to elapse to assess fully the response of gasoline demand to price changes. Hitherto, empirical work on the subject has generally not examined the period beyond 1975; moreover, the extant time-series studies concentrate almost exclusively on the USA. This study extends both the observation period and the country coverage. A vehicle stock-adjustment model is estimated via its reduced form without explicit consideration of the vehicle stock itself. However, the estimation procedure incorporates the structure by way of constraints on the parameters. Cross-section analysis offers additional evidence concerning the truly long-run price elasticity. The results suggest that there is no need to resort to elaborate models to explain adequately gasoline demand. Gasoline demand exhibits a long-run price elasticity near unity with time lags exceeding six years, while there is tentative evidence that the duration of these lags is not fixed.     

Ozonation of oil sands process-affected water accelerates microbial bioremediation

Ozonation can degrade toxic naphthenic acids (NAs) in oil sands process-affected water (OSPW), but even after extensive treatment a residual NA fraction remains. Here we hypothesized that mild ozonation would selectively oxidize the most biopersistent NA fraction, thereby accelerating subsequent NA biodegradation and toxicity removal by indigenous microbes. OSPW was ozonated to achieve approximately 50% and 75% NA degradation, and the major ozonation byproducts included oxidized NAs (i.e., hydroxy- or keto-NAs). However, oxidized NAs are already present in untreated OSPW and were shown to be formed during the microbial biodegradation of NAs. Ozonation alone did not affect OSPW toxicity, based on Microtox; however, there was a significant acceleration of toxicity removal in ozonated OSPW following inoculation with native microbes. Furthermore, all residual NAs biodegraded significantly faster in ozonated OSPW. The opposite trend was found for ozonated commercial NAs, which are known to contain no significant biopersistent fraction. Thus, we suggest that ozonation preferentially degraded the most biopersistent OSPW NA fraction, and that ozonation is complementary to the biodegradation capacity of microbial populations in OSPW. The toxicity of ozonated OSPW to higher organisms needs to be assessed, but there is promise that this technique could be applied to accelerate the bioremediation of large volumes of OSPW in Northern Alberta, Canada.     

3DPointCaps++: Learning 3D Representations with Capsule Networks

International Journal of Computer Vision - We present 3DPointCaps++ for learning robust, flexible and generalizable 3D object representations without requiring heavy annotation efforts or...     

Printable CsPbI3 Perovskite Solar Cells with PCE of 19% via an Additive Strategy

All-inorganic CsPbI₃ holds promise for efficient tandem solar cells, but reported fabrication techniques are not transferrable to scalable manufacturing methods. Herein, printable CsPbI₃ solar cells are reported, in which the charge transporting layers and photoactive layer are deposited by fast blade-coating at a low temperature (≤100 °C) in ambient conditions. High-quality CsPbI₃ films are grown via introducing a low concentration of the multifunctional molecular additive Zn(C₆F₅)₂, which reconciles the conflict between air-flow-assisted fast drying and low-quality film including energy misalignment and trap formation. Material analysis reveals a preferential accumulation of the additive close to the perovskite/SnO₂ interface and strong chemisorption on the perovskite surface, which leads to the formation of energy gradients and suppressed trap formation within the perovskite film, as well as a 150 meV improvement of the energetic alignment at the perovskite/SnO₂ interface. The combined benefits translate into significant enhancement of the power conversion efficiency to 19% for printable solar cells. The devices without encapsulation degrade only by ≈2% after 700 h in air conditions.     

Learning Fuzzy Set Representations of Partial Shapes on Dual Embedding Spaces

Modeling relations between components of 3D objects is essential for many geometry editing tasks. Existing techniques commonly rely on labeled components, which requires substantial annotation effort and limits components to a dictionary of predefined semantic parts. We propose a novel framework based on neural networks that analyzes an uncurated collection of 3D models from the same category and learns two important types of semantic relations among full and partial shapes: complementarity and interchangeability. The former helps to identify which two partial shapes make a complete plausible object, and the latter indicates that interchanging two partial shapes from different objects preserves the object plausibility. Our key idea is to jointly encode both relations by embedding partial shapes as fuzzy sets in dual embedding spaces. We model these two relations as fuzzy set operations performed across the dual embedding spaces, and within each space, respectively. We demonstrate the utility of our method for various retrieval tasks that are commonly needed in geometric modeling interfaces.