Density estimates on the unit simplex and calculation of the mode of a sample

This paper addresses reliable and efficient calculation of the mode of a multivariate sample, which is a classical fusion function. In particular, we focus on the inputs given on the unit simplex, when aggregating elements of Atanassov intuitionistic fuzzy sets, interval-valued fuzzy sets and their extensions, as well as compositional data. We outline the use of a specially designed 2-additive fuzzy measures and the Choquet integral for the purposes of reducing computational complexity in higher dimensions. We present computational analysis and benchmark four different methods of density-based mode estimation.     

Use of photodegradable inhibitors in UV-curable compositions to form polymeric 2D-structures by visible light

The process of two-wave photopolymerization of a UV-curable composition with an optically degrading inhibitor is considered. By numerical simulation, it is shown that in the composition layer uniformly exposed to UV-radiation, such systems allow getting segments with different conversion under the action of inhomogeneous visible light. Based on the data on the photopolymerization kinetics of the compositions from triethylene glycol dimethacrylate (TEGDMA) and bisphenol-A glycidyl dimethacrylate (bis-GMA) with the UV-initiator 2,2-dimethoxy-2-phenylacetophenone (DMPA), it was shown that 3,5-di-tert-butyl-o-benzoquinone (35Q) with N,N-dimethylaniline (DMA, “Aldrich”, 99%) can serve as an inhibitor that degrades under action of visible radiation. Combining inhomogeneous visible light generated with a conventional DLP-projector and uniform UV-radiation of LED (365 nm) the two-wave lithographic process was implemented to create polymeric 2D-structures in 20 μm layer of the compositions from TEGDMA (70)/bis-GMA (30)/DMPA (0.05 wt%)/35Q (0.5 wt%)/DMA (1 wt%).     

Detailed Structure–Function Correlations of Bacillus subtilis Acetolactate Synthase

Isobutanol is deemed to be a next‐generation biofuel and a renewable platform chemical. 1 Non‐natural biosynthetic pathways for isobutanol production have been implemented in cell‐based and in vitro systems with Bacillus subtilis acetolactate synthase (AlsS) as key biocatalyst. 2 – 6 AlsS catalyzes the condensation of two pyruvate molecules to acetolactate with thiamine diphosphate and Mg²⁺ as cofactors. AlsS also catalyzes the conversion of 2‐ketoisovalerate into isobutyraldehyde, the immediate precursor of isobutanol. Our phylogenetic analysis suggests that the ALS enzyme family forms a distinct subgroup of ThDP‐dependent enzymes. To unravel catalytically relevant structure‐function relationships, we solved the AlsS crystal structure at 2.3 Å in the presence of ThDP, Mg²⁺ and in a transition state with a 2‐lactyl moiety bound to ThDP. We supplemented our structural data by point mutations in the active site to identify catalytically important residues.     

Carbon Nanotube–CoF2 Multifunctional Cathode for Lithium Ion Batteries: Effect of Electrolyte on Cycle Stability

Transition metal fluorides (MF_x) offer remarkably high theoretical energy density. However, the low cycling stability, low electrical and ionic conductivity of metal fluorides have severely limited their applications as conversion‐type cathode materials for lithium ion batteries. Here, a scalable and low‐cost strategy is reported on the fabrication of multifunctional cobalt fluoride/carbon nanotube nonwoven fabric nanocomposite, which demonstrates a combination of high capacity (near‐theoretical, ) and excellent mechanical properties. Its strength and modulus of toughness exceed that of many aluminum alloys, cast iron, and other structural materials, fulfilling the use of MF_x‐based materials in batteries with load‐bearing capabilities. In the course of this study, cathode dissolution in conventional electrolytes has been discovered as the main reason that leads to the rapid growth of the solid electrolyte interphase layer and attributes to rapid cell degradation. And such largely overlooked degradation mechanism is overcome by utilizing electrolyte comprising a fluorinated solvent, which forms a protective ionically conductive layer on the cathode and anode surfaces. With this approach, 93% capacity retention is achieved after 200 cycles at the current density of 100 mA g⁻¹ and over 50% after 10 000 cycles at the current density of 1000 mA g⁻¹.     

Stochastic geometry of network of randomly distributed moving vehicles on a highway

Vehicular ad hoc networks (VANETs) have become an extensively studied topic in contemporary research. One of the fundamental problems that has arisen in such research is understanding the network statistical properties, such as the cluster number distribution and the cluster size distribution. In this paper, we analyze these characteristics in the case in which vehicles are located on a straight road. Assuming the Rayleigh fading model and a probabilistic model of intervehicle distance, we derive probabilistic distributions of the aforementioned connectivity characteristics, as well as distributions of the biggest cluster and the number of disconnected vehicles. All of the results are confirmed by simulations carried out for the realistic values of parameters.     

One‐Step Formulation of Protein Microparticles with Tailored Properties: Hard Templating at Soft Conditions

Formulation of therapeutic proteins into particulate forms is a main strategy for site‐specific and prolonged protein delivery as well as for protection against degradation. Precise control over protein particle size, dispersity, purity, as well as mild preparation conditions and minimal processing steps are highly desirable. It is, however, hard to fit all these criteria with conventional preparation techniques. Here a one‐step hard‐templating synthesis of microparticles composed of functional, non‐denatured protein is reported. The method is based on filling porous CaCO₃ microtemplates with the protein near to its isoelectric point (pI) followed by pH‐ or EDTA‐mediated dissolution of the tempplates. In principle, a wide variety of proteins can be converted into microparticles using this approach. The main requirement is an overlap of the protein insolubility and a template solubility for a certain parameter (here pH or EDTA). Here the formulation of insulin particles is studied in detail and it is shown that particles consisting of high molecular weight protein (catalase) can also be prepared. In this context, the synthesis of CaCO₃ templates with controlled size, the mechanism of the protein microparticle formation and mechanical properties of the microparticles are discussed. For the first time, the fabrication of mesoporous monodispersed CaCO₃ microtemplates with identical porocity but tuned diameter from 3 to 20 μm is demonstrated. The protein particle diameter can be adjusted by choosing the appropriate template size that is critical for successful pulmonary delivery of insulin. As a first step towards insulin delivery, the in vitro release of insulin at physiological conditions is studied.     

A cubic ordered, mesoporous carbide-derived carbon for gas and energy storage applications

A hierarchical and highly porous carbide-derived carbon (CDC) was obtained by nanocasting of pre-ceramic precursors into cubic ordered silica (KIT-6) and subsequent chlorination. Resulting CDC replica materials show high methane and n-butane uptake and excellent performance as electrode materials in supercapacitors.     

Influence of ionic strength on the tribological properties of pre-adsorbed salivary films

We have studied tribological properties of pre-adsorbed salivary films formed in vitro on compliant hydrophobic surfaces. The adsorbed salivary film significantly decreases boundary friction under physiological ionic strength, which is related to a hydrophilic character of the adsorbed film and its structure. Decrease in the ionic strength below physiological conditions affects film’s structure, but it does not significantly affect boundary lubrication at low loads. Applications of high loads led to a gradual loss of lubrication due to shear-induced wear of the films. The wear became more extensive as the ionic strength of the solvent was lowered below physiological conditions.     

Polymerization of monomers initiated by silyl centers in SiO deposits prepared by pulsed laser ablation

Deposits from silicon monoxide prepared by pulsed laser ablation were allowed to react with acrylic and vinyl monomers—styrene, methyl methacrylate and 1,2 ethylene glycol dimethacrylate. It was revealed by means of FTIR, electron paramagnetic resonance (EPR), and NMR spectroscopies that silyl ?Si· reacts with monomer molecules and initiates the consecutive polymerization. Crosslinking is proved by the occurrence of bending δ(? CH₂) absorption peak at about 750 cm^?1 in FTIR spectra. Because of very low concentration of the propagating radical for styrene we used a radical scavenger N‐phenyl‐t‐butylnitrone for trapping. The measured EPR parameters were compared with the calculated ones. In case of styrene, NMR analysis manifested the presence of Si? C bonds in SiC_xO_y (x + y = 2) units, which can be taken as direct evidence of the reaction between silyl centers and monomer molecules. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 102: 4488–4492, 2006