Direct electron crystallographic determination of zeolite zonal structures

The prospect for improving the success of ab initio zeolite structure investigations with electron diffraction data is evaluated. First of all, the quality of intensities obtained by precession electron diffraction at small hollow cone illumination angles is evaluated for seven representative materials: ITQ-1, ITQ-7, ITQ-29, ZSM-5, ZSM-10, mordenite, and MCM-68. It is clear that, for most examples, an appreciable fraction of a secondary scattering perturbation is removed by precession at small angles. In one case, ZSM-10, it can also be argued that precession diffraction produces a dramatically improved 'kinematical' data set. There seems to no real support for application of a Lorentz correction to these data and there is no reason to expect for any of these samples that a two-beam dynamical scattering relationship between structure factor amplitude and observed intensity should be valid. Removal of secondary scattering by the precession mode appears to facilitate ab initio structure analysis. Most zeolite structures investigated could be solved by maximum entropy and likelihood phasing via error-correcting codes when precession data were used. Examples include the projected structure of mordenite that could not be determined from selected area data alone. One anomaly is the case of ZSM-5, where the best structure determination in projection is made from selected area diffraction data. In a control study, the zonal structure of SSZ-48 could be determined from selected area diffraction data by either maximum entropy and likelihood or traditional direct methods. While the maximum entropy and likelihood approach enjoys some advantages over traditional direct methods (non-dependence on predicted phase invariant sums), some effort must be made to improve the figures of merit used to identify potential structure solutions.     

Ab initio determination of heavy oxide perovskite related structures from precession electron diffraction data

Two complex perovskite-related structures were solved by ab initio from precession electron diffraction intensities. Structure models were firstly derived from HREM images and than have been confirmed independently using two and three-dimensional sets of precession intensities. Patterson techniques prove to be effective for ab initio structure resolution, specially in case of projections with no overlapping atoms. Quality of precession intensity data may be suitable enough to resolve unknown heavy oxide structures.     

An Algebra of Discrete Channels That Involve Combinations of Three Basic Error Types

Recently, the author introduced a nonprobabilistic mathematical model of discrete channels, the BEE channels, that involve the error-types substitution, insertion, and deletion. This paper defines an important class of BEE channels, the SID channels, which include channels that permit a bounded number of scattered errors and, possibly at the same time, a bounded burst of errors in any segment of predefined length of a message. A formal syntax is defined for generating channel expressions, and appropriate semantics is provided for interpreting a given channel expression as a communication channel (SID channel) that permits combinations of substitutions, insertions, and deletions of symbols. Our framework permits one to generalize notions such as error correction and unique decodability, and express statements of the form “The code K can correct all errors of type ξ” and “it is decidable whether the code K is uniquely decodable for the channel described by ξ”, where ξ is any SID channel expression.     

ApoA1 Deficiency Reshapes the Phenotypic and Molecular Characteristics of Bone Marrow Adipocytes in Mice

In the present study, we studied the effect of apolipoprotein A-1 (APOA1) on the spatial and molecular characteristics of bone marrow adipocytes, using well-characterized ApoA1 knockout mice. APOA1 is a central regulator of high-density lipoprotein cholesterol (HDL-C) metabolism, and thus HDL; our recent work showed that deficiency of APOA1 increases bone marrow adiposity in mice. We found that ApoA1 deficient mice have greatly elevated adipocytes within their bone marrow compared to wild type counterparts. Morphologically, the increased adipocytes were similar to white adipocytes, and displayed proximal tibial-end localization. Marrow adipocytes from wild type mice were significantly fewer and did not display a bone-end distribution pattern. The mRNA levels of the brown/beige adipocyte-specific markers Ucp1, Dio2, Pat2, and Pgc1a; and the expression of leptin were greatly reduced in the ApoA1 knock-out in comparison to the wild-type mice. In the knock-out mice, adiponectin was remarkably elevated. In keeping with the close ties of hematopoietic stem cells and marrow adipocytes, using flow cytometry we found that the elevated adiposity in the ApoA1 knockout mice is associated with a significant reduction in the compartments of hematopoietic stem cells and common myeloid, but not of the common lymphoid, progenitors. Moreover, the ‘beiging’-related marker osteopontin and the angiogenic factor VEGF were also reduced in the ApoA1 knock-out mice, further supporting the notion that APOA1—and most probably HDL-C—regulate bone marrow microenvironment, favoring beige/brown adipocyte characteristics.     

Continuous authentication on relational streams

According to the database outsourcing model, a data owner delegates database functionality to a third-party service provider, which answers queries received from clients. Authenticated query processing enables the clients to verify the correctness of query results. Despite the abundance of methods for authenticated processing in conventional databases, there is limited work on outsourced data streams. Stream environments pose new challenges such as the need for fast structure updating, support for continuous query processing and authentication, and provision for temporal completeness. Specifically, in addition to the correctness of individual results, the client must be able to verify that there are no missing results in between data updates. This paper presents a comprehensive set of methods covering relational streams. We first describe REF, a technique that achieves correctness and temporal completeness but incurs false transmissions, i.e., the provider has to inform the clients whenever there is a data update, even if their results are not affected. Then, we propose CADS, which minimizes the processing and transmission overhead through an elaborate indexing scheme and a virtual caching mechanism. In addition, we present an analytical study to determine the optimal indexing granularity, and extend CADS for the case that the data distribution changes over time. Finally, we evaluate the effectiveness of our techniques through extensive experiments.     

P-Tree Structures and Event Horizon: Efficient Event-Set Implementations

This paper describes efficient data structures, namely the Indexed P-tree, Block P-tree, and Indexed-Block P-tree （or/P-tree, BP-tree, and IBP-tree, respectively, for short）, for maintaining future events in a general purpose discrete event simulation system, and studies the performance of their event set algorithms under the event horizon principle. For comparison reasons, some well-known event set algorithms have been selected and studied, that is, the Dynamic-heap and the P-tree algorithms. To gain insight into the performance of the proposed event set algorithms and allow comparisons with the other selected algorithms, they are tested under a wide variety of conditions in an experimental way. The time needed for the execution of the Hold operation is taken as the measure for estimating the average time complexity of the algorithms. The experimental results show that the BP-tree algorithm and the IBP-tree algorithm behave very well with the event set of all the sizes and their performance is almost independent of the stochastic distributions.     

Relations between environmental black carbon sorption and geochemical sorbent characteristics

Pyrogenic carbon particles in sediments (soot and charcoal, collectively termed "black carbon" or BC) appear to be efficient sorbents of many hydrophobic organic compounds, so they may play an important role in the fate and toxicity of these substances. To properly model toxicant sorption behavior, it is important to (i) quantify the magnitude of the role of BC in sorption and (ii) elucidate which geochemical BC characteristics determine the strength of environmental BC sorption. Sorption isotherms of d10-phenanthrene (d10-PHE) were determined over a wide concentration range (0.0003-20 microg/L), for five sediments with widely varying characteristics. From the sorption isotherms, we determined Freundlich coefficients of environmental BC sorption, K(F,BCenv. These varied from 10(4.7) to 10(5.5). From the data, it could be deduced that BC was responsible for 49-85% of the total d10-PHE sorption at a concentration of 1 ng/L. At higher concentrations, the importance of BC for the sorption process diminished to <20% at 1 microg/L and 0-1% at 1 mg/L. There were no significant relationships between BC sorption strength and the tested geochemical BC characteristics [the fraction of small (<38 microm) BC particles, the BC resistance to high-temperature oxidation, the fraction of biomass-derived BC, the native polycyclic aromatic hydrocarbon and total organic carbon contents]. Because of the limited variation in BC sorption strength with widely varying BC characteristics, the presented BC sorption coefficients may putatively be used as generic starting points for environmental modeling purposes.     

Modified classification of sorption isotherms

A new equation is developed in this paper which is further used to divide sorption isotherms into classes which are connected to surface water effects and/or solution water effects and their combinations. It is shown that sorption isotherms can be successfully classified using the new equation into three basic classes I, II (most frequent) and III which roughly correspond to the original Brunauer’s classes. The equation is also used for further division of class II into three subclasses. Criteria for these classifications are presented.     

Comparison of expert-based and empirical evaluation methodologies in the case of a CBL environment: the “Orestis” experience

This paper compares several interface evaluation methods applied in the case of a computer based learning (CBL) environment, during a longitudinal study performed in three European countries, Greece, Germany, and Holland, and within the framework of an EC funded Leonardo da Vinci program. The paper firstly considers the particularities of the CBL environments presented in comparison to Distance Learning environments, as well as other educational pieces. Subsequently, the software under evaluation is described, as well as the underlying educational theories and the proposed instructional methodology regarding its effective application. In the case under study, a combination of expert-based and empirical (user-based) approaches are dealt with, and the “ideal” combination, for the consumption of the fewest possible resources in order to achieve the maximum outcome for the assessment of the software is investigated. A combinatory evaluation approach is argued for the provision of the best results in the case of complex environments such as educational ones. The results of this study show that both approaches, expert-based and empirical, have been found to perform adequately, although the empirical methodologies are always preferable. Therefore, this study concludes by proposing a combination of an expert-based approach during the early stages of the design cycle with an observational evaluation, performed by the instructors and/or the designers, which has to provide the best cost/performance factor.     

Automated Composition of Module Chains

We introduce a problem of module composition. Modules are seen as “black boxes” with input and output ports. A compatibility relation models which input ports can connected to which output ports. We are given a set of available modules and a target module. We want to connect available modules into a chain that implements the target module. Constraints may be given on how many copies of each module can or should appear in the solution chain. Costs may be given on modules or ports or connections, so that an optimal solution with respect to these costs is found. We derive an algorithm to solve the above problem automatically. The algorithm transforms the problem into a shortest-path problem in a graph.