Continuous Levels‐of‐Detail and Visual Abstraction for Seamless Molecular Visualization

Molecular visualization is often challenged with rendering of large molecular structures in real time. We introduce a novel approach that enables us to show even large protein complexes. Our method is based on the level‐of‐detail concept, where we exploit three different abstractions combined in one visualization. Firstly, molecular surface abstraction exploits three different surfaces, solvent‐excluded surface (SES), Gaussian kernels and van der Waals spheres, combined as one surface by linear interpolation. Secondly, we introduce three shading abstraction levels and a method for creating seamless transitions between these representations. The SES representation with full shading and added contours stands in focus while on the other side a sphere representation of a cluster of atoms with constant shading and without contours provide the context. Thirdly, we propose a hierarchical abstraction based on a set of clusters formed on molecular atoms. All three abstraction models are driven by one importance function classifying the scene into the near‐, mid‐ and far‐field. Moreover, we introduce a methodology to render the entire molecule directly using the A‐buffer technique, which further improves the performance. The rendering performance is evaluated on series of molecules of varying atom counts.     

Approximate Symmetry Detection in Partial 3D Meshes

Symmetry is a common characteristic in natural and man‐made objects. Its ubiquitous nature can be exploited to facilitate the analysis and processing of computational representations of real objects. In particular, in computer graphics, the detection of symmetries in 3D geometry has enabled a number of applications in modeling and reconstruction. However, the problem of symmetry detection in incomplete geometry remains a challenging task. In this paper, we propose a vote‐based approach to detect symmetry in 3D shapes, with special interest in models with large missing parts. Our algorithm generates a set of candidate symmetries by matching local maxima of a surface function based on the heat diffusion in local domains, which guarantee robustness to missing data. In order to deal with local perturbations, we propose a multi‐scale surface function that is useful to select a set of distinctive points over which the approximate symmetries are defined. In addition, we introduce a vote‐based scheme that is aware of the partiality, and therefore reduces the number of false positive votes for the candidate symmetries. We show the effectiveness of our method in a varied set of 3D shapes and different levels of partiality. Furthermore, we show the applicability of our algorithm in the repair and completion of challenging reassembled objects in the context of cultural heritage.     

Influence of anionic form on thermooxidation of TMAHP–cellulose

With the help of DTA, DTG elementary analysis of carbonized residues and ESR spectroscopy the influence of anionic form on thermooxidation of trimethylammoniumhydroxyprophyl (TMAHP)–cellulose was studied. At 300°C the percentage of carbon in carbonized residue thermolyzed in oxidative atmosphere is higher than for the sample degraded in inert atmosphere. The percentage of hydrogen decreases simultaneously. The concentration of free radicals in thermolyzed residue also increases due to the presence of oxygen. We propose that oxygen is abstracting the hydrogen atoms from polysaccharide and unpaired electrons on carbon atoms are produced. At 400°C the percentage of carbon in residues prepared at inert atmosphere is higher than for residue formed at oxidative atmosphere. Also the concentration of free radicals in thermolyzed residues obtained in inert atmosphere is greater than for those from oxidative ones. That is why suppose that at this temperature oxygen is bonded to polysaccharide residue and free radicals are terminated. From the semiquantitative DTA we can make the following sequence of samples according to their increasing thermooxidative effect: unmodified cellulose < A–HSO < A–Br^? < A–I^? < A–NO < A–H₂PO < A–CH₃COO^? < A–HCO < A–F^? < A–Cl^?1 < A–OH^p?.     

The potentiometric behaviour of copolymers of methacrylic acid in water-ethanol solutions

Summary The synthesis is reported of copolymers of styrene with methacrylic acid and of methyl methacrylate with methacrylic acid by radical copolymerization, of copolymers of methyl methacrylate with methacrylic acid by partial alkaline hydrolysis of poly(methyl methacrylate), and of block copolymers of styrene with methacrylic acid. Modified titration curves of all these copolymers were recorded in water and water-ethanol solutions. In a solution containing 50 mass.% ethanol, only small differences could be observed between the potentiometric behaviour of the individual copolymers and polymethacrylic acid. Also, there were no essential differences in any of the solvents used between the potentiometric behaviour of block copolymers of styrene with methacrylic acid, on the one hand, and polymethacrylic acid, on the other. On the contrary, maxima and minima were always observed on the modified titration curves of statistical copolymers with a higher content of the hydrophobic comonomer in solutions with a high water content. Thus, using the modified titration curves, it is possible to decide whether a given copolymer is of the block or statistical type.     

Investigation of Flow Patterns in Continuous‐flow Stirred Vessels by Laser Doppler Velocimetry

The flow structure of a continuous‐flow reactor stirred by a Rushton turbine was investigated by laser Doppler velocimetry for two different mean residence time‐mixing time ratios. Velocity measurements were obtained for two inlet locations, corresponding to the incoming liquid stream being fed co‐currently or counter‐currently to the flow discharged by the turbine. In all investigated configurations and for all operating conditions, it was found that the flow disruption caused by the incoming liquid stream was observable mainly in the first vessel quarter, which followed the feed‐tube plane. From comparison of the velocities encountered in the various planes in the continuous‐flow reactor to the velocities of the batch reactor, it was also concluded that it may be possible to intensify the usage of the turbine‐stirred vessel by decreasing the characteristic times ratio, without considerable flow by‐pass and/or short‐circuiting problems.     

Ideals and congruences of basic algebras

MV-algebras as well as orthomodular lattices can be seen as a particular case of so-called “basic algebras” which are an alter ego of bounded lattices whose sections are equipped with fixed antitone involutions. The class of basic algebras is an ideal variety. In the paper, we give an internal characterization of congruence kernels (ideals) and find a finite basis of ideal terms, with focus on monotone and effect basic algebras. We also axiomatize basic algebras that are subdirect products of linearly ordered ones.     

Validation of GOES and MODIS active fire detection products using ASTER and ETM+ data

In this study we implemented a comprehensive analysis to validate the MODIS and GOES satellite active fire detection products (MOD14 and WFABBA, respectively) and characterize their major sources of omission and commission errors which have important implications for a large community of fire data users. Our analyses were primarily based on the use of 30 m resolution ASTER and ETM+ imagery as our validation data. We found that at the 50% true positive detection probability mark, WFABBA requires four times more active fire area than is necessary for MOD14 to achieve the same probability of detection, despite the 16× factor separating the nominal spatial resolutions of the two products. Approximately 75% and 95% of all fires sampled were omitted by the MOD14 and WFABBA instantaneous products, respectively; whereas an omission error of 38% was obtained for WFABBA when considering the 30-minute interval of the GOES data. Commission errors for MOD14 and WFABBA were found to be similar and highly dependent on the vegetation conditions of the areas imaged, with the larger commission errors (approximately 35%) estimated over regions of active deforestation. Nonetheless, the vast majority (> 80%) of the commission errors were indeed associated with recent burning activity where scars could be visually confirmed in the higher resolution data. Differences in thermal dynamics of vegetated and non-vegetated areas were found to produce a reduction of approximately 50% in the commission errors estimated towards the hours of maximum fire activity (i.e., early-afternoon hours) which coincided with the MODIS/Aqua overpass. Lastly, we demonstrate the potential use of temporal metrics applied to the mid-infrared bands of MODIS and GOES data to reduce the commission errors found with the validation analyses.     

Bringing law and order to IEEE 802.11 networks—A case for DiscoSec

To improve the tarnished reputation of WLAN security, the new IEEE 802.11i standard provides means for mutual user authentication and assures confidentiality of user data. However, the IEEE 802.11 link-layer is still highly vulnerable to a plethora of simple, yet effective attacks which further jeopardize the already fragile security of wireless communications.Some of these vulnerabilities are related to limited hardware capabilities of access points and their abuse may result in serious degradation of control over the wireless connection, which, especially in the case of broadcast communication, allows for client hijacking attacks. Although these issues are known and their impact is expected to be less prevalent on modern equipment, this work demonstrates the opposite. In our experimental analysis, we tested frequently used access points, and by forcing them to operate on their performance limits, we identified significant operational anomalies and demonstrated their impact on security by implementing a novel version of the Man-In-The-Middle attack, to which we refer as the Muzzle attack.Secondly, this work describes DiscoSec, a solution for “patching” WLANs against a variety of such link-layer attacks. DiscoSec provides DoS-resilient key exchange, an efficient frame authentication, and a performance-oriented implementation. By means of extensive real-world measurements DiscoSec is evaluated, showing that even on very resource-limited devices the network throughput is decreased by only 22% compared to the throughput without any authentication, and by 6% on more performance-capable hardware. To demonstrate its effectiveness, DiscoSec is available as an open-source IEEE 802.11 device driver utilizing well-established cryptographic primitives provided by the Linux Crypto API and OpenSSL library.     

Influence of grain boundary weak links on the nonequilibrium response of YBaCuO thin films to short laser pulses

The transient voltage response in both epitaxial and granular YBaCuO thin films to 80 ps pulses of YAGNd laser radiation of wavelength 0.63 and 1.54 m was studied. In the normal and resistive states both types of films demonstrate two components: a nonequilibrium picosecond component and a bolometric nanosecond one. The normalized amplitudes are almost the same for all films. In the superconducting state we observed a kinetic inductive response and two-component shape after integration. The normalized amplitude of the response in granular films is up to five orders of magnitude larger than in epitaxial films. We interpret the nonequilibrium response in terms of a suppression of the order parameter by the excess of quasiparticles followed by the change of resistance in the normal and resistive states or kinetic inductance in the superconducting state. The sharp rise of inductive response in granular films is explained both by a diminishing of the cross section for current percolation through the disordered network of Josephson weak links and by a decrease of condensate density in neighboring regions.