An improvement in the calculation of the magnetic field for an arbitrary geometry coil with rectangular cross section Int. J. Numer. Model. 2005; 18(6):493–504

The above article was published in Volume 18, Issue 6, Pages 493–504, (October 2005). A number of imperfections were subsequently identified and have been corrected below. On page 497, the following equation has been corrected to: On page 501, the following equation has been corrected to: On page 502, the following equation has been corrected to:      

Effects of liquid burn rate catalysts on Rheological Properties of High-Energy Composite Propellants

Effects of several liquid burning rate catalysts on rheological properties of composite rocket propellants on the basis of hydroxy-terminated polybutadiene as a binder and ammonium perchlorate as an oxidizer have been examined. Theoretical explanation of the observed effects of liquid catalysts on certain rheological properties of the mentioned propellants are given. Laboratory procedures for synthesis of used catalysts are described. The results of physico-chemical characterization of synthesized catalyst are also presented.     

Synthesis and Antimicrobial Activity of Short Analogues of the Marine Antimicrobial Peptide Turgencin A: Effects of SAR Optimizations,Cys-Cys Cyclization and Lipopeptide Modifications

We have synthesised short analogues of the marine antimicrobial peptide Turgencin A from the colonial Arctic ascidian Synoicum turgens. In this study, we focused on a central, cationic 12-residue Cys-Cys loop region within the sequence. Modified (tryptophan- and arginine-enriched) linear peptides were compared with Cys-Cys cyclic derivatives, and both linear and Cys-cyclic peptides were N-terminally acylated with octanoic acid (C₈), decanoic acid (C₁₀) or dodecanoic acid (C₁₂). The highest antimicrobial potency was achieved by introducing dodecanoic acid to a cyclic Turgencin A analogue with low intrinsic hydrophobicity, and by introducing octanoic acid to a cyclic analogue displaying a higher intrinsic hydrophobicity. Among all tested synthetic Turgencin A lipopeptide analogues, the most promising candidates regarding both antimicrobial and haemolytic activity were C₁₂-cTurg-1 and C₈-cTurg-2. These optimized cyclic lipopeptides displayed minimum inhibitory concentrations of 4 µg/mL against Staphylococcus aureus, Escherichia coli and the fungus Rhodothorula sp. Mode of action studies on bacteria showed a rapid membrane disruption and bactericidal effect of the cyclic lipopeptides. Haemolytic activity against human erythrocytes was low, indicating favorable selective targeting of bacterial cells.     

Calculation of excess molar volumes with different cubic equations of state and different mixing rules

The effects of the simple composition-dependent combining rules (conventional, Adachi-Sugie and van Laar-Stryjek-Vera-type) and Huron-Vidal-NRTL mixing rules and different cubic equations of state (Redlich-Kwong, Soave-Redlich-Kwong, Peng-Robinson and Peng-Robinson-Stryjek-Vera) on excess molar volume correlation are examined. The results obtained for some asymmetric non-ideal mixtures indicate very good agreement between correlated and experimental data in all cases when Huron-Vidal-NRTL mixing rules are coupled with the Peng-Robinson-Stryjek-Vera equation of state.     

The Value of Considering Autocorrelation Between Inflows in the Stochastic Planning of Water Resource Systems

Reliability programming formulations offer a family ofexplicit stochastic models for planning the operationof complex water resources systems. These models usecumulative probability distributions of the sum ofinflows to characterize their variability in theplanning period. Applicability of these models for avariety of problems has been limited, mainly due tothe assumption of independence between inflows indifferent time periods that leads to the derivation ofconservative operating policies. This paper presentsthree new approaches to overcome this limitation. Theperformance of the proposed approaches is demonstratedthrough comparison of the operating policies derivedfrom these approaches and the Independent Approach. Operational planning of the Manitoba Hydro energygeneration system, a predominantly hydro-based utilitycompany in Manitoba (Canada), is used as the case study.     

Two-dimensional correlation analysis of nuclear magnetic resonance metabonomics data

Two-dimensional (2D) correlation analysis has been used in this study to identify changes in complex nuclear magnetic resonance (NMR) metabonomics spectra of rat urine samples obtained during a study in which vasculitis (vascular injury), an important safety element in preclinical trials, was induced. Two types of correlation analysis were performed, along the variables and along the samples, and both 2D covariance and correlation coefficient maps were calculated. The binned and 'raw' NMR spectra were analyzed (0.04 and 0.001 ppm resolution, respectively). Good correlation was found among the major peaks of the binned spectra, and two groups of samples were identified using sample-sample 2D correlation maps. Much more complex correlation features were obtained from the 'raw' spectra, in which the specific, butterfly-like patterns were obtained in the covariance map but with only a few significant correlation coefficients in the corresponding 2D correlation maps. In terms of classification, the same group of the last nine spectra that indicated the end of the process and clustered in the 2D sample-sample covariance map of the binned data was also found in the 2D sample-sample covariance map of the raw NMR spectra but, again, not in the 2D correlation coefficient map. A discussion is given on the details of the application of the correlation analysis with regard to spectral data resolution, alignment, the effect of actual intensities of the NMR signal, and reference to various results from 2D correlation analysis of vibrational spectra.     

Analyzing Raman maps of pharmaceutical products by sample-sample two-dimensional correlation

Sample-sample (SS) two-dimensional (2D) correlation spectroscopy is applied in this study as a spectral selection tool to produce chemical images of real-world pharmaceutical samples consisting of two, three, and four components. The most unique spectra in a Raman mapping spectral matrix are found after analysis of the covariance matrix. (This is obtained by multiplying the original mapping data matrix by itself.) These spectra are identified by analyzing the slices of the covariance matrix at the positions where covariance values are at maxima. Chemical images are subsequently produced in a univariate fashion by visually selecting the wavenumbers in the extracted spectra that are least overlapped. The performance of SS 2D correlation is compared with principal component analysis in terms of highlighting the most prominent spectral differences across the whole data set (which typically comprises several thousand spectra) and determining the total number of species present. In addition, the selection of the unique spectra by SS 2D correlation is compared with the selection obtained by the orthogonal projection approach (OPA). Both comparisons are found to be satisfactory and demonstrate that a quite simple SS 2D correlation routine can be used for producing reliable images of unknown samples. The main benefit of using SS 2D correlation is that it is based on a few data processing commands that can be executed separately and produce results that are closely related to the chemical features of the system.     

Collaborative Filtering Using a Regression-Based Approach

The task of collaborative filtering is to predict the preferences of an active user for unseen items given preferences of other users. These preferences are typically expressed as numerical ratings. In this paper, we propose a novel regression-based approach that first learns a number of experts describing relationships in ratings between pairs of items. Based on ratings provided by an active user for some of the items, the experts are combined by using statistical methods to predict the users preferences for the remaining items. The approach was designed to efficiently address the problem of data sparsity and prediction latency that characterise collaborative filtering. Extensive experiments on Eachmovie and Jester benchmark collaborative filtering data show that the proposed regression-based approach achieves improved accuracy and is orders of magnitude faster than the popular neighbour-based alternative. The difference in accuracy was more evident when the number of ratings provided by an active user was small, as is common for real-life recommendation systems. Additional benefits were observed in predicting items with large rating variability. To provide a more detailed characterisation of the proposed algorithm, additional experiments were performed on synthetic data with second-order statistics similar to that of the Eachmovie data. Strong experimental evidence was obtained that the proposed approach can be applied to data over a large range of sparsity scenarios and is superior to non-personalised predictors even when ratings data are very sparse.     

Chemical Ecology of Cave-Dwelling Millipedes: Defensive Secretions of the Typhloiulini (Diplopoda,Julida, Julidae)

Cave animals live under highly constant ecological conditions and in permanent darkness, and many evolutionary adaptations of cave-dwellers have been triggered by their specific environment. A similar “cave effect” leading to pronounced chemical interactions under such conditions may be assumed, but the chemoecology of troglobionts is mostly unknown. We investigated the defensive chemistry of a largely cave-dwelling julid group, the controversial tribe “Typhloiulini”, and we included some cave-dwelling and some endogean representatives. While chemical defense in juliform diplopods is known to be highly uniform, and mainly based on methyl- and methoxy-substituted benzoquinones, the defensive secretions of typhloiulines contained ethyl-benzoquinones and related compounds. Interestingly, ethyl-benzoquinones were found in some, but not all cave-dwelling typhloiulines, and some non-cave dwellers also contained these compounds. On the other hand, ethyl-benzoquinones were not detected in troglobiont nor in endogean typhloiuline outgroups. In order to explain the taxonomic pattern of ethyl-benzoquinone occurrence, and to unravel whether a cave-effect triggered ethyl-benzoquinone evolution, we classed the “Typhloiulini” investigated here within a phylogenetic framework of julid taxa, and traced the evolutionary history of ethyl-benzoquinones in typhloiulines in relation to cave-dwelling. The results indicated a cave-independent evolution of ethyl-substituted benzoquinones, indicating the absence of a “cave effect” on the secretions of troglobiont Typhloiulini. Ethyl-benzoquinones probably evolved early in an epi- or endogean ancestor of a clade including several, but not all Typhloiulus (basically comprising a taxonomic entity known as “Typhloiulus sensu stricto”) and Serboiulus. Ethyl-benzoquinones are proposed as novel and valuable chemical characters for julid systematics.