Molecular Dynamics simulations of concentrated aqueous electrolyte solutions

Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical conductivity and transport numbers of electrolytes containing monovalent (KCl), divalent (MgCl$_2$), a mixture of both (KCl + MgCl$_2$), and trivalent (LaCl$_3$) cations have been obtained from simulations of the electrolytes in electric fields of different magnitude. The results obtained for different simulation parameters have been discussed and compared with experimental measurements of our own and from the literature. The electroosmotic flow of water molecules induced by the ionic current in the different cases has been calculated and interpreted with the help of the hydration properties extracted from the simulations

Phylogenetic relationships of African Caecilians (Amphibia: Gymnophiona): insights from mitochondrial rRNA gene sequences

Africa (excluding the Seychelles) has a diverse caecilian fauna, including the endemic family Scolecomorphidae and six endemic genera of the more cosmopolitan Caeciliidae. Previous molecular phylogenetic studies have not included any caecilians from the African mainland. Partial 12S and 16S mitochondrial gene sequences were obtained for two species of the endemic African Scolecomorphidae and five species and four genera of African Caeciliids, aligned against previously reported sequences for 16 caecilian species, and analysed using parsimony, maximum likelihood, Bayesian and distance methods. Results are in agreement with traditional taxonomy in providing support for the monophyly of the African Caeciliid genera Boulengerula and Schistometopum and for the Scolecomorphidae. They disagree in indicating that the Caeciliidae is paraphyletic with respect to the Scolecomorphidae. Although more data from morphology and/or molecules will be required to resolve details of the interrelationships of the African caecilian genera, the data provide strong support for at least two origins of caecilians in which the eye is reduced and covered with bone, and do not support the hypotheses that the caecilian assemblages of Africa, and of East and of West Africa are monophyletic

Selectome: a database of positive selection.

Genome wide scans have shown that positive selection is relatively frequent at the molecular level. It is of special interest to identify which protein sites and which phylogenetic branches are affected. We present Selectome, a database which provides the results of a rigorous branch-site specific likelihood test for positive selection. The Web interface presents test results mapped both onto phylogenetic trees and onto protein alignments. It allows rapid access to results by keyword, gene name, or taxonomy based queries. Selectome is freely available at http://bioinfo.unil.ch/selectome/

Neutron depolarization studies of Pd-Ni-Fe-P alloy

Bulk metallic glasses based on the quaternary alloy Pd-Ni-Fe-P exhibit interesting phase behavior depending on temperature and applied magnetic field. Previous work has suggested that a range of magnetic phases including paramagnetic, superparamagnetic, ferromagnetic and spin glass can be observed in this system. We have applied one dimensional neutron depolarization to explore the correlation of magnetic moments in Pd40Ni22.5Fe17.5P20 alloy as a function of temperature and applied magnetic field. The results provided evidence for correlation lengths of ~ 200 Å. The nature of the correlations and the formation mechanism of the induced ferromagnetic phase are discusse

A Denotational Semantics for First-Order Logic

In Apt and Bezem [AB99] (see cs.LO/9811017) we provided a computational interpretation of first-order formulas over arbitrary interpretations. Here we complement this work by introducing a denotational semantics for first-order logic. Additionally, by allowing an assignment of a non-ground term to a variable we introduce in this framework logical variables. The semantics combines a number of well-known ideas from the areas of semantics of imperative programming languages and logic programming. In the resulting computational view conjunction corresponds to sequential composition, disjunction to ``don't know'' nondeterminism, existential quantification to declaration of a local variable, and negation to the ``negation as finite failure'' rule. The soundness result shows correctness of the semantics with respect to the notion of truth. The proof resembles in some aspects the proof of the soundness of the SLDNF-resolution.Comment: 17 pages. Invited talk at the Computational Logic Conference (CL 2000). To appear in Springer-Verlag Lecture Notes in Computer Scienc

Use of cumulative mortality data in patients with acute myocardial infarction for early detection of variation in clinical practice: observational study

OBJECTIVES: Use of cumulative mortality adjusted for case mix in patients with acute myocardial infarction for early detection of variation in clinical practice. DESIGN: Observational study. SETTING: 20 hospitals across the former Yorkshire region. PARTICIPANTS: All 2153 consecutive patients with confirmed acute myocardial infarction identified during three months. MAIN OUTCOME MEASURES: Variable life­adjusted displays showing cumulative differences between observed and expected mortality of patients; expected mortality calculated from risk model based on admission characteristics of age, heart rate, and systolic blood pressure. RESULTS: The performance of two individual hospitals over three months was examined as an example. One, the smallest district hospital in the region, had a series of 30 consecutive patients but had five more deaths than predicted. The variable life­adjusted display showed minimal variation from that predicted for the first 15 patients followed by a run of unexpectedly high mortality. The second example was the main tertiary referral centre for the region, which admitted 188 consecutive patients. The display showed a period of apparently poor performance followed by substantial improvement, where the plot rose steadily from a cumulative net lives saved of - 4 to 7. These variations in patient outcome are unlikely to have been revealed during conventional audit practice. CONCLUSIONS: Variable life­adjusted display has been integrated into surgical care as a graphical display of risk­adjusted survival for individual surgeons or centres. In combination with a simple risk model, it may have a role in monitoring performance and outcome in patients with acute myocardial infarction

Cosmic distance-duality as probe of exotic physics and acceleration

In cosmology, distances based on standard candles (e.g. supernovae) and standard rulers (e.g. baryon oscillations) agree as long as three conditions are met: (1) photon number is conserved, (2) gravity is described by a metric theory with (3) photons travelling on unique null geodesics. This is the content of distance-duality (the reciprocity relation) which can be violated by exotic physics. Here we analyse the implications of the latest cosmological data sets for distance-duality. While broadly in agreement and confirming acceleration we find a 2-sigma violation caused by excess brightening of SN-Ia at z > 0.5, perhaps due to lensing magnification bias. This brightening has been interpreted as evidence for a late-time transition in the dark energy but because it is not seen in the d_A data we argue against such an interpretation. Our results do, however, rule out significant SN-Ia evolution and extinction: the "replenishing" grey-dust model with no cosmic acceleration is excluded at more than 4-sigma despite this being the best-fit to SN-Ia data alone, thereby illustrating the power of distance-duality even with current data sets.Comment: 6 pages, 4 colour figures. Version accepted as a Rapid Communication in PR

Genetic analysis of human absence epilepsy

Idiopathic Mendelian epilepsies have been typically identified as channelopathies. Evidence suggests that mutations in genes encoding GABAA receptors, GABAB receptors or voltage-dependent calcium channels (VDCCs) may underlie childhood absence epilepsy (CAE), an idiopathic generalised epilepsy with complex inheritance. The aims of this project were: i) Ascertainment of a patient resource ii) Investigation of candidate genes by linkage analysis iii) Mutation analysis by direct sequencing iv) Construction of single nucleotide polymorphism (SNP) based haplotypes in candidate genes v) Intra-familial association analysis using SNP based haplotypes DNA and clinical data were obtained from: 53 nuclear CAE pedigrees; 29 families including individuals with CAE and a broader „absence‟ epilepsy phenotype; 217 parent-child trios; a North American family in which absence epilepsy segregates with episodic ataxia type 2 (EA2) Sixteen calcium channel genes and seven GABAA and two GABAB receptor subunit genes were excluded by linkage analysis. Significant linkage was demonstrated for CACNG3 on chromosome 16p12-p13.1 for both CAE and the broader absence phenotype. Positive linkage was also obtained at the GABRA5, GABRB3, GABRG3 cluster on chromosome 15q11-q13. Non-parametric linkage analysis was significant at both the 16p and 15q loci. Two-locus analysis supported a digenic effect from these two loci. Sequencing of CACNG3 revealed 34 sequence variants, none clearly causal, although bioinformatic analysis provided supportive functional evidence. Association analysis showed significant transmission disequilibrium both for individual single nucleotide polymorphisms (SNPs) and SNP based haplotypes spanning CACNG3. This work has provided genetic evidence that CACNG3 and at least one of the three GABAA receptor genes are susceptibility loci for absence epilepsy. Linkage analysis performed in the family with absence epilepsy and EA2 was suggestive that the VDCC CACNA1A was the causative gene. This was subsequently confirmed by sequence analysis in collaboration with the Institute of Neurology, UCL. This is the first reported family in which a CACNA1A mutation that impairs calcium channel function cosegregates with typical absence seizures and 3Hz spike-wave discharges on EEG

The LBDS Hercules sample of mJy radio sources at 1.4 GHz - II. Redshift distribution, radio luminosity function, and the high-redshift cut-off

{Abridged} A combination of spectroscopy and broadband photometric redshifts has been used to find the complete redshift distribution of the Hercules sample of millijansky radio sources. These data have been used to examine the evolution of the radio luminosity function (RLF) and its high-redshift cut-off. New redshifts have been measured for eleven sources, and a further ten upper limits are given. The total number of sources with known redshifts in the sample is now 47 (65%). We calculated broadband photometric redshifts for the remaining one-third of the sample. For the luminosity range probed by the present study (P_1.4 > 10^24.5 W/Hz/sr), we use the V/V_max test to show conclusively that there is a deficit of high-redshift (z > 2-2.5) objects. Comparison with the model RLFs of Dunlop & Peacock (1990) shows that our data can now exclude pure luminosity evolution. Two of the models of DP90, and the RLF deduced by direct binning of the data, both favour a luminosity dependence for the high-redshift cut-off, with lower-luminosity sources (P_1.4 \simeq 10^24 W/Hz/sr) in decline by z \simeq 1-1.5 while higher-luminosity sources (P_1.4 \simeq 10^{25-26} W/Hz/sr) decline in comoving number density beyond z \simeq 2-2.5.Comment: Revised version submitted to MNRAS. 16 pages, 12 figure

An alternative approach to the construction of Schur-Weyl transform

We propose an alternative approach for the construction of the unitary matrix which performs generalized unitary rotations of the system consisting of independent identical subsystems (for example spin system). This matrix, when applied to the system, results in a change of degrees of freedom, uncovering the information hidden in non-local degrees of freedom. This information can be used, inter alia, to study the structure of entangled states, their classification and may be useful for construction of quantum algorithms.Comment: 6 page