Molybdenum trioxide catalyzed oxidative cross-dehydrogenative coupling of benzylic sp(3) C-H bonds: synthesis of alpha-aminophosphonates under aerobic conditions

Molybdenum trioxide (MoO3) catalyzed efficient oxidative cross-dehydrogenative-coupling (CDC) method for C-H functionalization of N-aryl tetrahydroisoquinolines has been explored. This user-friendly method of synthesizing alpha-aminophosphonates employs 1.1 equiv of dialkyl-H-phosphonate under aerobic condition. Formation of new C-P bonds from unfunctionalized starting materials under environmentally benign conditions provides an excellent avenue for the synthesis of biologically active alpha-aminophosphonates. (C) 2012 Elsevier Ltd. All rights reserved.

Pattern recognition and cellular immune responses to novel Mycobacterium tuberculosis-antigens in individuals from Belarus

Background: Tuberculosis (TB) is an enduring health problem worldwide and the emerging threat of multidrug resistant (MDR) TB and extensively drug resistant (XDR) TB is of particular concern. A better understanding of biomarkers associated with TB will aid to guide the development of better targets for TB diagnosis and for the development of improved TB vaccines. Methods: Recombinant proteins (n = 7) and peptide pools (n = 14) from M. tuberculosis (M.tb) antigens associated with M.tb pathogenicity, modification of cell lipids or cellular metabolism, were used to compare T cell immune responses defined by IFN-gamma production using a whole blood assay (WBA) from i) patients with TB, ii) individuals recovered from TB and iii) individuals exposed to TB without evidence of clinical TB infection from Minsk, Belarus. Results: We identified differences in M.tb target peptide recognition between the test groups, i.e. a frequent recognition of antigens associated with lipid metabolism, e.g. cyclopropane fatty acyl phospholipid synthase. The pattern of peptide recognition was broader in blood from healthy individuals and those recovered from TB as compared to individuals suffering from pulmonary TB. Detection of biologically relevant M.tb targets was confirmed by staining for intracellular cytokines (IL-2, TNF-alpha and IFN-gamma) in T cells from non-human primates (NHPs) after BCG vaccination. Conclusions: PBMCs from healthy individuals and those recovered from TB recognized a broader spectrum of M.tb antigens as compared to patients with TB. The nature of the pattern recognition of a broad panel of M.tb antigens will devise better strategies to identify improved diagnostics gauging previous exposure to M.tb; it may also guide the development of improved TB-vaccines.

GINZBURG-LANDAU LIKE THEORY OF HIGH TEMPERATURE SUPERCONDUCTIVITY IN THE CUPRATES: EMERGENT d-WAVE ORDER

High temperature superconductivity in the cuprates remains one of the most widely investigated, constantly surprising and poorly understood phenomena in physics. Here, we describe briefly a new phenomenological theory inspired by the celebrated description of superconductivity due to Ginzburg and Landau and believed to describe its essence. This posits a free energy functional for the superconductor in terms of a complex order parameter characterizing it. We propose that there is, for superconducting cuprates, a similar functional of the complex, in plane, nearest neighbor spin singlet bond (or Cooper) pair amplitude psi(ij). Further, we suggest that a crucial part of it is a (short range) positive interaction between nearest neighbor bond pairs, of strength J'. Such an interaction leads to nonzero long wavelength phase stiffness or superconductive long range order, with the observed d-wave symmetry, below a temperature T-c similar to zJ' where z is the number of nearest neighbors; d-wave superconductivity is thus an emergent, collective consequence. Using the functional, we calculate a large range of properties, e. g., the pseudogap transition temperature T* as a function of hole doping x, the transition curve T-c(x), the superfluid stiffness rho(s)(x, T), the specific heat (without and with a magnetic field) due to the fluctuating pair degrees of freedom and the zero temperature vortex structure. We find remarkable agreement with experiment. We also calculate the self-energy of electrons hopping on the square cuprate lattice and coupled to electrons of nearly opposite momenta via inevitable long wavelength Cooper pair fluctuations formed of these electrons. The ensuing results for electron spectral density are successfully compared with recent experimental results for angle resolved photo emission spectroscopy (ARPES), and comprehensively explain strange features such as temperature dependent Fermi arcs above T-c and the ``bending'' of the superconducting gap below T-c.

Extent of Structural Asymmetry in Homodimeric Proteins: Prevalence and Relevance

Most homodimeric proteins have symmetric structure. Although symmetry is known to confer structural and functional advantage, asymmetric organization is also observed. Using a non-redundant dataset of 223 high-resolution crystal structures of biologically relevant homodimers, we address questions on the prevalence and significance of asymmetry. We used two measures to quantify global and interface asymmetry, and assess the correlation of several molecular and structural parameters with asymmetry. We have identified rare cases (11/223) of biologically relevant homodimers with pronounced global asymmetry. Asymmetry serves as a means to bring about 2:1 binding between the homodimer and another molecule; it also enables cellular signalling arising from asymmetric macromolecular ligands such as DNA. Analysis of these cases reveals two possible mechanisms by which possible infinite array formation is prevented. In case of homodimers associating via non-topologically equivalent surfaces in their tertiary structures, ligand-dependent mechanisms are used. For stable dimers binding via large surfaces, ligand-dependent structural change regulates polymerisation/depolymerisation; for unstable dimers binding via smaller surfaces that are not evolutionarily well conserved, dimerisation occurs only in the presence of the ligand. In case of homodimers associating via interaction surfaces with parts of the surfaces topologically equivalent in the tertiary structures, steric hindrance serves as the preventive mechanism of infinite array. We also find that homodimers exhibiting grossly symmetric organization rarely exhibit either perfect local symmetry or high local asymmetry. Binding of small ligands at the interface does not cause any significant variation in interface asymmetry. However, identification of biologically relevant interface asymmetry in grossly symmetric homodimers is confounded by the presence of similar small magnitude changes caused due to artefacts of crystallisation. Our study provides new insights regarding accommodation of asymmetry in homodimers.

Singlet-state creation and universal quantum computation in NMR using a genetic algorithm

The experimental implementation of a quantum algorithm requires the decomposition of unitary operators. Here we treat unitary-operator decomposition as an optimization problem, and use a genetic algorithm-a global-optimization method inspired by nature's evolutionary process-for operator decomposition. We apply this method to NMR quantum information processing, and find a probabilistic way of performing universal quantum computation using global hard pulses. We also demonstrate the efficient creation of the singlet state (a special type of Bell state) directly from thermal equilibrium, using an optimum sequence of pulses. © 2012 American Physical Society.

Singlet-state creation and universal quantum computation in NMR using a genetic algorithm

The experimental implementation of a quantum algorithm requires the decomposition of unitary operators. Here we treat unitary-operator decomposition as an optimization problem, and use a genetic algorithm-a global-optimization method inspired by nature's evolutionary process-for operator decomposition. We apply this method to NMR quantum information processing, and find a probabilistic way of performing universal quantum computation using global hard pulses. We also demonstrate the efficient creation of the singlet state (a special type of Bell state) directly from thermal equilibrium, using an optimum sequence of pulses.

Temporal Logics of Repeating Values

Various logical formalisms with the freeze quantifier have been recently considered to model computer systems even though this is a powerful mechanism that often leads to undecidability. In this article, we study a linear-time temporal logic with past-time operators such that the freeze operator is only used to express that some value from an infinite set is repeated in the future or in the past. Such a restriction has been inspired by a recent work on spatio-temporal logics that suggests such a restricted use of the freeze operator. We show decidability of finitary and infinitary satisfiability by reduction into the verification of temporal properties in Petri nets by proposing a symbolic representation of models. This is a quite surprising result in view of the expressive power of the logic since the logic is closed under negation, contains future-time and past-time temporal operators and can express the nonce property and its negation. These ingredients are known to lead to undecidability with a more liberal use of the freeze quantifier. The article also contains developments about the relationships between temporal logics with the freeze operator and counter automata as well as reductions into first-order logics over data words.

Suite of tools for statistical N-gram language modeling for pattern mining in whole genome sequences

Genome sequences contain a number of patterns that have biomedical significance. Repetitive sequences of various kinds are a primary component of most of the genomic sequence patterns. We extended the suffix-array based Biological Language Modeling Toolkit to compute n-gram frequencies as well as n-gram language-model based perplexity in windows over the whole genome sequence to find biologically relevant patterns. We present the suite of tools and their application for analysis on whole human genome sequence.

An Adaptive Conditional Zero-Forcing Decoder With Full-Diversity, Least Complexity and Essentially-ML Performance for STBCs

A low complexity, essentially-ML decoding technique for the Golden code and the three antenna Perfect code was introduced by Sirianunpiboon, Howard and Calderbank. Though no theoretical analysis of the decoder was given, the simulations showed that this decoding technique has almost maximum-likelihood (ML) performance. Inspired by this technique, in this paper we introduce two new low complexity decoders for Space-Time Block Codes (STBCs)-the Adaptive Conditional Zero-Forcing (ACZF) decoder and the ACZF decoder with successive interference cancellation (ACZF-SIC), which include as a special case the decoding technique of Sirianunpiboon et al. We show that both ACZF and ACZF-SIC decoders are capable of achieving full-diversity, and we give a set of sufficient conditions for an STBC to give full-diversity with these decoders. We then show that the Golden code, the three and four antenna Perfect codes, the three antenna Threaded Algebraic Space-Time code and the four antenna rate 2 code of Srinath and Rajan are all full-diversity ACZF/ACZF-SIC decodable with complexity strictly less than that of their ML decoders. Simulations show that the proposed decoding method performs identical to ML decoding for all these five codes. These STBCs along with the proposed decoding algorithm have the least decoding complexity and best error performance among all known codes for transmit antennas. We further provide a lower bound on the complexity of full-diversity ACZF/ACZF-SIC decoding. All the five codes listed above achieve this lower bound and hence are optimal in terms of minimizing the ACZF/ACZF-SIC decoding complexity. Both ACZF and ACZF-SIC decoders are amenable to sphere decoding implementation.

A non-isothiocyanate route to synthesize trisubstituted thioureas of arylamines using in situ generated dithiocarbamates

A novel, user-friendly, and convenient method for the synthesis of trisubstituted thioureas of arylamines is presented, for the first time, using in situ generated dithiocarbamates of secondary amines. This strategy provides an excellent opportunity to access thioureas containing primary aryl amines. A non-isothiocyanate route to obtain thioureas is the advantage of this strategy, which may provide a useful route to synthesize a variety of biologically active derivatives of thioureas.

A stylometric study and assessment of machine translators

In this work we present a statistical approach inspired by stylometry -measurement of author style- to study the characteristics of machine translators. Our approach quantifies the style of a translator in terms of the properties derived from the distribution of stopwords in its output - a standard approach in modern stylometry. Our study enables us to match translated text to the source machine translator that generated them. Also, the stylometric closeness of human generated text to that generated by machine translators provides handles to assess the quality of machine translators.

An Optimal Fuzzy Logic Controller tuned with Artificial Immune System

In this paper, a method for the tuning the membership functions of a Mamdani type Fuzzy Logic Controller (FLC) using the Clonal Selection Algorithm(CSA) a model of the Artificial Immune System(AIS) paradigm is examined. FLC's are designed for two problems, firstly the linear cart centering problem and secondly the highly nonlinear inverted pendulum problem. The FLC tuned by AIS is compared with FLC tuned by GA. In order to check the robustness of the designed PLC's white noise was added to the system, further, the masses of the cart and the length and mass of the pendulum are changed. The PLC's were also tested in the presence of faulty rules. Finally, Kruskal Wallis test was performed to compare the performance of the GA and AIS. An insight into the algorithms are also given by studying the effect of the important parameters of GA and AIS.

Quasi-based hierarchical clustering for land cover mapping using satellite images

This paper presents an improved hierarchical clustering algorithm for land cover mapping problem using quasi-random distribution. Initially, Niche Particle Swarm Optimization (NPSO) with pseudo/quasi-random distribution is used for splitting the data into number of cluster centers by satisfying Bayesian Information Criteria (BIC). Themain objective is to search and locate the best possible number of cluster and its centers. NPSO which highly depends on the initial distribution of particles in search space is not been exploited to its full potential. In this study, we have compared more uniformly distributed quasi-random with pseudo-random distribution with NPSO for splitting data set. Here to generate quasi-random distribution, Faure method has been used. Performance of previously proposed methods namely K-means, Mean Shift Clustering (MSC) and NPSO with pseudo-random is compared with the proposed approach - NPSO with quasi distribution(Faure). These algorithms are used on synthetic data set and multi-spectral satellite image (Landsat 7 thematic mapper). From the result obtained we conclude that use of quasi-random sequence with NPSO for hierarchical clustering algorithm results in a more accurate data classification.

Clustering using Levy Flight Cuckoo Search

In this paper, a comparative study is carried using three nature-inspired algorithms namely Genetic Algorithm (GA), Particle Swarm Optimization (PSO) and Cuckoo Search (CS) on clustering problem. Cuckoo search is used with levy flight. The heavy-tail property of levy flight is exploited here. These algorithms are used on three standard benchmark datasets and one real-time multi-spectral satellite dataset. The results are tabulated and analysed using various techniques. Finally we conclude that under the given set of parameters, cuckoo search works efficiently for majority of the dataset and levy flight plays an important role.

Spectral-spatial MODIS image analysis using swarm intelligence algorithms and region based segmentation for flood assessment

This paper discusses an approach for river mapping and flood evaluation based on multi-temporal time-series analysis of satellite images utilizing pixel spectral information for image clustering and region based segmentation for extracting water covered regions. MODIS satellite images are analyzed at two stages: before flood and during flood. Multi-temporal MODIS images are processed in two steps. In the first step, clustering algorithms such as Genetic Algorithm (GA) and Particle Swarm Optimization (PSO) are used to distinguish the water regions from the non-water based on spectral information. These algorithms are chosen since they are quite efficient in solving multi-modal optimization problems. These classified images are then segmented using spatial features of the water region to extract the river. From the results obtained, we evaluate the performance of the methods and conclude that incorporating region based image segmentation along with clustering algorithms provides accurate and reliable approach for the extraction of water covered region.