Identifying essential proteins using modified-monkey algorithm (MMA)

Proteins are the most essential macromolecules needed for the normal flow of life. Essential proteins play a key role to control other proteins in an interaction network for the growth and understanding of the molecular mechanism of cellular life. Though there are many computational algorithms for essential drug discovery depending on nature of essential proteins, but still lots of improvements and optimizations are required. In this work, modified-Monkey algorithm (MMA) is proposed for the identification of essential proteins in protein-protein interaction network (PPIN). Nature of a monkey can be distinctly described in three processes like climb, watch-jump, and somersault in different problem spaces. These processes of monkey traversal are plotted in PPIN with objective to find out essential proteins. Performance of MMA is assessed with other existing essential protein prediction methodologies, including Eigenvector Centrality (EC), Betweenness Centrality (BC), Network Centrality (NC) and others also. The proposed methodology has achieved higher success rates in comparison to the existing state-of-art model.     

A simple approach to reduce dimensionality from comprehensive two-dimensional liquid chromatography coupled with a multichannel detector

Comprehensive two-dimensional liquid chromatographic (LC × LC) systems play an ever increasing role in separation and characterization of complex samples. When coupled with multichannel detectors, such as the diode array detector, these LC × LC systems become especially useful for non-target analysis and identification of patterns based on the information extracted from those complex samples. Nevertheless, due to the large amount of data generated by these systems, the extraction of useful information for the identification of patterns still is one of the major drawbacks for a wider application of this technique. As a preliminary step in data treatment, we have developed a simple and fast way to deal with this large amount of multi-dimensional data by identifying the three-dimensional (3D) regional maxima of each chromatographic peak generated in a LC × LC–DAD system: retention times at the peak maximum in the first- and second-dimensions and the wavelength of the maximum UV absorption. This dataset is then used to build a 3D fingerprinting of the given sample, which alongside the 3D fingerprinting of other samples, can be used to identify different patterns associated with the specific properties of every sample under study. The applicability of the developed methodology was further assessed by performing a non-target LC × LC–DAD analysis of four Portuguese red wine samples.     

Synthesis,Characterization and Antimicrobial Activity of a New Aromatic Sulfonyl Hydrazone Derivative and Its Transition Metal Complexes

In this study, benzenesulfonicacid‐1‐methylhydrazide (bsmh) derivatives such as 2‐hydroxy‐1‐naphtaldehydebenzenesulfonylhydrazone (Hnafbsmh) and its Ni(II), Pd(II), Pt(II), Cu(II), Co(II) complexes were synthesized. The structures of these complexes were investigated using elemental analyses (FT‐IR, LC‐MS, UV‐VIS), magnetic susceptibility and conductivity measurement techniques. The complexes were found to have general compositions [ML₂]. All the synthesized complexes were evaluated in vitro as antimicrobial agents against representative strains of six gram‐positive and four gram‐negative bacteria and as an antifungal agent by disc diffusion methods. All the bacteria and fungi studied were screened against some commercial antibiotics to compare them with our chemical's zone diameters.     

Opinion polarization by learning from social feedback

We explore a new mechanism to explain polarization phenomena in opinion dynamics in which agents evaluate alternative views on the basis of the social feedback obtained on expressing them. High support of the favored opinion in the social environment is treated as a positive feedback which reinforces the value associated to this opinion. In connected networks of sufficiently high modularity, different groups of agents can form strong convictions of competing opinions. Linking the social feedback process to standard equilibrium concepts we analytically characterize sufficient conditions for the stability of bi-polarization. While previous models have emphasized the polarization effects of deliberative argument-based communication, our model highlights an affective experience-based route to polarization, without assumptions about negative influence or bounded confidence.     

Laminar flow in a complex geometry: A comparison

This paper reports on the outcome of a workshop of the IAHR Working Group on Refined Modelling of Flows on the subject of computing laminar flows in complex geometries. Flow inside a channel with a smooth expansion was chosen by the organizers of the workshop as a suitable test case for assessing the capabilities of current numerical methods. The results obtained by fifteen participant groups are presented and compared against a suitable benchmark solution. The most important considerations that emerged at the workshop are briefly reported and the conclusions arising from an analysis and comparison of the various solutions are finally provided.     

Isometry theorem for the Segal-Bargmann transform on a noncompact symmetric space of the complex type

We consider the Segal-Bargmann transform on a noncompact symmetric space of the complex type. We establish isometry and surjectivity theorems for the transform, in a form as parallel as possible to the results in the dual compact case. The isometry theorem involves integration over a tube of radius R in the complexification, followed by analytic continuation with respect to R. A cancellation of singularities allows the relevant integral to have a nonsingular extension to large R, even though the function being integrated has singularities.     

Unitary equivalence to a complex symmetric matrix: An algorithm

We present a necessary and sufficient condition for a 3×3 matrix to be unitarily equivalent to a symmetric matrix with complex entries, and an algorithm whereby an arbitrary 3×3 matrix can be tested. This test generalizes to a necessary and sufficient condition that applies to almost every n×n matrix. The test is constructive in that it explicitly exhibits the unitary equivalence to a complex symmetric matrix.     

Simulation of methane turbulent swirling flame in the TECFLAM combustor

A presumed probability density function (PDF) model for temperature fluctuation is proposed and formulated in this paper. It incorporates the four-step reaction mechanism of methane combustion. A set of analytical expressions is derived for the time-averaged four-step reaction rates. The model is employed to numerically simulate methane turbulent swirling flame in the TECFLAM combustor. The calculated gas axial, radial and tangential velocities, species mass fractions, temperature, and temperature fluctuation are compared with the measured test data. Agreement is achieved between the calculation and the measurement.     

稀土邻菲咯啉双核配合物的光谱研究

合成了 Yx Eu1-x(phen) 2 Cl3· n H2 O、Tbx Eu1-x(phen) 2 Cl3· n H2 O(x=0、0 .2 5、0 .5 0、0 .75 )固体配合物 ,并测定了红外光谱、荧光发射光谱 ,讨论了配合物的组成与发光特性     

磷钼钨杂多酸-3,3′,5,5′-四甲基联苯胺电荷转移复合物的形成与光谱研究

采用紫外一可见光谱和红外光谱法研究了磷钼钨杂多酸和-3，3′，5，5′-四甲基联苯胺形成的电荷转移复合物的性质，结果表明杂多阴离子为Keggin结构，电荷转移复合物的特征吸收波长为660nm，在聚乙烯醇介质中，溶液吸光度与钼的浓度呈线性相关。