Coarse-graining the dynamics of network evolution: the rise and fall of a networked society

We explore a systematic approach to studying the dynamics of evolving networks at a coarse-grained, system level. We emphasize the importance of finding good observables (network properties) in terms of which coarse grained models can be developed. We illustrate our approach through a particular social network model: the "rise and fall" of a networked society [1]: we implement our low-dimensional description computationally using the equation-free approach and show how it can be used to (a) accelerate simulations and (b) extract system-level stability/bifurcation information from the detailed dynamic model. We discuss other system-level tasks that can be enabled through such a computer-assisted coarse graining approach.Comment: 18 pages, 11 figure

Clinical profile and the outcome of corrosive injury of GI tract

Background: Corrosive substances are common household substances that can be ingested either accidentally or intentionally with suicidal intent. The present study was conducted to analyse the clinical profile of 50 cases of corrosive injury of GI tract and to analyse the outcome of 50 cases of corrosive injury of GI tract.Methods: The Cross-sectional study was conducted on 50 cases admitted in the toxicology ward in Rajiv Gandhi Government General Hospital, madras medical college, Chennai over a period of six months. Patients with history of corrosive ingestion presenting within 24 hours of ingestion subjected to Upper GI endoscopy within 24 hours of admission. Patients presenting after 24 hours, with respiratory distress, suspected perforation either radiologically clinically and normal findings in Upper GI endoscopy were excluded. The patients were serially followed and were subjected for a re-look upper GI endoscopy after 6 weeks and the findings were compared.Results: Corrosive ingestion was more common in the age group 20-30 years and more common in males. Acid ingestion was almost twice as common as alkali ingestion. Suicidal ingestion was the most common circumstance of consumption and associated with higher grade of injury. Patients with ingestion of more than 50 ml had higher grades of injury and also were at higher risk of strictures. The spectrum of injury to the GI tract revealed esophageal injury of grade II b to be the most common finding with the duodenum being spared in majority of the cases.Conclusions: In our study, Patients with ingestion of more than 50ml had higher grades of injury and also were at higher risk of strictures. While the lesser grade injuries (0, I, IIa) were associated with complete recovery with no sequelae, the more severe grades (IIb and IIIa) were associated with higher incidence of strictures especially the circumferential lesions.  Oesophageal strictures are commonly associated with suicidal corrosive ingestion. All patients with corrosive ingestion should be subjected to early UGIE and after 6 weeks to identify stricture formation

Defense related enzyme induction in coconut by endophytic bacteria (EPC 5)

Endophytic bacteria Bacillus subtilis (EPC 5) was isolated and tested in vitro along with Pseudomonas fluorescens (Pf1) and the fungus Trichoderma viride (Tv1) against Ganoderma lucidum (Leys) Karst, the causal agent of basal stem rot on coconut palm. The endophytic bacterial strains namely EPC 5 and EPC 8 showed higher vigor index (germination percentage, root and shoot length) and more inhibition against G. lucidum over un-inoculated control. These strains were confirmed as Bacillus subtilis by biochemical tests, cloning and sequencing of internal transcribed spacer (ITS) region. The Bacillus subtilis (EPC 5) along with Pseudomonas fluorescens (Pf1) and Trichoderma viride (Tv1) has been tried as bioconsortia against basal stem rot disease under greenhouse conditions. The soil application of bioconsortia enriched with farm yard manure (FYM) enhanced the coconut saplings growth under greenhouse conditions and showed higher induction of defense related enzymes like peroxidase, polyphenol oxidase, phenylalanine ammonia lyase and phenols when challenged with pathogen

Molecular docking of fisetin as a multi-target drug in the treatment of Parkinson’s disease

Fisetin is found in various fruits and vegetables. It is reported to have neurotropic, anti-inflammatory, anti-carcinogenic and also other health benefits. Fisetin has been proved to have neuroprotective effect against Parkinson’s disease (PD).  Elucidation of the molecular interaction of fisetin with various anti-parkinsonian drug targets leads to better understanding mode of action of the drug. The present study is aimed to study the molecular interaction of fisetin with molecular targets having potential role in PD. The molecular properties and drug likeness model score were first analysed for flavonoid fisetin, which was found to be 0.76. The structures of the molecular drug targets, such as MAO A (2BXR), MAO B (2BYB), COMT (2AVD) and tyrosine hydroxylase (2XSN), was extracted from RCSB-Protein Data Bank. Molecular docking was performed using AUTO DOCK-4.2. The docking scores were evaluated by analyzing the minimum binding energy for the first five runs for all the target proteins. The minimum binding energy for MAO A (2BXR), MAO B (2BYB), COMT (2AVD), tyrosine hydroxylase (2XSN) were -10.22 kcal/mol, -9.68 kcal/mol, -7.45 kcal/mol and -6.67 kcal/mol respectively. Out of the 4 potential PD drug targets, MAO A and MAO, genes responsible for oxidative deamination of dopamine, are predicted to have the least minimum binding energy and best interaction with fisetin. Keywords: Fisetin, docking, multidrug targets, autodock, MAO A, MAO B, COMT, Tyrosine hydroxylas

Sonochemical synthesis of CuO nanostructures and their morphology dependent optical and visible light driven photocatalytic properties

A controlled synthesis of CuO nanostructures with various morphologies were successfully achieved by presence/absence of low frequency (42 kHz) ultrasound with two different methods. The size, shape and morphology of the CuO nanostructures were tailored by altering the ultrasound, mode of addition and solvent medium. The crystalline structure and molecular vibrational modes of the prepared nanostructures were analysed through X-ray diffraction and FTIR measurement, respectively which confirmed that the nanostructures were phase pure high-quality CuO with monoclinic crystal structure. The morphological evaluation and elemental composition analysis were done using TEM and EDS attached with SEM, respectively. Furthermore, we demonstrated that the prepared CuO nanostructures could be served as an effective photocatalyst towards the degradation of methyl orange (MO) under visible light irradiation. Among the various nanostructures, the spherical shape CuO nanostructures were found to have the better catalytic activities towards MO dye degradation. The catalytic degradation performance of MO in the presence of CuO nanostructures showed the following order: spherical\nanorod \layered oval \nanoleaf \triangular \shuttles structures. The influence of loading and reusability of catalyst revealed that the efficiency of visible light assisted degradation of MO was effectively enhanced and more than 95 % of degradation was achieved after 3 cycle