Dynamic process scheduling and resource allocation in distributed environment: an agent-based modelling and simulation

This paper addresses the issues concerning resource allocation and process scheduling in a dynamic environment, where resources are distributed and availability of them is uncertain. In this context, we introduce a new multi-agent-based resource allocation and process scheduling approach, where agents communicate and cooperate among themselves to produce an optimal schedule. A distributed constraint optimization problem-based model in accordance with Markov Decision Process is proposed in this regard. We overcome the hardship of existing centralized approach and our technique optimizes not only the process completion delay but also the number of resources being idle, which is much more beneficial. Apart from the theoretical approach, we take a case study in its practical application domain to validate our claim. Analysis and experimental results show that this proposed method outperforms the state-of-the-art methods and bridges the gap between theory and its applications.     

Amine elimination synthesis of a titanium(IV) N-heterocyclic carbene complex with short intramolecular Cl...C carbene contacts

The reaction of 1,3-dimesitylimidazolium chloride with Ti(NMe(2))(4) results in the 1,3-dimesitylimadazol-2-ylidene complex of Ti(NMe(2))(2)Cl(2)(3); the X-ray crystal structure of 3 evidences short intramolecular Cl...C(carbene) contacts.     

High selective colorimetric detection of Cd<Superscript>2+</Superscript> ions using cysteamine functionalized gold nanoparticles with cross-linked DL-glyceraldehyde

This paper reports an ingenious colorimetric sensor probe for the detection of Cd²⁺ ions using cysteamine functionalized gold nanoparticles cross-linked with DL-glyceraldehyde (DL-G-CA-Au NPs). Rapid aggregation in DL-G-CA-Au NPs was observed by adding Cd²⁺ ions at PBS buffer pH 7.0, which results in an immediate color change of the solution from red to blue. A red-shift in the wavelength of absorption peak was measured from 520 to 736 nm using UV–visible spectroscopy. The surface functionalization and aggregation of Au NPs were also characterized by recoding FI-IR and DSL data. The colorimetric probe was analyzed in the concentration of Cd²⁺ ions ranging from 0.05 to 500 μM, and a good linearity was observed towards the lower concentration levels with a coefficient of correlation R ² = 0.9862. The limit of detection was found to be 21 nM, which best describes its superior performance over other reported colorimetric probes. Furthermore, the performance of the probe was not influenced by other metal ions, and the stability of DL-G-CA-Au NPs was maintained even after 30 days. The proposed method was successfully applied to various water samples collected from the environment, and an accuracy ≥ 98% was achieved.     

Topological chaos and periodic braiding of almost-cyclic sets

In certain (2+1)-dimensional dynamical systems, the braiding of periodic orbits provides a framework for analyzing chaos in the system through application of the Thurston-Nielsen classification theorem. Periodic orbits generated by the dynamics can behave as physical obstructions that "stir" the surrounding domain and serve as the basis for this topological analysis. We provide evidence that, even in the absence of periodic orbits, almost-cyclic regions identified using a transfer operator approach can reveal an underlying structure that enables topological analysis of chaos in the domain.     

One-pot Zn/CuI/TFA-catalyzed domino three-component-carbocyclization reaction involving biphenyl-2-carbaldehydes/alkynes/piperidine: allenes-mediated construction of phenanthrenes

A one-pot protocol involving Zn/CuI/TFA-catalyzed domino three-component and subsequent carbocyclization reactions is described. The reaction proceeds via formation of propargyl amines from biphenyl-2-carbaldehydes/terminal alkynes/piperidine followed by the elimination of piperidine and ring closure to furnish phenanthrene derivatives in good yields. The strategy involves C(sp)-H activation-CH functionalization with imine-alkyne activation-1,5 hydride shift-β-elimination of piperidine-allene formation-6π cycloaddition-isomerization domino sequence. Evidence for the involvement of allenes as an intermediate during carbocyclization is discussed.     

Spectroscopy vs. Electrochemistry: Catalyst Layer Thickness Effects on Operando/In Situ Measurements

In recent years, operando/in situ X-ray absorption spectroscopy (XAS) has become an important tool in the electrocatalysis community. However, the high catalyst loadings often required to acquire XA-spectra with a satisfactory signal-to-noise ratio frequently imply the use of thick catalyst layers (CLs) with large ion- and mass-transport limitations. To shed light on the impact of this variable on the spectro-electrochemical results, in this study we investigate Pd-hydride formation in carbon-supported Pd-nanoparticles (Pd/C) and an unsupported Pd-aerogel with similar Pd surface areas but drastically different morphologies and electrode packing densities. Our in situ XAS and rotating disk electrode (RDE) measurements with different loadings unveil that the CL-thickness largely determines the hydride formation trends inferred from spectro-electrochemical experiments, therewith calling for the minimization of the CL-thickness in such experiments and the use of complementary thin-film control measurements.     

Raman spectroscopy in experimental oral carcinogenesis: investigation of abnormal changes in control tissues

Oral cancer is a major cause of mortality in South Asian men owing to rampant tobacco abuse. Cancers are also reported in non‐tobacco habitués, especially women, attributed to chronic irritations from irregular/sharp teeth, improper fillings, and poorly fit dentures. Conventional screening approaches are shown to be effective for high‐risk groups (tobacco/alcohol habitués). Raman spectroscopy (RS) is being extensively explored as an alternate/adjunct tool for diagnosis and management of oral cancers. In a previous Raman study on sequential oral carcinogenesis using hamster buccal pouch model, misclassifications between spectra from control and carcinogen [7,12‐dimethylbenz(a)anthracene (DMBA)]‐treated tissues were observed. Histopathology of some control tissues suggested pathological changes, attributable to repeated forceps‐induced irritations/trauma during animal handling. To explore these changes, in the present study, we recorded spectra from three different types of controls – vehicle control (n = 45), vehicle contralateral (n = 45), and DMBA contralateral (n = 70) – exposed to varying degree of forceps handling, along with DMBA‐treated pouches (n = 70) using a 14‐week carcinogenesis protocol. Spectra certified on the basis of histopathology and abnormal cell proliferation (cyclin D1 expression) were used to build models that were evaluated by independent test spectra from an exclusive set of DMBA‐treated and control animals. Many DMBA‐contralateral, vehicle‐control, and vehicle‐contralateral spectra were identified as higher pathologies, which subsequently corroborated with histopathology/cyclin D1 expression. Repeated forceps‐mediated injuries/irritations, during painting and animal handling, may elicit inflammatory responses, leading to neoplasm. The findings of the study suggest that RS could identify micro‐changes. Further, RS‐based in vivo imaging can serve as a promising label‐free tool for screening even in the non‐habitué population where conventional screening is shown to be not effective. Copyright © 2016 John Wiley & Sons, Ltd.