A new multi-objective genetic algorithm applied to hot-rolling process

A new genetic algorithms based multi-objective optimization algorithm (NMGA) has been developed during study. It works on a neighborhood concept in the functional space, utilizes the ideas on weak dominance and ranking and uses its own procedures for population sizing. The algorithm was successfully tested with some standard test functions, and when applied to a real-life data of the hot-rolling campaign of an integrated steel plant, it outperformed another recently developed multi-objective evolutionary algorithm.     

Cascade synthesis of selective dihydro pyridazino fused acridinone derivatives via MCM-41 catalyzed ring-opening/ring-closure reaction

An enhanced one-pot synthesis of new functionalized 5,6-dihydro-5,5-dimethyl-2-phenyl-2H-pyridazino[3,4,5-kl]acridin-1(4H)-one derivatives with different substituted patterns by using mesoporous MCM-41 catalyst via a ring opening/ring closure reaction process has been established. This MCM-41 silica catalyst has been synthesized and characterized using an array of sophisticated analytical techniques like BET, XRD, UHRTEM, etc. This reaction could be conducted from inexpensive substrates within short period under neat reflux conditions. Compared with the usual methods, the remarkable advantages of this method are milder reaction conditions, operational simplicity, higher yields, short reaction times and an environmentally friendly procedure.     

Extraction of uranium(VI) by tri iso-amyl phosphate (TiAP) in ionic liquids

Batch extraction of uranium(VI) from uranyl nitrate solutions using TiAP in ionic liquids ([BMIM]PF₆ and [HMIM]PF₆) is studied. Effects of acidity, TiAP concentration in ionic liquid and temperature on distribution coefficient are studied. Results show that distribution coefficient increases with an increase in acidity and reduces with an increase in the alkyl chain length of the cation of the ionic liquid. Extraction of uranium(VI) by TiAP-[HMIM]PF₆ system is found to involve two molecules of the extractant per metal ion and extraction is found to change from being exothermic to endothermic as the percentage of the extractant is increased.     

Kinetics of Surfactant-induced Aggregation of Lysozyme Studied by Fluorescence Spectroscopy

The study of protein conformational changes in the presence of surfactants and lipids is important in the context of protein folding and misfolding. In the present study, we have investigated the mechanism of the protein conformational change coupled with aggregation leading to size growth of Hen Egg White Lysozyme (HEWL) in the presence of an anionic detergent such as sodium dodecyl sulphate (SDS) in alkaline pH. We have utilized intrinsic protein fluorescence (tryptophan) and extrinsic fluorescent reporters such as 8-anilinonaphthalene-1-sulfonic acid (ANS), dansyl and fluorescein to follow the protein conformational change in real-time. By analyzing the kinetics of fluorescence intensity and anisotropy of multiple fluorescent reporters, we have been able to delineate the mechanism of surfactant-induced aggregation of lysozyme. The kinetic parameters reveal that aggregation proceeds with an initial fast-phase (conformational change) followed by a slow-phase (self-assembly). Our results indicate that SDS, below critical micelle concentration, induces conformational expansion that triggers the aggregation process at a micromolar protein concentration range.     

Spin-density wave near the vortex cores in the high-temperature superconductor Bi2Sr2CaCu2O8+y

Competition with magnetism is at the heart of high-temperature superconductivity, most intensely felt near a vortex core. To investigate vortex magnetism we have developed a spatially resolved probe based upon NMR spin-lattice-relaxation spectroscopy. With this approach we have found a spin-density wave associated with the vortex core in Bi(2)Sr(2)CaCu(2)O(8+y), similar to checkerboard patterns in the local density of electronic states reported from scanning tunneling microscope experiments. We have determined both the spin-modulation amplitude and decay length from the vortex core in fields up to H=30 T.     

Experimental studies of the jamming behaviour of triblock copolymer solutions and triblock copolymer-anionic surfactant mixtures

Photon correlation spectroscopy and rheological measurements are performed to investigate the microscopic dynamics and mechanical responses of aqueous solutions of triblock copolymers and aqueous mixtures of triblock copolymers and anionic surfactants. Increasing the concentration of triblock copolymers results in a sharp increase in the magnitude of the complex moduli characterising the samples. This is understood in terms of the changes in the aggregation and packing behaviours of the copolymers and the constraints imposed upon their dynamics due to increased close packing. The addition of suitable quantities of an anionic surfactant to a strongly elastic copolymer solution results in a decrease in the complex moduli of the samples by several decades. It is argued that the shape anisotropy and size polydispersity of the micelles comprising mixtures cause dramatic changes in the packing behaviour, resulting in sample unjamming and the observed decrease in complex moduli. Finally, a phase diagram is constructed in the temperature-surfactant concentration plane to summarise the jamming-unjamming behaviour of aggregates constituting triblock copolymer-anionic surfactant mixtures.     

Diabatization of the reactive F + H<Subscript>2</Subscript> system employing rigorous Berry phases

In this article are presented the first ever derived single-valued diabatic potentials for the reactive H₂ +  F system based on a rigorous study of the conical intersection (ci) and Born-Oppenheimer non-adiabatic coupling terms (BO NACTs). This study revealed the existence of a Jahn-Teller (1, 2) ci located at a point on the collinear axis and a Renner-Teller (2, 3) ci along this axis. The diabatic potentials were calculated employing the rigorous adiabatic-to-diabatic transformation (ADT) angles (also known as mixing angles) which possess integer Berry phases along any closed contour at the region of interest in configuration space. The ADT angles were calculated employing BO NACTs and line integrals.     

Diffusion of water in molecular magnet Cu(0.75)Mn(0.75)[Fe(CN)6]·7H2O

Here we report the dynamical behaviour of water in Prussian blue analogue (PBA) Cu(0.75)Mn(0.75)[Fe(CN)(6)]·7H(2)O molecular magnet in the temperature range 260-360 K as studied using the quasielastic neutron scattering technique. While significant quasielastic broadening is observed in the hydrated sample, no broadening was observed in the dehydrated one. Data analysis showed that the observed quasielastic broadening in Cu(0.75)Mn(0.75)[Fe(CN)(6)]·7H(2)O corresponds to the dynamics of the non-coordinated water molecules at the 32f site and the coordinated water molecules at the 24e site, existing in the cavities created by the absence of Fe(CN)(6) units. The non-coordinated water molecules at 8c interstitial sites do not contribute to the broadening, suggesting that they are immobile at least within the time window of the spectrometer used. Behaviour of the elastic incoherent structure factor is consistent with the model where the water molecules undergo translational diffusion localized within the cavity of 5.1 ?. While all the non-coordinated water molecules at the 32f site are dynamic over the entire range of temperatures, the coordinated ones at the 24e site become progressively dynamic with temperature. The water molecules were found to undergo hindered (~1.16 × 10(-5) cm(2) s(-1) at 300 K) diffusion compared to bulk water and the diffusivity followed Arrhenius behaviour within the measured temperature range with an activation energy of 1.26 kcal mol(-1).     

On a Coordinate-Independent Description of String Worldsheet Theory

We rewrite the bosonic worldsheet theory in curved background in a language where it describes a single particle moving in an infinite-dimensional curved spacetime. This language is developed at a formal level without regularizing the infinite-dimensional traces. Then, we adopt DeWitt’s (Phys Rev 85:653, 1952) coordinate-independent formulation of quantum mechanics in the present context. This procedure enables us to define coordinate invariant quantum analogue of classical Virasoro generators, which we call DeWitt–Virasoro generators. This framework also enables us to calculate the invariant matrix elements of an arbitrary operator constructed out of the DeWitt–Virasoro generators between two arbitrary scalar states. Using these tools, we further calculate the DeWitt–Virasoro algebra in spin-zero representation. The result is given by the Witt algebra with additional anomalous terms that vanish for Ricci-flat backgrounds. Further analysis need to be performed to precisely relate this with the beta function computation of Friedan and others. Finally, we explain how this analysis improves the understanding of showing conformal invariance for certain pp-wave that has been recently discussed using hamiltonian framework.