Hall effects on unsteady flow of a viscous fluid due to non-coaxial rotation of a porous disk and a fluid at infinity

An exact solution of the unsteady hydromagnetic flow due to non-coaxial rotations of a porous disk and a fluid at infinity is obtained on taking Hall currents into account. An analytical solution of the problem is obtained for small and large times after the start by the Laplace transform method. It is found that for small values of time there is no inertial oscillations while for large time the steady state is reached through inertial oscillations. The frequency of these oscillations first increases, reaches a maximum and then decreases with increase in Hall parameter.     

Chemically Tailoring the Dopant Emission in Manganese-Doped CsPbCl3 Perovskite Nanocrystals

Doping in perovskite nanocrystals adopts different mechanistic approach in comparison to widely established doping in chalcogenide quantum dots. The fast formation of perovskites makes the dopant insertions more competitive and challenging. Introducing alkylamine hydrochloride (RNH₃Cl) as a promoting reagent, precise controlled doping of Mn^II in CsPbCl₃ perovskite nanocrystals is reported. Simply, by changing the amount of RNH₃Cl, the Mn incorporation and subsequent tuning in the excitonic as well as Mn d–d emission intensities are tailored. Investigations suggested that RNH₃Cl acted as the chlorinating source, controlled the size, and also helps in increasing the number of particles. This provided more opportunity for Mn ions to take part in reaction and occupied the appropriate lattice positions. Carrying out several reactions with varying reaction parameters, the doping conditions are optimized and the role of the promoting reagent for both doped and undoped systems are compared.     

Discovery of Benzyl Tetraphosphonate Derivative as Inhibitor of Human Factor Xia

The inhibition of factor XIa (FXIa) is a trending paradigm for the development of new generations of anticoagulants without a substantial risk of bleeding. In this report, we present the discovery of a benzyl tetra-phosphonate derivative as a potent and selective inhibitor of human FXIa. Biochemical screening of four phosphonate/phosphate derivatives has led to the identification of the molecule that inhibited human FXIa with an IC₅₀ value of ∼7.4 μM and a submaximal efficacy of ∼68 %. The inhibitor was at least 14-fold more selective to FXIa over thrombin, factor IXa, factor Xa, and factor XIIIa. It also inhibited FXIa-mediated activation of factor IX and prolonged the activated partial thromboplastin time of human plasma. In Michaelis-Menten kinetics experiment, inhibitor 1 reduced the V_MAX of FXIa hydrolysis of a chromogenic substrate without significantly affecting its K_M suggesting an allosteric mechanism of inhibition. The inhibitor also disrupted the formation of FXIa – antithrombin complex and inhibited thrombin-mediated and factor XIIa-mediated formation of FXIa from its zymogen factor XI. Inhibitor 1 has been proposed to bind to or near the heparin/polyphosphate-binding site in the catalytic domain of FXIa. Overall, inhibitor 1 is the first benzyl tetraphosphonate small molecule that allosterically inhibits human FXIa, blocks its physiological function, and prevents its zymogen activation by other clotting factors under in vitro conditions. Thus, we put forward benzyl tetra-phosphonate 1 as a novel lead inhibitor of human FXIa to guide future efforts in the development of allosteric anticoagulants.     

Inventory policy for an item with inflation induced purchasing price,selling price and demand with immediate part payment

In this paper, an inventory policy for an item is presented with inflation and selling price dependent demand under deterministic and random planning horizons allowing and not allowing shortages. In addition, there is a provision for (i) an immediate part payment (variable) to the wholesaler, (ii) borrowing some money from money lending source for the immediate part payment, (iii) earning a discount on purchasing price and relaxation on credit period from the wholesaler against the advance payment and (iv) delay in payment for the rest allowed by wholesaler. The payment to the source is made at the end of the business period with some interest charged. Against the above conjectures, inventory models under the finite (crisp) and random planning horizons have been formulated with respect to the retailer’s point of view for maximum profit. The nonlinear optimization method – Generalized Reduced Gradient (GRG) method is used to find the optimal solutions and the corresponding maximum profits for the different sets of given numerical data. Some sensitivity analyses are made and presented graphically. As particular cases, the results of the crisp models and the case without shortages are obtained from those of the stochastic model and the case with shortages respectively.     

On the chemistry of indian orchidaceae plants—II: Dengibsin and dengibsinin,the first natural fluorenone derivatives from dendrobium gibsonii lindl

Dendrobium gibsonii, an Orchidaceae plant yielded the first natural fluorenone derivatives designated dengibsin and dengibsinin to which 1,5-dihydroxy-7-methoxy-9-fluorenone (1) and 1,6-dihydroxy-5, 7-dimethoxy-9-fluorenonc (2) structures have been assigned respectively. The structures are fully supported by the ¹H-NMR, IR, UV and MS spectral data of dengibsin and dengibsnin and a number of their pertinent derivatives. Aurantiamide acetate, dimethyl terephthalate and β-sitosterol have been isolated as the other constituents.     

Coordination Dynamics of Zinc Triggers the Rate Determining Proton Transfer in Human Carbonic Anhydrase II

We present, for the first time, how transient changes in the coordination number of zinc ion affects the rate determining step in the enzyme human carbonic anhydrase (HCA) II. The latter involves an intramolecular proton transfer between a zinc-bound water and a distant histidine residue (His-64). In the absence of time-resolved experiments, results from classical and QM-MM molecular dynamics and transition path sampling simulations are presented. The catalytic zinc ion is found to be present in two possible coordination states; viz. a stable tetra-coordinated state, T and a less stable penta-coordinated state, P with tetrahedral and trigonal bipyramidal coordination geometries, respectively. A fast dynamical inter-conversion occurs between T and P due to reorganization of active site water molecules making the zinc ion more positively charged in state P. When initiated from different coordination environments, the most probable mechanism of proton transfer is found to be deprotonation of the equatorial water molecule from state P and transfer of the excess proton via a short path formed by hydrogen bonded network of active site water molecules. We estimate the rate constant of proton transfer as from P and from T. A quantitative match of estimated k_P with the experimental value, ( ) suggests that dynamics of Zn coordination triggers the rate determining proton transfer step in HCA II.     

A highly selective ratiometric fluorescent probe for H2S based on new heterocyclic ring formation and detection in live cells

A 3-indolylacrylate derivative, 3-IA, prepared by connecting an ethyl acrylate in 3-position of indole has been synthesised and characterised. Ethyl acrylate moiety acts as the Michael acceptor towards H₂S, and the resultant addition product then participates in intramolecular cyclisation with the ester group at 2-position to form another new heterocyclic ring. Blue fluorescence of 3-IA turned into green in presence of H₂S, leading to ratiometric behaviour of the fluorescent sensor with large stokes shift of 55 nm. Probe 3-IA has excellent selectivity towards H₂S over other biothiols and other competing anions. Density function theory/time-dependent density function theory calculations were carried out to validate the reaction mechanism and the electronic properties of 3-IA. Importantly, the ratiometric probe 3-IA shows great promise in H₂S detection by simple visual fluorescent inspection in filter paper-based protocol. The probe shows its excellent ability to detect H₂S in different natural water samples. Furthermore, we have employed our probe to detect H₂S for ratiometric imaging in live Vero cell.     

Hall effects on hydromagnetic flow on an oscillating porous plate

In this paper, an analysis is made on the unsteady flow of an incompressible electrically conducting viscous fluid bounded by an infinite porous flat plate. The plate executes harmonic oscillations at a frequency n in its own plane. A uniform magnetic field Ho is imposed perpendicular to the direction of the flow. It is found that the solution also exists for blowing at the plate. The temperature distribution is also obtained by taking viscous and Joule dissipation into account. The mean wall temperature θo（O） decreases with the increase in the Hall parameter m. It is found that no temperature distribution exists for the blowing at the plate.     

Dynamic Effects in Nucleation of Receptor Clusters

Nucleation theory has been widely applied for the interpretation of critical phenomena in nonequilibrium systems. Ligand-induced receptor clustering is a critical step of cellular activation. Receptor clusters on the cell surface are treated from the nucleation theory point of view. The authors propose that the redistribution of energy over the degrees of freedom is crucial for forming each new bond in the growing cluster. The expression for a kinetic barrier for new bond formation in a cluster was obtained. The shape of critical receptor clusters seems to be very important for the clustering on the cell surface. The von Neumann entropy of the graph of bonds is used to determine the influence of the cluster shape on the kinetic barrier. Numerical studies were carried out to assess the dependence of the barrier on the size of the cluster. The asymptotic expression, reflecting the conditions necessary for the formation of receptor clusters, was obtained. Several dynamic effects were found. A slight increase of the ligand mass has been shown to significantly accelerate the nucleation of receptor clusters. The possible meaning of the obtained results for medical applications is discussed.     

Hydromagnetic flow between two porous disks rotating about non-coincident axes

Hydromagnetic flow between two porous disks rotating with same angular velocity Ω about two noncoincident axes has been studied in the presence of a uniform transverse magnetic field. An exact solution of the governing equations has been obtained in a closed form. It is found that the primary velocity f/Ωl increases and the secondary velocity g/Ωl decreases with increase in either Reynolds number Re or the Hartman number M. It is also found that the torque at the disk η= 0 increases with increase in either M^2 or K^2. On the other hand there is no torque at the disk η= 1 for large M^2 and K^2. The heat transfer characteristic has also been studied on taking viscous and Joule dissipation into account. It is seen that the temperature increases with increase in either M^2 or K^2. It is found that the rate of heat transfer at the disk η= 0 increases with increase in either M or K. On the other hand the rate of heat transfer at the disk η= 1 increases with increase in K but decreases with increase in M.