A non-primitive boundary element technique for modeling flow through non-deformable porous medium using Brinkman equation

In this study, we develop a non-primitive boundary integral equation (BIE) method for steady two-dimensional flows of an incompressible Newtonian fluids through porous medium. We assume that the porous medium is isotropic and homogeneous, and use Brinkman equation to model the fluid flow. First, we present BIE method for 2D Brinkman equation in terms of the non-primitive variables namely, stream-function and vorticity variables. Subsequently, a test problem namely, the lid-driven porous cavity over a unit square domain is presented to assert the accuracy of our BEM code. Finally, we discuss an application of our proposed method to flows through porous wavy channel, which is a problem of significant interest in the micro-fluidics, biological domains and groundwater flows. We observe that the rate of convergence (\(R_{c}\)) increases with increasing Darcy number. For low Darcy number streamlines follow the curvature of the wavy-walled channel and no circulation occurs irrespective of the wave–amplitude, while for high Darcy number the flow circulation occurs near the crest of the wavy-walled channel, when the wave–amplitude is large enough.     

Higher-Order Nonclassical Properties of a Shifted Symmetric Cat State and a One-Dimensional Continuous Superposition of Coherent States

Role of quantum interference in the origin of higher-order nonclassical characteristics of radiation field has been probed vis-à-vis a discrete and a continuous superposition of coherent states. Specifically, the possibilities of observing higher-order nonclassical properties (e.g., higher-order antibunching (HOA), higher-order sub-Poissonian photon statistics (HOSPS), higher-order squeezing (HOS) of Hong-Mandel type and Hillery type) have been investigated using a shifted symmetric cat state that reduces to Yurke-Stoler, even and odd coherent states at various limits. This shifted symmetric cat state which can be viewed as a discrete superposition of coherent states is found to show HOA and HOSPS. Similarly, higher-order nonclassical properties of a one-dimensional continuous superposition of coherent states is also studied here. The investigation has revealed the existence of HOS and HOSPS in the one-dimensional continuous superposition of coherent states studied here. Effect of non-Gaussianity inducing operations (e.g., photon addition and addition followed by subtraction) on these superposition states have also been investigated. Finally, some comparisons have been made between the higher-order nonclassical properties of discrete and continuous superposition of coherent states.     

Numerical Modelling of Free-Surface Flow-Porous Media Interaction Using Divergence-Free Moving Particle Semi-Implicit Method

A divergence-free moving particle semi-implicit method is introduced for free-surface flow through porous media. Numerical incompressibility is conserved by solving additional pressure Poisson equation (PPE). Depending on current particle coordinates, a porosity-based factor is introduced to incorporate the effect of solid volume inside the porous domain. A hybrid formulation containing specified boundary condition and PPE is utilized on free-surface particles. The current framework is tested for four different problems. The first problem shows the effect of the proposed factor in vertical flow through a rectangular porous block and its representative volume change for different phases. Second and third problems validate the numerical model for dam break through a rectangular block of homogeneous porous media. In the fourth problem, flow through a trapezoidal porous block consisting of different porous media with variable effective porosity and permeability is simulated.     

Origin of contractile force during cell division of bacteria

When a bacterium divides, its cell wall at the division site grows radially inward like the shutter of a camera and guillotines the cell into two halves. The wall is pulled upon from inside by a polymeric ring, which itself shrinks in radius. The ring is made of an intracellular protein FtsZ (filamenting temperature sensitive Z) and thus is called the Z ring. It is not understood how the Z ring generates the required contractile force. We propose a theoretical model and simulate it to show how the natural curvature of the FtsZ filaments and lateral attraction among them may facilitate force generation.     

Advances on asymmetric organocatalytic 1,4-conjugate addition reactions in aqueous and semi-aqueous media

Asymmetric Michael addition reactions or 1,4-conjugate addition reactions are considered to be the fundamental C–C bond-forming reaction for the construction of chiral β-nitro, β-carbonyl and several other important structural motifs in organic synthesis. After the development of many chiral metal complexes as catalysts, a tremendous growth in the design and applications of variety of new chiral organocatalysts for asymmetric 1,4-conjugate addition reactions has been witnessed over the last two decades. Initially, asymmetric organocatalysis has been performed in organic solvents, but gradually performing the same catalysis in aqueous and semi-aqueous media became a necessity due to environmental aspects as well as to achieve better reactivity and selectivity. The structural and functional diversity of the chiral organocatalysts derived from natural and synthetic sources utilized differently the water either as the sole solvent, co-solvent or additive for optimising their best performances. In the present review, we discuss a detailed and comprehensive report on the advancement in the field of asymmetric organocatalytic 1,4-conjugate addition reactions in aqueous and semi-aqueous media.     

Some recent advances in the theory of homogeneous isotropic turbulence

We review some advances in the theory of homogeneous, isotropic turbulence. Our emphasis is on the new insights that have been gained from recent numerical studies of the three-dimensional Navier Stokes equation and simpler shell models for turbulence. In particular, we examine the status of multiscaling corrections to Kolmogorov scaling, extended self similarity, generalized extended self similarity, and non-Gaussian probability distributions for velocity differences and related quantities. We recount our recent proposal of a wave-vector-space version of generalized extended self similarity and show how it allows us to explore an intriguing and apparently universal crossover from inertial- to dissipation-range asymptotics.     

Size-selective Pt siderophores based on redox active azo-aromatic ligands

We demonstrate a strategy inspired by natural siderophores for the dissolution of platinum nanoparticles that could enable their size-selective synthesis, toxicological assessment, and the recycling of this precious metal. From the fabrication of electronics to biomedical diagnosis and therapy, PtNPs find increasing use. Mitigating concerns over potential human toxicity and the need to recover precious metal from industrial debris motivates the study of bio-friendly reagents to replace traditional harsh etchants. Herein, we report a family of redox-active siderophore-viz. π-acceptor azo aromatic ligands (L) that spontaneously ionize and chelate Pt atoms selectively from nanoparticles of size ≤6 nm. The reaction produces a monometallic diradical complex, Pt^II(L˙⁻)₂, isolated as a pure crystalline compound. Density functional theory provides fundamental insights on the size dependent PtNP chemical reactivity. The reported findings reveal a generalized platform for designing π-acceptor ligands to adjust the size threshold for dissolution of Pt or other noble metals NPs. Our approach may, for example, be used for the generation of Pt-based therapeutics or for reclamation of Pt nano debris formed in catalytic converters or electronic fabrication industries.

Biofriendly recycling of Pt is enabled by ligands that size-selectively dissolve nanoclusters.     

Cooperative Photoredox and N-Heterocyclic Carbene Catalyzed Fluoroaroylation for the Synthesis of α-Trifluoromethyl-Substituted Ketones

α-Trifluoromethylated ketones have attracted significant attention as valuable building blocks in organic synthesis. Such compounds are generally accessed through trifluoromethylation of ketones. Here we report an alternative disconnection approach for the construction of α-CF₃ carbonyl compounds by using aroyl fluorides as bifunctional reagents for fluoroaroylation of gem-difluoroalkenes through cooperative photoredox and N-heterocyclic carbene (NHC) catalysis. This strategy bypasses the use of expensive or sensitive trifluoromethylation reagents and/or the requirement for ketone pre-functionalization, thus enabling an efficient and general synthetic method to access α-CF₃-substituted ketones. A wide variety of gem-difluoroalkenes and aroyl fluorides bearing a diverse set of functional groups are eligible substrates. Notably, the developed methodology also provides rapid access to mono- or difluoroalkyl ketones. Mechanistic studies reveal that merging photoredox catalysis with NHC catalysis is essential for the reaction.     

TGA–FTIR study of a lead zirconate titanate gel made from a triol-based sol–gel system

A Pb(Zr,Ti)O₃ precursor gel made from a sol prepared using 1,1,1,-tris(hydroxymethyl)ethane, lead acetate and zirconium and titanium propoxides, stabilised with acetylacetone, was analysed using TGA–FTIR analysis. Decomposition under nitrogen (N₂) gave rise to evolved gas absorbance peaks at 215 °C, 279 °C, 300 °C and 386 °C, but organic vapours continued to be evolved, along with CO₂ and CO until 950 °C. The final TGA step in N₂ is thought to relate to decomposition of an intermediate carbonate phase and the final elimination of residues of triol or acetylacetonate species which form part of the polymeric gel structure. By contrast, heating in air promoted oxidative pyrolysis of the final organic groups at ≤450 °C. In air, an intermediate carbonate phase was decomposed by heating at 550 °C, allowing Pb(Zr,Ti)O₃ to be produced some 400 °C below the equivalent N₂ decomposition temperature.