In Silico Inhibitability of Copper Carbenes and Silylenes against Rhizoctonia solani and Magnaporthe oryzae

Copper lighter tetrylenes are promising for inhibition towards Rhizoctonia solani-based protein PDB-4G9M and Magnaporthe oryzae-based PDB-6JBR in rice. Quantum properties of four hypothetic copper complexes of carbenes and silylenes (Cu-NHC1, Cu-NHC2, Cu-NHSi1, and Cu-NHSi2) were examined using the density functional theory. Their inhibitability towards the targeted proteins was evaluated using molecular docking simulation. Quantum analysis predicts the stability of the investigated complexes and thus their practical existability and practicable synthesisability. Their electronic configurations are justified as highly conducive to intermolecular interaction. Regarding ligand-protein as carbenes/silylenes-4G9M inhibitory structures, the stability is estimated in the order [Cu-NHC2]-4G9M (DS −12.9 kcal⋅mol−1) > [Cu-NHSi1]-4G9M (DS −11.8 kcal⋅mol−1) = [Cu-NHSi2]-4G9M (DS −11.7 kcal⋅mol−1) > [Cu-NHC1]-4G9M (DS –11.4 kcal⋅mol−1). In contrast, the corresponding order for the carbenes/silylenes-6JBR systems is [Cu-NHSi2]-6JBR (DS –13.4 kcal⋅mol−1) > [Cu-NHC2]-6JBR (DS −13.0 kcal⋅mol−1) = [Cu-NHSi1]-6JBR (DS −12.6 kcal⋅mol−1) > [Cu-NHC1]-6JBR (DS −12.3 kcal⋅mol−1). In theory, this study suggests a potentiality of copper lighter tetrylenes and their derivatives against the infection of fungi Rhizoctonia solani and Magnaporthe oryzae, thus encouraging attempts for experimental developments.

Classical and Quantum f(R) Cosmology: The Big Rip, the Little Rip and the Little Sibling of the Big Rip

The big rip, the little rip and the little sibling of the big rip are cosmological doomsdays predicted by some phantom dark-energy models that could describe the future evolution of our universe. When the universe evolves towards either of these future cosmic events, all bounded structures and, ultimately, space–time itself are ripped apart. Nevertheless, it is commonly believed that quantum gravity effects may smooth or even avoid these classically predicted singularities. In this review, we discuss the classical and quantum occurrence of these riplike events in the scheme of metric f(R) theories of gravity. The quantum analysis is performed in the framework of f(R) quantum geometrodynamics. In this context, we analyze the fulfilment of the DeWitt criterion for the avoidance of these singular fates. This review contains as well new unpublished work (the analysis of the equation of state for the phantom fluid and a new quantum treatment of the big rip and the little sibling of the big rip events).

Heisenberg Operator Approach: Nano-Mechanical Oscillator (Part 2) and the Quantum LC Circuit

With the knowledge of the new design rules in Chapter 7, we use this new insight to find the eigenvectors for the nano-vibrator problem, and then we use the same approach to examine the quantum LC circuit. While the usual approach is to use Kirchhoff’s laws to analyze a simple circuit classically, we first see that Hamilton’s equations can in fact be used, giving the same classical result. But then, using the new design rules and the knowledge of the total energy in the circuit, we identify a canonical coordinate and a conjugate momentum that have nothing to do with real space and motion of a particle of mass m. At the same time, consistent with the Schrödinger picture, we continue to see that the time evolution of an observable such as position, x(t), or current, i(t), is not part of the solution. Given that Hamilton’s equations give the same result as Kirchhoff’s law but the quantum solution does not, reinforces the idea that the quantum description is showing features that cannot be imagined with a viewpoint based on classical (i.e. non-quantum) analysis.

Quantum analysis of sub harmonic generation with two-mode coherent light

In this work the statistical and squeezing properties of light-driven by sub-harmonic generation with two-mode coherent light are studied. With interaction Hamiltonian of both two-mode coherent and sub harmonic generation, we have driven master equation of system under consideration. From the master equation, the solution of the C-number Langevin equation is derived. It helps us to solve quadrature variance, quadrature squeezing, mean, and variance of photon number for light produced by sub-harmonic generation with the two-mode coherent light state. And the result shows that; the squeezing occurs in plus quadrature with the maximum squeezing of 87%. The photon statistics of the system under consideration is subpoissonian in which both mean & variance are increasing as kappa increase.