Naproxen derivatives: Synthesis,reactions, and biological applications

This review describes the synthesis and reactions of naproxen derivatives and highlights the effects of compounds containing the naproxen moiety in important biological applications.     

CFD modeling of convection heat transfer using 1.7 MHz and 24 kHz ultrasonic waves: a comparative study

The effects of 24 kHz and 1.7 MHz ultrasonic waves on heat transfer from a thin platinum wire are investigated. The results revealed that the 1.7 MHz ultrasound waves could increase the heat transfer rate more efficiently than the lower frequency one. The CFD modeling of ultrasonication was performed to compare heat transfer, predict fluid flow patterns. The CFD results were validated by the experimental results with an excellent agreement.     

Quantum computing methods for electronic states of the water molecule

ABSTRACT

We compare recently proposed methods to compute the electronic state energies of the water molecule on a quantum computer. The methods include the phase estimation algorithm based on Trotter decomposition, the phase estimation algorithm based on the direct implementation of the Hamiltonian, direct measurement based on the implementation of the Hamiltonian and a specific variational quantum eigensolver, Pairwise VQE. After deriving the Hamiltonian using STO-3G basis, we first explain how each method works and then compare the simulation results in terms of gate complexity and the number of measurements for the ground state of the water molecule with different O–H bond lengths. Moreover, we present the analytical analyses of the error and the gate-complexity for each method. While the required number of qubits for each method is almost the same, the number of gates and the error vary a lot. In conclusion, among methods based on the phase estimation algorithm, the second-order direct method provides the most efficient circuit implementations in terms of the gate complexity. Moreover, Pairwise VQE serves the most practical method for near-term applications on the current available quantum computers. Finally the possibility of extending the calculation to excited states and resonances is discussed.     

Proper Generalized Decomposition (PGD) for the numerical simulation of polycrystalline aggregates under cyclic loading

The numerical modelling of the behaviour of materials at the microstructural scale has been greatly developed over the last two decades. Unfortunately, conventional resolution methods cannot simulate polycrystalline aggregates beyond tens of loading cycles, and they do not remain quantitative due to the plasticity behaviour. This work presents the development of a numerical solver for the resolution of the Finite Element modelling of polycrystalline aggregates subjected to cyclic mechanical loading. The method is based on two concepts. The first one consists in maintaining a constant stiffness matrix. The second uses a time/space model reduction method. In order to analyse the applicability and the performance of the use of a space–time separated representation, the simulations are carried out on a three-dimensional polycrystalline aggregate under cyclic loading. Different numbers of elements per grain and two time increments per cycle are investigated. The results show a significant CPU time saving while maintaining good precision. Moreover, increasing the number of elements and the number of time increments per cycle, the model reduction method is faster than the standard solver.     

Improvement on the performance N-(3-methoxypropyl)acrylamide polymer-gel dosimeter by the addition of inorganic salt for application in radiotherapy dosimetry

Journal of Radioanalytical and Nuclear Chemistry - The effect of lithium chloride (LiCl) on the dose–response performance of the N-(3-methoxypropyl)acrylamide polymer-gel dosimeter (NMPAGAT)...     

Scalar conservation laws with general boundary condition and continuous flux function

We introduce a notion of entropy solution for a scalar conservation law on a bounded domain with nonhomogeneous boundary condition: ut+divΦ(u)=f on Q=(0,T)×Ω, u(0,⋅)=u₀ on Ω and “u=a on some part of the boundary (0,T)×∂Ω.” Existence and uniqueness of the entropy solution is established for any Φ∈C(R;RN), u₀∈L^∞(Ω), f∈L^∞(Q), a∈L^∞((0,T)×∂Ω). In the L¹-setting, a corresponding result is proved for the more general notion of renormalised entropy solution.