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1.
Ana-Maria Udrea Andra Dinache Jean-Marie Pags Ruxandra Angela Pirvulescu 《Molecules (Basel, Switzerland)》2021,26(8)
Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs. In silico approach investigates the pharmacodynamic and pharmacokinetic profile of BG1189 and BG1190 quinazolines. Molecular docking and predicted ADMET features suggest that BG1189 and BG1190 may represent attractive candidates as antimicrobial drugs. UV-Vis absorption spectroscopy was employed to study the time stability of quinazoline solutions in water or in dimethyl sulfoxide (DMSO), in constant environmental conditions, and to determine the influence of usual storage temperature, normal room lighting and laser radiation (photostability) on samples stability. The effects of irradiation on BG1189 and BG1190 molecules were also assessed through Fourier-transform infrared (FTIR) spectroscopy. FTIR spectra showed that laser radiation breaks some chemical bonds affecting the substituents and the quinazoline radical of the compounds. 相似文献
2.
We present a general scheme for entangling any degree of freedom of two uncorrelated identical particles from independent
sources by a combination of two-particle interferometry and which-way detection. We show that this entanglement generation
procedure works for completely random initial states of the variable to be entangled. We also demonstrate a curious complementarity
exhibited by our scheme and its applications in estimating the generated entanglement as a function of wave packet overlap
at the beamsplitter. 相似文献
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Several a priori tests of a systematic stochastic mode reduction procedure recently devised by the authors [Proc. Natl. Acad. Sci. 96 (1999) 14687; Commun. Pure Appl. Math. 54 (2001) 891] are developed here. In this procedure, reduced stochastic equations for a smaller collections of resolved variables are derived systematically for complex nonlinear systems with many degrees of freedom and a large collection of unresolved variables. While the above approach is mathematically rigorous in the limit when the ratio of correlation times between the resolved and the unresolved variables is arbitrary small, it is shown here on a systematic hierarchy of models that this ratio can be surprisingly big. Typically, the systematic reduced stochastic modeling yields quantitatively realistic dynamics for ratios as large as 1/2. The examples studied here vary from instructive stochastic triad models to prototype complex systems with many degrees of freedom utilizing the truncated Burgers–Hopf equations as a nonlinear heat bath. Systematic quantitative tests for the stochastic modeling procedure are developed here which involve the stationary distribution and the two-time correlations for the second and fourth moments including the resolved variables and the energy in the resolved variables. In an important illustrative example presented here, the nonlinear original system involves 102 degrees of freedom and the reduced stochastic model predicted by the theory for two resolved variables involves both nonlinear interaction and multiplicative noises. Even for large value of the correlation time ratio of the order of 1/2, the reduced stochastic model with two degrees of freedom captures the essentially nonlinear and non-Gaussian statistics of the original nonlinear systems with 102 modes extremely well. Furthermore, it is shown here that the standard regression fitting of the second-order correlations alone fails to reproduce the nonlinear stochastic dynamics in this example. 相似文献
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We propose a unified method for deducing recursive relations for the canonical partition function of a system of noninteracting particles with charge conservation if the particles follow the Bose–Einstein, Fermi–Dirac, or Maxwell–Boltzmann statistics or parastatistics. For all these types of statistics, we find recursive relations for the partition function of a new statistical model of nuclear multifragmentation with electric charge and baryon number conservation, accounting for the internal degrees of freedom of the nuclear fragments. 相似文献
8.
This paper proposes a new two-stage two-phase VPP charge pump configured in such a manner that the body effect and the threshold voltage loss are eliminated. The newly proposed circuit is fabricated using 0.18 μm triple-well CMOS process and the measurement result shows that the VPP level tracks 3VDD when VDD is above the threshold voltage. 相似文献
9.
The vibrational dynamics of protein folding is analyzed in the framework of Tsallis statistics. We employ exact expressions
for classical harmonic oscillators by considering the unnormalized constraints. As q→1, we show that these approximations agree with the result of Gaussian network model. 相似文献
10.
We obtain exponential upper bounds for tails of distributions of generalized L-statistics based on a sample from an exponential distribution. We prove the asymptotic normality of generalized L-statistics based on a sample from the uniform distribution on [0,1] and of L-statistics with decomposed kernels (without any restrictions on the sample distribution type). 相似文献