Insights into time fractional dynamics in the Belousov-Zhabotinsky system through singular and non-singular kernels.

In the realm of nonlinear dynamics, the Belousov-Zhabotinsky reaction system has long held the fascination of researchers. The Belousov-Zhabotinsky system continues to be an active area of research, offering insights into the fundamental principles of nonlinear dynamics in complex systems. To deepen our understanding of this intricate system, we introduce a pioneering approach to tackle the time fractional Belousov-Zhabotinsky system, employing the Caputo and Atangana-Baleanu Caputo fractional derivatives with the double Laplace method. The solution we obtained is in the form of series which helps in investigating the accuracy of the proposed method. The primary advantage of the proposed technique lies in the low amount of calculations required and produce high degree of precision in the solutions. Furthermore, the existence and uniqueness of the solution are investigated thereby enhancing the overall credibility of our study. To visually represent our results, we present a series of 2D and 3D graphical representations that vividly illustrate the behavior of the model and the impact of changing the fractional order derivative and the time on the obtained solutions.

Synthesis and characterization of novel acrylamide derivatives and their use as corrosion inhibitors for carbon steel in hydrochloric acid solution.

Two new acrylamide derivatives were prepared namely: "N-(bis(2-hydroxyethyl) carbamothioyl) acrylamide (BHCA) and N-((2-hydroxyethyl) carbamothioyl) acrylamide( HCA) and their chemical structures were analyzed and confirmed using IR and 1H NMR". These chemicals were investigated as corrosion inhibitors for carbon steel (CS) in 1 M HCl medium using chemical method (mass  loss, ML), and electrochemical techniques including potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS). The results showed that the acrylamide derivatives work well as corrosion inhibitors, with inhibition efficacy (%IE) reaching 94.91-95.28% at 60 ppm for BHCA and HCA, respectively. Their inhibition depends mainly on their concentration and temperature of the solution. According to the PDP files, these derivatives function as mixed-type inhibitors that physically adsorb on the CS surface in accordance with the Langmuir adsorption isotherm, creating a thin coating that shields the CS surface from corrosive fluids. The charge transfer resistance (Rct) increased and the double layer capacitance (Cdl) decreased as a result of the adsorption of the used derivatives. Calculated and described were the thermodynamic parameters for activation and adsorption. Quantum chemistry computations and Monte Carlo simulations were examined and discussed for these derivatives under investigation. Surface analysis was checked using atomic force microscope (AFM). Validity of the obtained data was demonstrated by the confirmation of these several independent procedures.

Influence of the dissipation on the N-level atom interacting with a two two-level atoms in presence of qubit-qubit interaction.

The interacting of two qubits and an N-level atom based on su(2) Lie algebra in the presence of both qubit-qubit interaction and dissipation term is considered. The effects of the qubit-qubit interaction and the dissipation term on the dynamics of the proposed system are discussed in detail for certain values of the number of levels. The dynamical expressions of the observable operators are obtained using the Heisenberg equation of motion. The population inversion and linear entropy, as well as the concurrence formula as a measure of entanglement between the two qubits are calculated and discussed. The roles of the number of levels, the qubit-qubit coupling parameter and the dissipation rate on these quantities are also discussed. We explore the sudden birth and sudden death of the entanglement phenomena with and without the dissipation term.

Two-Qubit Local Fisher Information Correlation beyond Entanglement in a Nonlinear Generalized Cavity with an Intrinsic Decoherence.

In this paper, we study a Hamiltonian system constituted by two coupled two-level atoms (qubits) interacting with a nonlinear generalized cavity field. The nonclassical two-qubit correlation dynamics are investigated using Bures distance entanglement and local quantum Fisher information under the influences of intrinsic decoherence and qubit-qubit interaction. The effects of the superposition of two identical generalized coherent states and the initial coherent field intensity on the generated two-qubit correlations are investigated. Entanglement of sudden death and sudden birth of the Bures distance entanglement as well as the sudden changes in local Fisher information are observed. We show that the robustness, against decoherence, of the generated two-qubit correlations can be controlled by qubit-qubit coupling and the initial coherent cavity states.

Entanglement and entropy squeezing in the system of two qubits interacting with a two-mode field in the context of power low potentials.

We study the dynamics of two non-stationary qubits, allowing for dipole-dipole and Ising-like interplays between them, coupled to quantized fields in the framework of two-mode pair coherent states of power-low potentials. We focus on three particular cases of the coherent states through the exponent parameter taken infinite square, triangular and harmonic potential wells. We examine the possible effects of such features on the evolution of some quantities of current interest, such as population inversion, entanglement among subsystems and squeezing entropy. We show how these quantities can be affected by the qubit-qubit interaction and exponent parameter during the time evolution for both cases of stationary and non-stationary qubits. The obtained results suggest insights about the capability of quantum systems composed of nonstationary qubits to maintain resources in comparison with stationary qubits.

HATs off: selective synthetic inhibitors of the histone acetyltransferases p300 and PCAF.

Histone acetyltransferases (HATs) play important roles in the regulation of gene expression. In this report, we describe the design, synthesis, and application of peptide CoA conjugates as selective HAT inhibitors for the transcriptional coactivators p300 and PCAF. Two inhibitors (Lys-CoA for p300 and H3-CoA-20 for PCAF) were found to be potent (IC(50) approximately = 0.5 microM) and selective (approximately 200-fold) in blocking p300 and PCAF HAT activities. These inhibitors were used to probe enzymatic and transcriptional features of HAT function in several assay systems. These compounds should be broadly useful as biological tools for evaluating the roles of HATs in transcriptional studies and may serve as lead agents for the development of novel antineoplastic therapeutics.

Mechanism-based inhibition of the melatonin rhythm enzyme: pharmacologic exploitation of active site functional plasticity.

Serotonin N-acetyltransferase is the enzyme responsible for the diurnal rhythm of melatonin production in the pineal gland of animals and humans. Inhibitors of this enzyme active in cell culture have not been reported previously. The compound N-bromoacetyltryptamine was shown to be a potent inhibitor of this enzyme in vitro and in a pineal cell culture assay (IC(50) approximately 500 nM). The mechanism of inhibition is suggested to involve a serotonin N-acetyltransferase-catalyzed alkylation reaction between N-bromoacetyltryptamine and reduced CoA, resulting in the production of a tight-binding bisubstrate analog inhibitor. This alkyltransferase activity is apparently catalyzed at a functionally distinct site compared with the acetyltransferase activity active site on serotonin N-acetyltransferase. Such active site plasticity is suggested to result from a subtle conformational alteration in the protein. This plasticity allows for an unusual form of mechanism-based inhibition with multiple turnovers, resulting in "molecular fratricide." N-bromoacetyltryptamine should serve as a useful tool for dissecting the role of melatonin in circadian rhythm as well as a potential lead compound for therapeutic use in mood and sleep disorders.

Synthesis and dopamine receptor modulating activity of substituted bicyclic thiazolidine lactam peptidomimetics of L-prolyl-L-leucyl-glycinamide.

6-Substituted bicyclic thiazolidine lactam peptidomimetics of Pro-Leu-Gly-NH(2) (1) were synthesized to test the hypothesis that incorporation of a hydrophobic side chain into the bicyclic thiazolidine lactam scaffold would further enhance the dopamine receptor modulating activity of such peptidomimetics. The substituents employed were the isobutyl, butyl, and benzyl groups to give peptidomimetics 3-5, respectively. These peptidomimetics were evaluated in vivo as modulators of apomorphine-induced rotational behavior in the 6-hydroxydopamine-lesioned rat model of hemiparkinsonism and were compared with the unsubstituted bicyclic thiazolidine lactam Pro-Leu-Gly-NH(2) peptidomimetic 2. Peptidomimetics 3-5 each affected rotational behavior in a bell-shaped dose-response relationship producing maximal increases of 44% (1 microgram/kg,ip), 56% (0.1 microgram/kg,ip), and 30% (1 microgram/kg, ip), respectively. In comparison, unsubstituted peptidomimetic 2 increased rotational behavior by only 23% at a dose of 0.1 microgram/kg, ip.

Design, synthesis, and dopamine receptor modulating activity of spiro bicyclic peptidomimetics of L-prolyl-L-leucyl-glycinamide.

In the present study, the synthesis of the 5.5.6. and 5.6.5. spiro bicyclic lactam PLG peptidomimetics, compounds 3 and 4, respectively, was undertaken. These peptidomimetics were designed to examine the following: (1) the effect that changing the size of the thiazolidine and lactam ring systems would have on the ability of these systems to mimic the type-II beta-turn and (2) the effect that these structural perturbations would have on the ability of the peptidomimetics to modulate dopamine receptors. Through the use of the [3H]spiroperidol/N-propylnorapomorphine (NPA) dopamine D2 receptor competitive binding assay, 3 and 4, at a concentration of 100 nM, decreased the dissociation constant of the high-affinity state of the dopamine receptor for the agonist. These effects were observed when either Gpp(NH)p was absent or present and they were comparable to those produced by PLG at a concentration of 1 microM. Peptidomimetics 3 and 4 also increased the percentage of D2 receptors that existed in the high-affinity state. Even with Gpp(NH)p present, 3 and 4 were able to return the RH/RL ratios to values observed in the respective controls where Gpp(NH)p was absent. Furthermore, both peptidomimetics were able to attenuate the Gpp(NH)p-induced shift to the low-affinity state to a greater extent than PLG. Peptidomimetics 3 and 4 were evaluated in vivo as modulators of apomorphine-induced rotational behavior in the 6-hydroxydopamine-lesioned rat model of hemiparkinsonism, and each affected the rotational behavior in a bell-shaped dose-response relationship producing increases of 95 +/- 31% (0.01 mg/kg, ip) and 88 +/- 14% (0.001 mg/kg, ip), respectively. In comparison, the previously reported 5.5.5. spiro bicyclic lactam 2 increased rotational behavior by 25 +/- 11% (0.01 mg/kg, ip).

Indoleamine analogs as probes of the substrate selectivity and catalytic mechanism of serotonin N-acetyltransferase.

Serotonin N-acetyltransferase (arylalkylamine N-ace-tyltransferase (AANAT)) catalyzes the reaction of serotonin (or tryptamine) with acetyl-CoA to form N-acetylserotonin (or N-acetyltryptamine) and is responsible for the melatonin circadian rhythm in vertebrates. This study evaluates a series of indoleamine analogs as alternate substrates of AANAT. 3-Indolepropylamine and 3-indolebutylamine were chemically synthesized and found to be processed by AANAT, although 20- and 60-fold less efficiently compared with the natural substrate serotonin, respectively. Racemic alpha-methyltryptamine and Nomega-methyltryptamine were also shown to be substrates for AANAT, again with reduced kcat and kcat/Km compared with serotonin. The enzyme did exhibit approximately 9:1 stereoselectivity for the R-enantiomer of alpha-methyltryptamine versus the S-enantiomer. By measuring the enzymatic rates versus increasing buffer microviscosity, it was demonstrated that diffusional release of product is most likely the principal rate-determining step for the enzymatic transformation of tryptamine (which has similar kcat and kcat/Km compared with serotonin). Analysis of kcat and kcat/Km versus pH for the poor substrate Nomega-methyltryptamine showed that an ionizable group on the enzyme with pKa approximately 7, required to be in its deprotonated form, may be important in catalysis. The alpha-methyltryptamine analog alpha-trifluoromethyltryptamine was not processed by the enzyme, but served as a modest competitive inhibitor. Taken together with the pH-rate analysis, these results favor a model in which the serotonin substrate binds to the enzyme as the positively charged ammonium salt, and nucleophilicity of the amine is important in enzyme-catalyzed acetyl transfer.