Suppressor capacity of iron nanoparticles biosynthesized using Salvia chloroleuca leaf aqueous extract on methadone-induced cell death in PC12: Formulation a new drug from relationship between the nanobiotechnology and neurology sciences

Metallic nanoparticles have gained significant attention in the area of biomedical technology. Because of its high surface area, metallic nanoparticles are being widely used in various fields including the medical and engineering sciences. One of the valuable applications of metallic nanoparticles especially copper, zinc, and iron nanoparticles is increasing the physiological function of central nervous system. Besides, Iranian people are using the Salvia chloroleuca for neuroprotective properties. In the present research, iron nanoparticles were biosynthesized by S. chloroleuca leaf aqueous extract as reducing and stabilizing agents. Also, we revealed the protective effect of FeNPs in methadone-treated PC12 cells. FeNPs were characterized and analyzed using common nanotechnology techniques including FT-IR, UV–Vis. spectroscopy; EDS, TEM, and FE-SEM. TEM and FE-SEM images revealed a uniform spherical morphology for FeNPs. In the biological part of the current study, the both treatments of FeNPs significantly (p ≤ 0.01) reduced the cell cytotoxicity and cell death index as well as increased the cell viability and cell proliferation in methadone-treated PC12 cells. In these treatments, mitochondrial membrane potential significantly (p ≤ 0.01) increased compared to methadone-induced PC12 cells. DPPH free radical scavenging test was did to evaluate the antioxidant potentials of FeCl₃, S. chloroleuca, and FeNPs. DPPH test indicated similar antioxidant activities for S. chloroleuca, FeNPs, and butylated hydroxytoluene. In current experiment, we concluded that iron nanoparticles biosynthesized by S. chloroleuca leaf aqueous extract suppressed methadone-induced cell death in a dose-dependent manner in PC12 cells.     

Shock tube investigation of methyl tert butyl ether and methyl tetrahydrofuran high-temperature kinetics

The autoignition and pyrolysis of two C5 ethers, methyl tert butyl ether (MTBE) and 2-methyltetrahydrofuran (2-MTHF), are investigated using the shock tube reactor. The experiments are carried out at pressures of 3.5 and 12 atm at temperatures above 1000 K with argon as a diluent gas. By means of direct laser absorption, carbon monoxide time histories and associated chemical kinetic timescales are also determined. It is observed that the competition between ignition and pyrolysis times depends on the temperature and equivalence ratio of the ignition mixture, such that there is a temperature above which pyrolysis predominates oxidative kinetics. This crossover temperature shifts toward higher temperatures for reactive systems with a fixed fuel concentration but higher oxygen content. The resulting experimental observations are also compared with predictions of existing chemical kinetic models from the literature. The results point to differences in chemical reactivity, such that in pyrolysis conditions, the reactivity of the cyclic ether, 2-MTHF, is generally higher than that of the aliphatic ether, MTBE. While agreement between experimental observations and model predictions is observed under certain conditions, significant variance between observations and predictions is observed under other conditions. With respect to prediction of the pyrolysis time used to capture the global kinetics of pyrolysis, it is observed that the relation of this time to the time needed to attain 90% of the equilibrium CO concentration varies greatly with the result that the models used in this work generally predict a faster initial formation of CO but a much slower approach to the equilibrium concentration. This is thought to arise from the slow transformation of intermediate CH₂O and CH₂CO to CO. The chemical kinetic models considered in this work are therefore not capable of predicting the CO time histories during pyrolysis.     

The reversible measures for symmetric nearest-particle systems

Symmetric nearest-particle systems are certain spin systems on {0, 1}^z in which the flip rate is a function of the distances to the nearest particle of different type to the left and right. The process differs from the ordinary nearest-particle system in that the rates are preserved if zeros and ones are interchanged. The only reversible measure for the symmetric nearest-particle system is a renewaltype measure (the natural analog to the nonsymmetric case). Also as in the nonsymmetric case, reversibility only occurs when the rates are of a specific form. By imposing additional conditions on the rates it can be shown that the reversible measure is the only translation-invariant, invariant measure which concentrates on configurations having infinitely many zeros and ones to either side of the origin. This can be used to prove that for a large class of translation-invariant initial distributions, weak limits are reversible measures. Then we can conclude that the process is convergent for several examples of initial distributions.     

Theoretical Study of the Interactions between Isolated DNA Bases and Various Groups IA and IIA Metal Ions by Ab Initio Calculations

Interactions of the DNA bases adenine (A), guanine (G), cytosine (C), and thymine (T) with various metal ions (M) of groups IA and IIA of the periodic table of the elements were studied at the HF, MP2, and DFT levels of theory. The structures and thermodynamic stabilities of these species were studied at the gas phase. The calculations uphold that there exist two active sites in G and one in A, C, and T. The calculations also show that the O² atom in T is a more active site for metal ion bindings than that in C. The stability energies for G … M complexes are larger than those for A … M complexes and the stability energies for T … M complexes are larger than those for C … M complexes. As z/r ratio for the metal ion increases, the interaction energy for the complex increases systematically. Thermodynamic quantities such as ΔH, ΔG, ΔS, and ln K were determined for each complexation reaction, [Base+M ⁿ⁺ →(Base … M) ⁿ⁺]. A, G, and C complexation reactions except for C … Rb⁺ are exothermic. The situation is quite different for T complexation reactions and all except for T … Be²⁺ and T … Mg²⁺ are endothermic.     

A self-dual variational approach to stochastic partial differential equations

Unlike many of their deterministic counterparts, stochastic partial differential equations are not amenable to the methods of calculus of variations à la Euler–Lagrange. In this paper, we show how self-dual variational calculus leads to variational solutions of various stochastic partial differential equations driven by monotone vector fields. We construct solutions as minima of suitable non-negative and self-dual energy functionals on Itô spaces of stochastic processes. We show how a stochastic version of Bolza's duality leads to solutions for equations with additive noise. We then use a Hamiltonian formulation to construct solutions for non-linear equations with non-additive noise such as the stochastic Navier–Stokes equations in dimension two.     

Automated Technique for Identifying Experimental Vibrational–Rotational Molecular Spectra Based on Variational Calculations

We describe a technique for automated identification of experimental vibrational–rotational molecular spectra, which is based on variational calculations. The proposed technique is used to analyze the experimental spectra of triatomic molecules H₂O and HDO. This technique significantly accelerates processing and analysis of experimental data and drastically improves accuracy and quality of the results obtained. The possibility of applying this technique for analyzing spectra of other polyatomic molecules is discussed.     

Water vapour line assignments in the 9250-26 000 cm frequency range

Line parameters for water vapour in natural abundance have recently been determined for the 9250-13 000 cm⁻¹ region [M.-F. Mérienne, A. Jenouvrier, C. Hermans, A.C. Vandaele, M. Carleer, C. Clerbaux, P.-F. Coheur, R. Colin, S. Fally, M. Bach, J. Quant. Spectrosc. Radiat. Transfer 82 (2003) 99] and the 13 000-26 000 cm⁻¹ region [P.-F. Coheur, S. Fally, M. Carleer, C. Clerbaux, R. Colin, A. Jenouvrier, M.-F. Mérienne, C. Hermans, A.C. Vandaele, J. Quant. Spectrosc. Radiat. Transfer 74 (2002) 493] using a high-resolution Fourier-transform spectrometer with a long-path absorption cell. These spectra are analysed using several techniques including variational line lists and assignments made. In total, over 15 000 lines were assigned to transitions involving more than 150 exited vibrational states of H₂¹⁶O. Twelve new vibrational band origins are determined and estimates for a further 16 are presented.     

Characterization of the Intermediate in and Identification of the Repair Mechanism of (6‐4) Photolesions by Photolyases

Quantum mechanics/molecular mechanics calculations are employed to assign previously recorded experimental spectroscopic signatures of the intermediates occurring during the photo‐induced repair of (6‐4) photolesions by photolyases to specific molecular structures. Based on this close comparison of experiment and theory it is demonstrated that the acting repair mechanism involves proton transfer from the protonated His365 to the N3′ nitrogen of the lesion, which proceeds simultaneously with intramolecular OH transfer along an oxetane‐like transition state.