Molecular structure, harmonic and anharmonic frequency calculations of 2,4-dichloropyrimidine and 4,6-dichloropyrimidine by HF and density functional methods

Quantum chemical calculations of energies, geometrical structural parameters, harmonic and anharmonic frequencies of 2,4-DCP and 4,6-DCP were carried out by HF and density functional theory methods with 6-311++G(d,p) as basis set. The assignment of each normal mode has been made using the observed and calculated frequencies, their IR and Raman intensities. A detailed interpretation of the FT-IR and FT-Raman spectra of 2,4-DCP and 4,6-DCP was reported on the basis of the calculated potential energy distribution (PED). A comparison of theoretically calculated vibrational frequencies at B3LYP/6-311++G(d,p) with FT-IR and FT-Raman experimental data shows good agreement between them. Natural atomic charges of 2,4-DCP and 4,6-DCP were calculated and compared with pyrimidine molecule.     

Annular, cosh and cos Gaussian beams in strong turbulence

For the strong atmospheric turbulence regime, the asymptotic on-axis scintillation behavior of annular, cosh and cos Gaussian beams is theoretically derived and illustrated with numerical examples. It is observed from the plots that annular Gaussian beams exhibit more scintillations than a Gaussian beam, regardless of the amplitude coefficient and source size settings. For small source sizes, cosh Gaussian beams seem to have an advantage over Gaussian beams in terms of reduced scintillation, but for large source sizes a switchover occurs where cos Gaussian beams assume the advantage. Analysis of the effect of inner scale value shows that scintillations increases for all beams as the inner scale increases.     

On the exact distribution and mean value function of a geometric process with exponential interarrival times

The geometric process is considered when the distribution of the first interarrival time is assumed to be exponential. An analytical expression for the one dimensional probability distribution of this process is obtained as a solution to a system of recursive differential equations. A power series expansion is derived for the geometric renewal function by using an integral equation and evaluated in a computational perspective. Further, an extension is provided for the power series expansion of the geometric renewal function in the case of the Weibull distribution.     

Merton problem in a discrete market with frictions

We study the classical optimal investment and consumption problem of Merton in a discrete time model with frictions. Market friction causes the investor to lose wealth due to trading. This loss is modeled through a nonlinear penalty function of the portfolio adjustment. The classical transaction cost and the liquidity models are included in this abstract formulation. The investor maximizes her utility derived from consumption and the final portfolio position. The utility is modeled as the expected value of the discounted sum of the utilities from each step. At the final time, the stock positions are liquidated and a utility is obtained from the resulting cash value. The controls are the investment and the consumption decisions at each time. The utility function is maximized over all controls that keep the after liquidation value of the portfolio non-negative. A dynamic programming principle is proved and the value function is characterized as its unique solution with appropriate initial data. Optimal investment and consumption strategies are constructed as well.     

Radiation transfer in photobiological carbon dioxide fixation and fuel production by microalgae

Solar radiation is the energy source driving the metabolic activity of microorganisms able to photobiologically fixate carbon dioxide and convert solar energy into biofuels. Thus, careful radiation transfer analysis must be conducted in order to design and operate efficient photobioreactors. This review paper first introduces light harvesting mechanisms used by microorganisms as well as photosynthesis and photobiological fuel production. It then provides a thorough and critical review of both experimental and modeling efforts focusing on radiation transfer in microalgae suspension. Experimental methods to determine the radiation characteristics of microalgae are presented. Methods for solving the radiation transfer equation in photobioreactors with or without bubbles are also discussed. Sample measurements and numerical solutions are provided. Finally, novel strategies for achieving optimum light delivery and maximizing sunlight utilization in photobioreactors are discussed including genetic engineering of microorganisms with truncated chlorophyll antenna.     

The electronic structure,solvatochromism, and electric dipole moments of new Schiff base derivatives using absorbance and fluorescence spectra

Structural Chemistry - The electronic structure and electronic transitions of four new mono Schiff base derivatives are interpreted by using absorption and fluorescence spectra including 28...     

Effect of d-psicose substitution on gelatin based soft candies: A TD-NMR study

Confectionary gels are considered as composite gel systems composed of high amount of sugar and gelling agent such as gelatin or starch. d -Psicose is classified as a type of rare sugar, which is a C-3 epimer of fructose and has 70% of the sweetness of sucrose with a caloric value of 0.39 kcal/g. Utilization of d -psicose in food products is gaining particular interest due to its low caloric value. In this study, gelatin-based soft candies were formulated, and the effect of d -psicose substitution was explored on the quality of the products. For characterization of the soft candies, moisture content, water activity, color, hardness, and glass transition temperature of samples were investigated. X-ray diffraction analysis was also performed to explain the crystallization tendency of jelly candies. Results showed that, the softest sample with the highest moisture content and the smallest crystallization tendency was the sample that included the highest amount of d -psicose. Time domain (TD) NMR relaxometry experiments were also conducted on gel samples, and three distinct proton populations were observed in the relaxation spectrum for all formulations. Spin–lattice relaxation times obtained through monoexponential fitting (T₁) were also obtained to explain some quality parameters.     

Synthesis,characterization, antioxidant,and antibacterial activities of new 2,3-dimethoxy and 3-acetoxy-2-methyl benzamides

Research on Chemical Intermediates - We performed a series of novel benzamide compounds which were synthesized starting from 2,3-dimethoxybenzoic acid or 3-acetoxy-2-methylbenzoic acid and amine...     

Lacunary equi-statistical convergence of positive linear operators

In this paper, the concept of lacunary equi-statistical convergence is introduced and it is shown that lacunary equi-statistical convergence lies between lacunary statistical pointwise and lacunary statistical uniform convergence. Inclusion relations between equi-statistical and lacunary equi-statistical convergence are investigated and it is proved that, under some conditions, lacunary equi-statistical convergence and equi-statistical convergence are equivalent to each other. A Korovkin type approximation theorem via lacunary equi-statistical convergence is proved. Moreover it is shown that our Korovkin type approximation theorem is a non-trivial extension of some well-known Korovkin type approximation theorems. Finally the rates of lacunary equi-statistical convergence by the help of modulus of continuity of positive linear operators are studied.      

Radiation characteristics of Botryococcus braunii, Chlorococcum littorale, and Chlorella sp. used for fixation and biofuel production

This paper reports experimental measurements of the radiation characteristics of green algae used for carbon dioxide fixation via photosynthesis. The generated biomass can be used to produce not only biofuels but also feed for animal and food supplements for human consumptions. Particular attention was paid to three widely used species namely Botryococcus braunii, Chlorella sp., and Chlorococcum littorale. Their extinction and absorption coefficients were obtained from normal–normal and normal–hemispherical transmittance measurements over the spectral range from 400 to 800 nm. Moreover, a polar nephelometer was used to measure the scattering phase function of the microorganisms at 632.8 nm. It was observed that for all strains, scattering dominates over absorption. The magnitudes of the extinction and scattering cross-section are functions of the size, shape, and chlorophyll content of each strain in a non-trivial manner. Absorption peaks at 435, 475, and 676 nm corresponding to chlorophyll a and chlorophyll b. The results can be used for scaling and optimization of CO₂ fixation in ponds or photobioreactors as well as in the development of controlled ecological life support systems.