The genetic algorithm, based on the Multi-Niche Crowding (MNC) method, coupled with the semi-empirical AM1 method is used to analyze the potential energy surface of some polypeptides containing cysteine. Calculating the formation energies of these systems in both neutral and deprotonated states, we deducted their enthalpy of deprotonation (ΔHacid) and we identified the types of rearrangement of these systems when isolated. Deprotonation occurs at the level of the alone acid site characterizing t...

Theoretical Chemistry 

The synthesis of YFe2O4 (YFO) is challenging because of high oxygen stoichiometry, it is a possible origin to realize the series of different phases at low temperature, balance of competing interaction between ions (Fe2+ and Fe3+) gives multiphase. The ionic radius of octahedral Fe-O which include, octahedral Fe-O inter atomic distances determined are for from the one expected for Fe2+ and Fe3+ octahedral ions and weak magnetic behavior and the transition temperature (250 K) also needs some impr...

Inorganic Chemistry 

Mathematical model was developed to monitor and predict the influence of restrictor or the characteristics of the functional parameters of the transfer function for pneumatic control system. The force acting from bellow is directly proportional to the effective cross-sectional area of the base which yielded extension of the bellow in both horizontal and vertical as well as its extension rate is dependent on the influence of the restrictor. The pneumatic controller represents the main force contr...

Environmental Chemistry  Theoretical Chemistry  Environmental Sciences  Environmental Sciences 

The sensitivity of capillary electrophoretic separation of rutin, chlorogenic acid and quercetin was enhanced by combination use of large volume sample stacking with polarity switching (LVSSPS) and acid barrage stacking (ABS). Separating conditions, including the background electrolyte pH and concentration, sample injection and acid barrage were optimized. The optimum conditions were: a background electrolyte of 30 mM Na2B2O7 of pH 9.25, hydrodynamic injection of the sample (60s, 5 psi), then ap...

Organic Chemistry  Biochemistry  Analytical Chemistry 

Novel acyclic and cyclic merocyanine dyes derived from the nucleu of furo [(3,2-d) pyrazole; ( )imidazole]were prepared. The electronic visible absorption spectra of all the synthesized new cyanine dyes were examined in 95% ethanol solution to evaluate their photosensitization properties. Antibacterial and antifungal activities for some selected dyes were tested against various bacterial and fungal strains (Escherichia coli, Staphylococcus aureus, Aspergillus flavus and Candida albicans) to eval...

Organic Chemistry 

Traditionally, carbon dioxide (CO2) injection has been considered an inefficient method for enhancing oil recovery from naturally fractured reservoirs. Obviously, it would be useful to experimentally investigate the efficiency of waterflooding naturally fractured reservoirs followed by carbon dioxide (CO2) injection. This issue was investigated by performing water imbibition followed by CO2 gravity drainage experiments on artificially fractured cores at reservoir conditions. The experiments were...

Environmental Chemistry  Theoretical Chemistry  Environmental Sciences  Environmental Sciences 

A comparative study on the biosorption of Pb(II), Cd(II) and Zn(II) using Lemon grass (Cymbopogon citratus) was investigated under various physicochemical parameters. Optimisation studies were carried out using batch biosorption studies. The biosorption of each of the metal ions was found to be pH-dependent. Kinetic study showed that each biosorption process followed the pseudo-second-order kinetic model. The sorption of each metal ion was analysed with Freundlich, Langmuir, Temkin and Dubinin-R...

Environmental Chemistry  Biological Materials  Analytical Chemistry  Environmental Sciences  Environmental Sciences 

The effect of density, pressure drop, viscosity and orifice area on the characteristics of fluid flow was examined in this paper. Also studied was the effect on the control pressure change of the constant area variable pressure drop meter as a proportional derivative control. The mathematical model developed to monitor and predict the control of the system is given as P-Po = 7.8/t – 0.06 + Kc +Kd. The change in control pressure decreases with increase in proportional/derivative gain (Kc, Kd) as ...

Environmental Chemistry  Theoretical Chemistry  Environmental Sciences  Environmental Sciences 

Using a methodology based on the crude adiabatic approximation, we study the complete linear and quadratic vibronic coupling in the ground state of SCH3 radical. In order to build the representation of the hamiltonian, we evaluated 30 integrals intervening in the formulation of the vibronic coupling. Diagonalization of this representation gives the vibronic levels. For the lowest vibronic states, the implied modes are Q1 (symmetric C-S stretching) and Q4 (CH3 rocking). Energy gaps A1-A2 and A2-ε...

Organic Chemistry  Theoretical Chemistry 

The oil seed production in the country presently meets only 60-70% of its total edible oil requirements and the rest is met through imports. India also has a potential of collecting 5 million tons of tree-borne oilseeds (TBO) of which only one million tons are being collected presently. The consumption of edible oil is very high in the country and still the indigenous production does not meet the demand and considerable amount of edible oil is imported and it is therefore, not advisable to diver...

Environmental Chemistry  Biological Materials  Green Chemistry  Biological Chemistry