Conformational energy map for a pair of peptide units using the bond polarisability method

A method recently developed for the calculation of intramolecular nonbonded interactions based on experimental bond polarisabilities and atomic charges and transition π-charges obtained from MO calculations has been applied to the alanyl dipeptide. The potential energy contours in the ?, ψ plane obtained by this method compare favourably with those derived from the frequency of occurrence of conformations in globular proteins. An analysis of the various components of the nonbonded interaction energy indicates that the fairly frequent occurrence of conformations around ? = ?80°, ψ=0° is presumably due to a favourable interaction of the π-polarisation.     

Electrode kinetics of Eu3+/Eu2+ reaction by cyclic voltammetry

The cyclic voltammetric behaviour of Eu³⁺/Eu²⁺ couple at hanging mercury drop electrode (HMDE) has been studied in chloride, bromide, iodide, thiocyanate and EDTA supporting electrolytes. The apparent rate constant and transfer coefficient for these systems have been calculated at various voltage scan rates, without using the data for standard or formal potential. The values have been compared with those obtained by earlier workers through other electrochemical methods.     

Review on influencing parameters in the performance of concentrated solar power collector based on materials,heat transfer fluids and design

Journal of Thermal Analysis and Calorimetry - The solar collector (reflector and receiver) is the primary device being used in the concentrating solar power technologies for tapping the solar...     

Crystallization and thermal characterization of calcium hydrogen phosphate dihydrate crystals

Calcium hydrogen phosphate dihydrate (CHPD) is found quite frequently in urinary calculi (stones). The CHPD crystals were grown by the single diffusion gel growth technique in sodium metasilicate gel. The crystals were found to be having platelet and broad needle type morphologies. The crystals were analyzed by FTIR spectroscopy. The thermal properties were studied by employing the thermogravimetric analysis (TG). Various kinetic and thermodynamic parameters for dehydration were estimated from the TG curve. The selected platelet was studied by scanning electron microscope (SEM) for the growth morphologies indicating that the crystals grew in the form of leaflets having prominent (010) faces. This was in agreement with earlier reported studies.     

Interactions and corrosion mitigation prospective of pyrazole derivative on mild steel in HCl environment

The effectiveness of 1H?pyrazole?3,5?dicarboxylic acid 5?benzyl ester 3?phenyl ester (PCBPE) as a preventer for deterioration of IS 513 Gr. D steel in 1 M HCl medium is evaluated via weight loss, electrochemical impedance, and polarization techniques. Kinetic and thermodynamic parameters assessed the feasibility of the adsorption process at diverse temperatures. The inhibition action on mild steel has been enhanced with increasing PCBPE concentration. It is found from the polarization studies that PCBPE behaves as mixed type inhibitor in HCl medium. The adsorption process of PCBPE on mild steel surface from acid environment is favoured Langmuir adsorption isotherm. The shielding efficiency of PCBPE has been enhanced at elevated concentrations, and it has been diminished at amplified temperatures. The Atomic Force Microscope (AFM), Scanning Electron Microscope (SEM), and Energy Dispersive Spectrum (EDS) were used to establish a surface characterization of metal specimens. A quantum chemical analysis of electron density distributions in the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) demonstrated how the inhibitor undergoes adsorption on mild steel in 1 M HCl. All experimental findings substantiate the corrosion mitigation performance of PCBPE on mild steel in acidic environments.     

Shape and eccentricity effects in adhesive contacts of rodlike particles

The effects of shape and eccentricity on adhesion and detachment behavior of long, rodlike particles in contact with a half-space are analyzed using contact mechanics. The particles are considered to have cross sections that are squarish, oblate, or prolate rather than circular. Such cross sections are represented very generally by using superellipses. The contact mechanics model allows deduction of closed-form expressions for the contact pressure, load-contact size relation, detachment load, and detachment contact size. It is found that even relatively small deviations in shape from a cylinder have a significant influence on the detachment load. Eccentricity also affects the adhesive behavior, but to a lesser extent, with oblate shapes requiring larger separation loads than prolate shapes. The load-contact size solution reduces to that for a right-circular, cylindrical rod when the appropriate limit is taken. The detachment behavior of right-circular cylinders is also found to be mimicked by an entire family of rod shapes with different cross sections.