Anti-corrosive property of bioinspired environmental benign imidazole and isoxazoline heterocyclics: A cumulative studies of experimental and DFT methods

In the present study, four imidazoline (IDZ) and four isoxazolines (ISO) heterocyclics differing in the nature of methoxy (-OCH₃) and aromatic (phenyl and naphthyl) moieties are synthesized, characterized and evaluated as corrosion inhibitors for mild steel in acidic solution of 1 M HCl. Results showed that imidazoline based heterocyclic compounds are better corrosion inhibitors than isoxazoline based heterocyclics and both classes of compounds showed inhibition efficiency of more than 85% at 20 mgL⁻¹ concentration. Results further showed that inhibitors containing methoxy, phenyl, and naphthyl moieties showed higher protection efficiency as compared to the inhibitors without these moieties. PDP Study revealed that investigated IDZs and ISOs acted as mixed type inhibitors and their adsorption on the metallic surface followed the Langmuir adsorption isotherm model. All the experimental results were corroborated by density function theory (DFT) based quantum chemical calculations. Numerous DFT based indices calculated for neutral as well as protonated forms of the IDZs and ISOs in order to get better insight about metal-IDZs/ISOs interactions. Outcomes of the DFT analysis showed that protonated (cationic) form of the all the inhibitors are more strongly adsorbed on the metallic surface as compared to their neutral form.     

Influence of crystallite shape on particle size broadening of Debye-Scherrer reflections

Formulae for the Scherrer constant K _β , the variance Scherrer constant K _ω and the taper parameter L _ω for crystals having the external shapes of a triangular prism, a square prism, a hexagonal prism and a cylinder have been obtained in terms of the reflection indices and proportionality factors,viz., the ratio of the height of the crystal to the square root of its basal area and the ratio of the two lattice constants of the unit cell. The numerical values of K _β , K _ω and L _ω have also been computed for direct application in particular cases.     

Investigation of EDTA anticoagulant in plasma to improve the throughput of liquid chromatography/tandem mass spectrometric assays

In this study, EDTA and heparin are compared as anticoagulants with respect to their efficiency in preventing clot formation in plasma samples that were subsequently analyzed by liquid chromatography/tandem mass spectrometry (LC/MS/MS). A pilot in vivo pharmacokinetic study for the drug chlorpheniramine was conducted in which both EDTA and heparin plasma samples were collected simultaneously. All conditions except the anticoagulant were held constant during the pharmacokinetic study. Bioanalytical results were compared from samples transferred by manual pipette and by an automated liquid handler workstation. The concentration of chlorpheniramine in samples was determined by LC/MS/MS. Results from the analysis of variances (ANOVA) of log-transformed plasma chlorpheniramine concentrations were used to calculate 90% confidence intervals for the ratio least-squares mean values for anticoagulants and for transfer methods. Analytical concentrations of the drug chlorpheniramine were equivalent in heparin- and EDTA-containing plasma. Results suggest that the failure rate for transfer of EDTA plasma (50 micro L by automated workstation or manually) is less than that for heparinized plasma. As a consequence of these results, the vast majority of plasma samples in our laboratories are now collected in EDTA, which allows for use of automated sample transfer resulting in a three-fold timesaving over manual transfer using a single-channel pipette. The ability to use automation has resulted in improved efficiency and cost savings.     

Investigations on the mechanism of carrier transport in plasma polymerized pyrrole thin films

Plasma polymerization is found to be an excellent technique for the preparation of good quality, pinhole-free, polymer thin films from different monomer precursors. The present work describes the preparation and characterization of polypyrrole (PPy) thin films by ac plasma polymerization technique in their pristine and in situ iodine doped forms. The electrical conductivity studies of the aluminium-polymer-aluminium (Al-polymer-Al) structures have been carried out and a space charge limited conduction (SCLC) mechanism is identified as the most probable mechanism of carrier transport in these polymer films. The electrical conductivity shows an enhanced value in the iodine doped sample. The reduction of optical band gap by iodine doping is correlated with the observed conductivity results.     

Nonlocal symmetries and recursion operators: Partial differential and differential-difference equations

A systematic method to derive the nonlocal symmetries for partial differential and differential-difference equations with two independent variables is presented and shown that the Korteweg-de Vries (KdV) and Burger's equations, Volterra and relativistic Toda (RT) lattice equations admit a sequence of nonlocal symmetries. An algorithm, exploiting the obtained nonlocal symmetries, is proposed to derive recursion operators involving nonlocal variables and illustrated it for the KdV and Burger's equations, Volterra and RT lattice equations and shown that the former three equations admit factorisable recursion operators while the RT lattice equation possesses (2×2) matrix factorisable recursion operator. The existence of nonlocal symmetries and the corresponding recursion operator of partial differential and differential-difference equations does not always determine their mathematical structures, for example, bi-Hamiltonian representation.