Interaction between photons, “trapped electron” and vibronic excitation

The role of “trapped electron,” photon, and vibronic state coupling has been worked out in relation to an aspect of cancer, namely, to the activity of an anticancer drug. The main emphasis for such study comes from the fact that in cancerous systems the participation of usual electronic states of the molecule may not be sufficient. Because of disorder in the cancer tumour, additional states, viz. trapped electron states, could be formed in the manner of localised states in solids. The drug activity of mitomycin C obtained in this way agrees with the experimental values. An additional feature of the study is that it shows that it will be effective mainly in the initial phases of cancer.     

Order-disorder transition in Nd2−yGdyZr2O7 pyrochlore solid solution: An X-ray diffraction and Raman spectroscopic study

Powder X-ray diffraction (XRD) and Raman spectroscopic study of order-disorder-phase transition with increase in the content of Gd in Nd_2−yGd_yZr₂O₇ solid solution is being reported. It has been observed from Rietveld analysis that with increase in concentration of Gd in Nd_2−yGd_yZr₂O₇, the value of the x parameter of the 48f oxygen changes from 0.332(1) to 0.343(1) with a sudden change in the slope for y=1.8, which indicates that the structure is transforming from ordered pyrochlore to disordered pyrochlore. In addition to that a sudden and drastic change in the Raman spectra including changes in the position and width of several Raman modes beyond y?1.8 has also been observed which has been correlated with increasing disorder. Based on these studies, it is suggested that there is a discontinuous order-disorder transition from ‘perfect pyrochlore’ to ‘defect pyrochlore’ phase in Nd_2−yGd_yZr₂O₇ solid solution.     

Template synthesis, spectroscopic studies and biological screening of macrocyclic complexes derived from thiocarbohydrazide and benzil

A novel series of complexes of the type [M(TML)X₂]; where TML is a tetradentate macrocyclic ligand; M = Co(II), Ni(II), Cu(II) or Zn(II); X = Cl⁻, CH₃COO⁻ or NO ₃ ⁻ have been synthesized by template condensation of benzil and thiocarbohydrazide in the presence of divalent metal salts in methanolic medium. The complexes have been characterized with the help of elemental analyses, conductance measurements, molecular weight determination, magnetic measurements, electronic, NMR, infrared and far infrared spectral studies. Electronic spectra along with magnetic moments suggest the six coordinate octahedral geometry for these complexes. The low value of molar conductance indicates them to be non-electrolytes. The biological activities of metal complexes have been tested in vitro against a number of pathogenic bacteria to assess their inhibiting potential.     

Study of phase transition and volume thermal expansion in a rare-earth (RE) oxyfluoride system by high-temperature XRD (RE=La, Nd, Sm, Eu and Gd)

Volume thermal expansion behaviour of a number of rare-earth oxyfluorides (REOF) have been studied using high-temperature X-Ray diffractometry (HT-XRD) in the 298–1075 K range in air. The studies revealed an anomalous expansion for each compound associated with phase transition. The phase transition temperature and the coefficient of volume thermal expansion of five compounds in REOF series determined by this method are reported and compared with our earlier results obtained by dilatometry.     

A Spectrophotometric Study of Fe(III) Chelates of Some Hydroxy Coumarin Derivatives

Chelates formation of Fe(III) with 7–hydroxy–4–methyl coumarin–6–carboxylic acid (HMCCH)₂ and 8–amino–7–hydroxy–4–methyl coumarin (AHMCH) have been studied. It has been observed that Fe(III) forms 1:2 (metal:ligand) chelates with HMCCH₂ and AHMCH. The stability constants of these chelates at different ionic strengths and the effect of temperature on the stability constants of these chelates have been studied. The thermodynamic parameters such as entropy change (ΔS), free energy of formation (ΔG) and enthalpy change (ΔH) have also been calculated. The effect of dielectric constant oh the stability constants of these chelates have been studied. Estimation of nanogram quantities of Fe(III) with these ligands and the effect of diverse ions have also been studied and the results have been compared with other methods used for estimation of Fe(III).     

Electrochemical studies of novel olivine-layered (LiFePO4-Li2MnO3) dual composite as an alternative cathode material for lithium-ion batteries

Journal of Solid State Electrochemistry - In the present work, olivine-layered composites, i.e., LiFePO4-Li2MnO3, are successfully synthesized in the form of a single monolithic electrode and layer...     

Transition Metal Complexes of Dis(thiosemicarbazone): Synthesis and Spectral,and Antifungal Studies

Mn(II), Co(II), Ni(II), and Cu(II) complexes have been synthesized with benzil bis(thiosemicarbazone) (L) and characterized by elemental analyses, molar conductance measurements, magnetic susceptibility measurements, thermogravimetric studies, infrared (IR), electronic, and electron paramagnetic resonance (eEPR) spectral studies. The molar conductance measurements of the complexes in DMF correspond to the non-electrolytic nature of the complexes. Thus these complexes may be formulated as [M(L)X₂] (where M = Mn(II), Co(II), Ni(II), Cu(II) and X = Cl^? and NO₃ ^?). On the basis of IR, electronic, and EPR spectral studies, an octahedral geometry has been assigned for Mn(II), Co(II), and Ni(II) complexes, whereas a tetragonal geometry for the Cu(II) complexes is presumed. The free ligand and its metal complexes were tested against the phytopathogenic fungi (i.e., Rhizoctonia baticola, Alternaria alternata) in vitro.     

Kinetics and Mechanism of Acid-Catalyzed 2,5-Xylenol-Formaldehyde Reaction

This paper deals with kinetic studies of the 2,5-xylenol and formaldehyde reaction catalyzed by hydrochloric acid. The catalyst concentrations used were 0.008, 0.012, 0.02, and 0.04 N. The investigations were carried out at 65, 70, 75, and 80°C. It was observed that the reaction follows a second-order rate law. The rate of reaction was found to increase with an increase in acid concentration. The overall rate constant was resolved into stepwise rate constants. It is a two-step reaction, the second step of the reaction being a rapid follow-up of the first step. Activation parameters for the overall reaction have been calculated, and a mechanism conforming to the experimental observations is suggested.     

Experimental study and performance evaluation of various cook stove models based on energy and exergy analysis

This article presents the experimental study and comparative performance evaluation of four types of cook stoves using energy and exergy analysis. Analysis of four different types of cook stove models viz. Envirofit, Mangla, Harsha and Vikram were selected and the water boiling test has been carried out. The suitable biomass available from the local market was prepared in the proper size as described in the Bureau of Indian Standards (BIS) and has been used as the fuel for cook stove in this experimental study. The aluminium pots of proper capacity as per BIS standard have been used for different cook stoves. The data from the experiments was collected and evaluated for the energy and exergy efficiencies for different models. Based on the data analysis it is found that the exergy efficiency is much lower than that of the energy efficiency for all the four models. It is also found that the both the efficiencies of Envirofit model are found to be higher than those of other models studied here.