Combined effect of ultrasound and nanoclay on adsorption of phenol

Sorption of phenol onto organophilic bentonite (nanoclay) by ultrasonic irradiation was investigated. Tetrabutyl ammonium chloride (TBAC), N-acetyl-N,N,N trimethyl ammonium bromide (CTAB) and hexadecyl trimethyl ammonium chloride (HDTMA) were used as intercalating agents. Nanoclay was synthesized using sonication technique. TBAC modified nanoclay shows amorphous exfoliated nature, while CTAB and HDTMA modified nanoclay shows intercalating crystalline nature, which was revealed by XRD gram. Further FTIR reveals the presence of NH(2) and (CH(2))(n) groups onto clay platelet. Due to sonication, adsorption equilibrium was achieved within short period of time (10 min). It was found that intraparticle diffusion resistance has overcome due to sonication. The experimental data obtained obeys both Freundlich isotherm model and Langmuir adsorption isotherm model. HDTMA modified nanoclay shows higher parameter values.     

Phase transitions and magnetoelectric coupling in BiFe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Zn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>3</Subscript> multiferroics

Multiferroic BiFe_1?xZn _x O₃ ceramics were prepared by solution combustion method. Their structure, magnetoelectric, dielectric, magnetic, thermal characteristics were studied. The magnetic M(T) and heat capacity C _p (T) measurements demonstrate an antiferromagnetic to paramagnetic phase transition (T _N ) around 635 K. The anomaly on the temperature dependence of the dielectric constant near T _N was observed, which could be induced by the magnetoelectric coupling between electric and magnetic ordering. The magnetoelectric behavior was also confirmed by the linear relation between Δε and M², which is in the agreement of the Ginzburg-Landau theory for the second-order phase transition.     

Density functional study of hydrogen‐bonded acetonitrile–water complex

We report the interaction of acetonitrile with one, two, and three water molecules using the Density Functional Theory method and the 6‐31+G* basis set. Different conformers were studied and the most stable conformer of acetonitrile–(water)_n complex has total energies –209.1922504, –285.6224478, and –362.068728 hartrees with one, two, and three water molecules, respectively. The corresponding binding energy for these three structures is 4.52, 8.34, and 22.48 kcal/mol. The hydrogen‐bonding results in blue, blue, and redshift in C?N stretching mode in acetonitrile with one, two, and three water molecules, respectively, whereas there was a redshift in O? H symmetric stretching mode of water. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

Stability indicating RP-HPLC method for simultaneous determination of atorvastatin and amlodipine from their combination drug products

The study describes development and subsequent validation of a stability indicating reverse-phase HPLC method for the simultaneous estimation of atorvastatin (ATV), and amlodipine (AML) from their combination drug product. The proposed RP-HPLC method utilizes a Lichrospher 100 C18, 5 microm, 250 mm x 4.0 mm i.d. column, at ambient temperature, optimum mobile phase consisted of acetonitrile and 50 mM potassium dihydrogen phosphate buffer (60 : 40, v/v), apparent pH adjusted to 3+/-0.1 with 10% phosphoric acid solution, effluent flow rate monitored at 1.0 ml/min, and UV detection at 254 nm. ATV, AML, and their combination drug product were exposed to thermal, photolytic, hydrolytic, and oxidative stress conditions, and the stressed samples were analyzed by proposed method. The method was applied for the in vitro dissolution of marketed combination drug products. The described method was linear over the range of 1-90 microg/ml and 1-80 microg/ml for ATV and AML, respectively. The mean recoveries were 99.76 and 98.12% for ATV and AML, respectively. The intermediate precision data obtained under different experimental setup, the calculated value of coefficient of variation (CV, %) was found to be less than critical value. The limit of detection for ATV and AML were found to be 0.4 and 0.6 mug/ml, respectively and the limit of quantification was 1.0 microg/ml for both drugs. The average percentage drug release was found to be more than 70% within 30 min for both drugs. Chromatographic peak purity data of ATV and AML indicated no co-eluting peaks with the main peaks of drugs which demonstrated the specificity of assay method for their estimation in presence of degradation products. The proposed method can be useful in the quality control and in vitro dissolution of combination drug products.     

Effect of ionization on infrared and electronic absorption spectra of methyl and ethyl formate in the gas phase and in astrophysical H2O ice: a computational study

This work reports infrared and electronic absorption spectra of trans and gauche conformers of neutral ethyl formate, trans and cis conformers of neutral methyl formate, their ions in the gas phase, and neutral ethyl and methyl formate in astrophysical H(2)O ice. The second-order M?ller-Plesset perturbation (MP2) method with TZVP basis set has been used to obtain ground-state geometries. An influence of ice on vibrational frequencies of neutral ethyl and methyl formate was obtained using integral equation formalism polarizable continnum model (IEFPCM). Significant shift in vibrational frequencies for neutral methyl and ethyl formate when studied in H(2)O ice and upon ionization is observed. Rotational and distortion constants for neutral ethyl and methyl formate from this work are in excellent agreement with the available experimental values. Electronic absorption spectra of conformers of ethyl and methyl formate and their ions are obtained using time-dependent density functional method (TDDFT). The nature of electronic transitions is also identified. We suggested lines especially good to detect these molecules in interstellar medium. Using these lines, we can identify the conformers of ethyl and methyl formate in gas phase and H(2)O ice in interstellar medium. This comparative study should provide useful guidelines to detect conformers of ethyl and methyl formate and their ions in gas phase and neutral molecules in H(2)O ice in different astronomical environment.     

Quantum chromodynamics: Working group report

This is the report of the QCD working group at WHEPP-6. Discussions and work on heavy ion collisions, polarized scattering, and collider phenomenology are reported.     

Nitrogen substitution effect on hydrogen adsorption properties of Ti-decorated benzene

Structural Chemistry - Ab initio calculations are performed to study hydrogen storage properties of Ti-doped benzene and Ti-doped nitrogen-substituted benzene complexes. Two of the carbon atoms in...     

Probiotic Escherichia coli CFR 16 Producing Pyrroloquinoline Quinone (PQQ) Ameliorates 1,2-Dimethylhydrazine-Induced Oxidative Damage in Colon and Liver of Rats

Inflammation of the gastrointestinal tract is associated with reactive oxygen species (ROS) genesis. Alleviation of oxidative stress is achieved by using antioxidants and probiotics. Present study investigates a synergistic effect of the probiotic Escherichia coli CFR 16 containing Vitreoscilla haemoglobin gene (vgb), green fluorescent protein (gfp) gene and pyrroloquinoline quinone (pqq) gene cluster on oxidative stress induced by 1,2-dimethylhydrazine (DMH). Adult virgin Charles foster male rats (3–4 months) weighing 200–250 g were administered with DMH (25 mg/kg body weight, s.c.) twice a week for eight consecutive weeks. Rats receiving only DMH dose showed increased lipid peroxidation in liver and intestinal tissues with reduced activity of antioxidant enzymes, i.e. superoxide dismutase (SOD), catalase (CAT) and glutathione peroxidase (GPx). Oral dose of E. coli CFR 16::vgb-gfp harbouring pqq gene cluster increased rat faecal PQQ concentration by twofold, reduced lipid peroxidation and retained SOD, CAT and GPx activities close to normal levels in liver and colonic tissues following DMH treatment. In addition, significant protection was found in colonic histological sections of these rat groups. This study demonstrates a protective efficacy in the following order: E. coli CFR 16?<?E. coli CFR 16::vgb-gfp?<?vitamin C?=?PQQ?<?E. coli CFR 16::vgb-gfp (pqq).     

Expression of Galpha14 in sweet-transducing taste cells of the posterior tongue

Background  

"Type II"/Receptor cells express G protein-coupled receptors (GPCRs) for sweet, umami (T1Rs and mGluRs) or bitter (T2Rs), as well as the proteins for downstream signalling cascades. Transduction downstream of T1Rs and T2Rs relies on G-protein and PLCβ2-mediated release of stored Ca²⁺. Whereas Gαgus (gustducin) couples to the T2R (bitter) receptors, which Gα-subunit couples to the sweet (T1R2 + T1R3) receptor is presently not known. We utilized RT-PCR, immunocytochemistry and single-cell gene expression profiling to examine the expression of the Gαq family (q, 11, 14) in mouse taste buds.     

Energetics during proton transfer process in hydrated zündel ion complex

Zündel ion (H₅O) is one of the two important structures formed during the proton transfer process in aqueous system. This work reports microsolvation of Zündel ion using density functional theory based B3LYP method with aug‐cc‐pVTZ basis set. Interaction of Zündel ion with four water molecules in its first solvation shell is studied using many‐body analysis approach. A change in many‐body energies and their contribution to the binding energy of a complex during the proton transfer process from donor to acceptor water molecule in Zündel ion‐4H₂O complex is obtained. For the hydrated Zündel ion complex, the contribution from total two‐body, three‐body, four‐body, five‐body, and relaxation energy to the binding energy is 84.7, 14, 6.87, 1.6, and 4%, respectively, at B3LYP/aug‐cc‐pVTZ level. Relaxation energy and total five‐body energy have repulsive contribution to the binding energy of a hydrated Zündel ion complex. It is found that the relaxation energy and binding energy of a Zündel‐4H₂O complex is the maximum and minimum, respectively, when a shared proton is at equal distance from oxygen atom of donor and acceptor water molecules. A significant change in two‐body, three‐body, and four‐body energies for which Zündel ion is one of the many‐body terms is observed during the proton transfer process. A change in total two‐body, total three‐body, total four‐body, and relaxation energy is about 2.6, 1.8, 0.4, and 1.1%, respectively, during the proton transfer process. A change in two‐body, three‐body, and four‐body interaction energies between water molecules is very small during the proton transfer process. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012