A New Efficient Analytical Method for Picolinate Ion Measurements in Complex Aqueous Solutions

Energy Technology Data Exchange (ETDEWEB)

Parazols, M.; Dodi, A. [CEA Cadarache, Lab Anal Radiochim and Chim, DEN, F-13108 St Paul Les Durance (France)

2010-07-01

This study focuses on the development of a new simple but sensitive, fast and quantitative liquid chromatography method for picolinate ion measurement in high ionic strength aqueous solutions. It involves cation separation over a chromatographic CS16 column using methane sulfonic acid as a mobile phase and detection by UV absorbance (254 nm). The CS16 column is a high-capacity stationary phase exhibiting both cation exchange and RP properties. It allows interaction with picolinate ions which are in their zwitterionic form at the pH of the mobile phase (1.3-1.7). Analysis is performed in 30 min with a detection limit of about 0.05 {mu}M and a quantification limit of about 0.15 {mu}M. Moreover, this analytical technique has been tested efficiently on complex aqueous samples from an effluent treatment facility. (authors)

Effect of Salicylic and Picolinic Acids on the Adsorption of U(VI) onto Oxides

International Nuclear Information System (INIS)

Park, Kyoung Kyun; Jung, Euo Chang; Cho, Hye Ryun; Song, Kyu Seok

2009-01-01

The effect of organic acids on the adsorption of U(VI) onto oxide surfaces (TiO 2 (anatase), SiO 2 (amorphous) and Al 2 O-3(amorphous)) has been investigated. Two different organic acids, salicylic and picolinic acids, were used. Changes of adsorption ratio of U(VI), which depend on the existence of organic acids in a sample, were measured as a function of pH. Quantities of adsorbed organic acids, which depend on the existence of U(VI) in a sample, were also measured as a function of pH. It is confirmed that the soluble complex formation of U(VI) with organic acids can deteriorate the adsorption of U(VI) onto TiO 2 surface. It is noteworthy that salicylic acid does not affect the adsorption of U(VI) onto SiO 2 surface, however, picolinic acid enhances the adsorption of U(VI) onto SiO 2 surface. The latter effect can be understood by considering the formation of a ternary surface complex on SiO 2 surface, which was confirmed by the co-adsorption of picolinic acid with U(VI) and the change in a fluorescence spectra of U(VI) on surface, In the case of Al 2 O-3, organic acids themselves were largely adsorbed onto a surface without deteriorating the adsorption of U(VI). This would support the possibility of a ternary surface complex formation on the Al 2 O-3 surface, and an additional spectroscopic study is required.

Nuclear magnetic relaxation in picolines solutions in carbon tetrachloride

International Nuclear Information System (INIS)

Jurga, J.; Pajak, Z.; Jurga, K.; Jurga, S.

1973-01-01

Spin-lattice relaxation times of the ring and CH 3 group have been measured in order to establish the temperature dependence of the longitudinal relaxation times for picolins in carbon tetrachloride solutions. The information concerning the intramolecular contribution to the relaxation times have been obtained. The high resolution NPR spectrometer operating at 25 MHz has been used. The measurements have been performed in the temperature range from -60degC to 80degC. The experimental results are compared to the predictions given by the Nora Hill and Debye models and it has been found that the Nora Hill model fits the experimental data better than the Debye model. (S.B.)

Synthesis and characterization of lanthanide picrate complexes with 4-picoline-N-oxide (4-pic N O)

International Nuclear Information System (INIS)

Silva, E.M. da.

1991-01-01

The lanthanide picrate complexes with 4-picoline-N-oxide were obtained from ethanolic solutions of the hydrated lanthanide picrate and the ligand. The lanthanide content was determined by complexometric titration with EDTA. Carbon, Nitrogen and Hydrogen were determined by microanalytical procedures. Chemical analysis of the lanthanide picrate complexes are also presented. (author)

Metal complexation by tripodal N-Acyl(thio)urea and picolin(thio)amide compounds: synthesis/extraction and potentiometric studies

NARCIS (Netherlands)

Reinoso garcia, M.M.; Dijkman, Arjan; Verboom, Willem; Reinhoudt, David; Malinowska, Elzbieta; Wojciechowska, Dorota; Pietrzak, Mariusz; Selucky, Pavel

2005-01-01

The synthesis and binding properties towards different cations of a series of tripodal ligands functionalized with N-acyl(thio)urea and picolin(thio)amide moieties are described. For the extraction of Am3+ and Eu3+ the compounds are not efficient. However, N-acylurea derivative 10 exhibit a

Vibrational spectra and normal co-ordinate analysis of 2-aminopyridine and 2-amino picoline.

Science.gov (United States)

Jose, Sujin P; Mohan, S

2006-05-01

The Fourier transform infrared (FT-IR) and Raman (FT-R) spectra of 2-aminopyridine and 2-amino picoline were recorded and the observed frequencies were assigned to various modes of vibration in terms of fundamentals by assuming Cs point group symmetry. A normal co-ordinate analysis was also carried out for the proper assignment of the vibrational frequencies using simple valence force field. A complete vibrational analysis is presented here for the molecules and the results are briefly discussed.

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

Energy Technology Data Exchange (ETDEWEB)

Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avcı, Davut; Atalay, Yusuf

2015-11-15

A cobalt(II) complex of picolinate was synthesized, and its structure was fully characterized by the applying of X-ray diffraction method as well as FT-IR, FT-Raman and UV–vis spectroscopies. In order to both support the experimental results and convert study to more advanced level, density functional theory calculations were performed by using B3LYP level. Single crystal X-ray structural analysis shows that cobalt(II) ion was located to the center of distorted octahedral geometry. The C=O, C=C and C=N stretching vibrations were found as highly active and strong peaks, inducing the molecular charge transfer within Co(II) complex. The small energy gap between frontier molecular orbital energies was another indicator of molecular charge transfer interactions within Co(II) complex. The nonlinear optical properties of Co(II) complex were investigated at DFT/B3LYP level, and the hypepolarizability parameter was found to be decreased due to the presence of inversion symmetry. The natural bond orbital (NBO) analysis was performed to investigate molecular stability, hyperconjugative interactions, intramolecular charge transfer (ICT) and bond strength for Co(II) complex. Finally, molecular electrostatic potential (MEP) and spin density distributions for Co(II) complex were evaluated. - Highlights: • Co(II) complex of picolinate was prepared. • Its FT-IR, FT-Raman and UV–vis spectra were measured. • DFT calculations were performed to support experimental results. • Small HOMO-LUMO energy gap is an indicator of molecular charge transfer. • Spin density localized on Co(II) as well as O and N atoms.

Addition compounds between lanthanide (III) and yttrium (III) and methanesulfonates (MS) and 3-picoline-N-oxide (3-pic NO)

International Nuclear Information System (INIS)

Zinner, L.B.

1984-01-01

The preparation and characterization of addition compounds between lanthanide methanesulfonates and 3-picoline-N-oxide of general formula Ln (MS) 3 .2(3-pic No), Ln being La, Yb and Y, were carried out. The techniques employed for characterization were: elemental analysis, X-ray diffraction, infrared absorption spectroscopy, electrolytic conductance in methanol, melting ranges and emission spectrum of the Eu (III) compound. (Author) [pt

Spectrophotometric determination of palladium (II) with rubeanic acid (RA) in presence of pyridine, piperidine and 3-picoline

International Nuclear Information System (INIS)

Hassiruzzaman, M.; Hossain, M.A.; Rahman, G.M.M.; Kamal, A.S.M.; Kabir, M.H.; Mustafa, A.I.

1999-01-01

Unpretentious and exclusive methods for the spectrophotometric determination of trace amount of divalent palladium (II) have been developed with rubeanic acid (dithio-oxamide) in presence of secondary ligands like pyridine, piperidine and 3-picoline. Both direct and extraction spectrophotometry showed that coloured rubeanates are only stable in acidic medium. The violent yellow coloured products are formed below ph 5.0 with an absorption maxima at 416.0 and 422.0 (pyridine), 405.0 and 416.5 (piperidine) and 418.0 and 422.0 (3-picoline) both in direct and isoamyl alcohol (IAA) extracted system, respectively. Results indicate that the highest sensitivity and molar absorptivity of Pd-RA pyridine system in direct spectrophotometry were 0.01497 mu g Pd(II) cm/sup -2/ and 7107.89 L mol sup -1/ cm/sup -1/ respectively. IAA extracted Pd-RA-piperidine system was found to give a sensitivity of 0.01087 mu g(Pd(II) cm /sup -2/ and molar absorptivity of 9788.80 L mol /sup -1/ cm/sup -1/ which were the highest of all the system. The effects due to variation of pH, reagent concentrations, order of addition of reagents, time, temperature and solvent media on the absorption spectra have been investigated and the optimum conditions determined. The effects of diverse ions and their tolerance limit have also been studies. (author)

Significant enhancement of 11-Hydroxy-THC detection by formation of picolinic acid esters and application of liquid chromatography/multi stage mass spectrometry (LC-MS(3) ): Application to hair and oral fluid analysis.

Science.gov (United States)

Thieme, Detlef; Sachs, Ulf; Sachs, Hans; Moore, Christine

2015-07-01

Formation of picolinic acid esters of hydroxylated drugs or their biotransformation products is a promising tool to improve their mass spectrometric ionization efficiency, alter their fragmentation behaviour and enhance sensitivity and specificity of their detection. The procedure was optimized and tested for the detection of cannabinoids, which proved to be most challenging when dealing with alternative specimens, for example hair and oral fluid. In particular, the detection of the THC metabolites hydroxyl-THC and carboxy-THC requires ultimate sensitivity because of their poor incorporation into hair or saliva. Both biotransformation products are widely accepted as incorporation markers to distinguish drug consumption from passive contamination. The derivatization procedure was carried out by adding a mixture of picolinic acid, 4-(dimethylamino)pyridine and 2-methyl-6-nitrobenzoic anhydride in tetrahydrofuran/triethylamine to the dry extraction residues. Resulting derivatives were found to be very stable and could be reconstituted in aqueous or organic buffers and subsequently analyzed by liquid chromatography-mass spectrometry (LC-MS). Owing to the complex consecutive fragmentation patterns, the application of multistage MS3 proved to be extremely useful for a sensitive identification of doubly picolinated hydroxy-THC in complex matrices. The detection limits - estimated by comparison of corresponding signal-to-noise ratios - increased by a factor of 100 following picolination. All other species examined, like cannabinol, THC, cannabidiol, and carboxy-THC, could also be derivatized exhibiting only moderate sensitivity improvements. The assay was systematically tested using hair samples and exemplarily applied to oral fluid. Concentrations of OH-THC identified in THC-positive hair samples ranged from 0.02 to 0.29pg/mg. Copyright © 2014 John Wiley & Sons, Ltd.

Blood Parameters and Toxicity of Chromium Picolinate Oral Supplementation in Lambs.

Science.gov (United States)

Dallago, Bruno Stéfano Lima; Braz, ShélidaVasconcelos; Marçola, Tatiana Guerrero; McManus, Concepta; Caldeira, Denise Ferreira; Campeche, Aline; Gomes, Edgard Franco; Paim, Tiago Prado; Borges, Bárbara Oliveira; Louvandini, Helder

2015-11-01

The effects of oral supplementation of chromium picolinate (CrPic) on various blood parameters and their possible toxicity on the liver, kidneys, lungs, heart, and testis were investigated. Twenty-four Santa Inês (SI) lambs were treated with four different concentrations of CrPic (six animals/treatment): placebo, 0.250, 0.375, and 0.500 mg CrPic/animal/day for 84 days. The basal diet consisted of hay Panicum maximum cv Massai and concentrate. Blood and serum were collected fortnightly for analysis. On day 84, the animals were euthanized, and histopathological analysis in the liver, kidney, heart, lung, and testis was made. The liver and kidney were also submitted to electronic microscopy analysis. Differences between treatments (P plasm protein (day 56 and day 84), and triglycerides (day 70). There was no statistically significant relationship between Cr supplementation and histopathology findings, although some animals treated with supplementary Cr showed morphological changes in the liver, kidney, and testis. Thus, the effectiveness of supplementation with Cr remains in doubt as to its physiological action and toxicity in sheep.

EFSA NDA Panel (EFSA Panel on Dietetic Products, Nutrition and Allergies), 2014. Scientific Opinion on the substantiation of a health claim related to a combination of L-threonine, L-valine, L-leucine, L-isoleucine, L-lysine plus chromium picolinate and reduction of post-prandial glycaemic

DEFF Research Database (Denmark)

Tetens, Inge

2014-01-01

on the scientific substantiation of a health claim related to a combination of L-threonine, L-valine, L-leucine, L-isoleucine, L-lysine plus chromium picolinate and reduction of post-prandial glycaemic responses. The Panel considers that the food is sufficiently characterised. The target population proposed...... not been established between the consumption of the food, a combination of L-threonine, L-valine, L-leucine, L-isoleucine, L-lysine plus chromium picolinate, and a beneficial physiological effect for the target population....

Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations.

Science.gov (United States)

Vogt, Natalja; Marochkin, Ilya I; Rykov, Anatolii N

2018-04-18

The accurate molecular structure of picolinic acid has been determined from experimental data and computed at the coupled cluster level of theory. Only one conformer with the O[double bond, length as m-dash]C-C-N and H-O-C[double bond, length as m-dash]O fragments in antiperiplanar (ap) positions, ap-ap, has been detected under conditions of the gas-phase electron diffraction (GED) experiment (Tnozzle = 375(3) K). The semiexperimental equilibrium structure, rsee, of this conformer has been derived from the GED data taking into account the anharmonic vibrational effects estimated from the ab initio force field. The equilibrium structures of the two lowest-energy conformers, ap-ap and ap-sp (with the synperiplanar H-O-C[double bond, length as m-dash]O fragment), have been fully optimized at the CCSD(T)_ae level of theory in conjunction with the triple-ζ basis set (cc-pwCVTZ). The quality of the optimized structures has been improved due to extrapolation to the quadruple-ζ basis set. The high accuracy of both GED determination and CCSD(T) computations has been disclosed by a correct comparison of structures having the same physical meaning. The ap-ap conformer has been found to be stabilized by the relatively strong NH-O hydrogen bond of 1.973(27) Å (GED) and predicted to be lower in energy by 16 kJ mol-1 with respect to the ap-sp conformer without a hydrogen bond. The influence of this bond on the structure of picolinic acid has been analyzed within the Natural Bond Orbital model. The possibility of the decarboxylation of picolinic acid has been considered in the GED analysis, but no significant amounts of pyridine and carbon dioxide could be detected. To reveal the structural changes reflecting the mesomeric and inductive effects due to the carboxylic substituent, the accurate structure of pyridine has been also computed at the CCSD(T)_ae level with basis sets from triple- to 5-ζ quality. The comprehensive structure computations for pyridine as well as for

4,4′,4″-Trimethyl-2,2′:6′,2″-terpyridine by Oxidative Coupling of 4-Picoline

Science.gov (United States)

2015-01-01

Alkylated terpyridine ligands are an increasingly important component of catalysis and dyes but are costly because their synthesis is challenging and often low-yielding. We report an improved method for the Pd/C-catalyzed dehydrogenative coupling of 4-picoline to form the bi- and terpyridine. The addition of MnO2 improves the yield of the reaction, making the reaction useful on a large scale (up to 200 mmol). The use of Pd(OAc)2 or Pd/C/pivalic acid leads to the selective formation of bipyridine. PMID:25343728

Reductive amination of glutaraldehyde 2,4-dinitrophenylhydrazone using 2-picoline borane and high-performance liquid chromatographic analysis.

Science.gov (United States)

Uchiyama, Shigehisa; Sakamoto, Hironari; Ohno, Akiko; Inaba, Yohei; Nakagome, Hideki; Kunugita, Naoki

2012-09-21

A typical method for the measurement of glutaraldehyde (GLA) employs 2,4-dinitrophenylhydrazine (DNPH) to form GLA-DNPhydrazone derivatives. However, this method is subject to analytical errors because GLA-DNPhydrazone is a quaternary bis-derivative and forms three geometric isomers (E-E, E-Z and Z-Z) as a result of the two C[double bond, length as m-dash]N double bonds. To overcome this issue, a method for transforming the C[double bond, length as m-dash]N double bond into a C-N single bond, using reductive amination of DNPhydrazone derivatives, has been applied. The amination reaction of GLA-DNPhydrazones with 2-picoline borane is accelerated with catalytic amounts of acid and is completed within 10 minutes in the presence of 100 mmol L(-1) phosphoric acid. Reduction of GLA-DNPhydrazone by 2-picoline borane is unique and results in the formation of N-(2,4-dinitrophenyl)-1-piperidinamine (DNPPA). NMR and LC-APCI-MS data confirmed the product identification. DNPPA is very stable and did not change when stored for at least four weeks at room temperature. DNPPA has excellent solubility of 14.6 g L(-1) at 20 °C in acetonitrile. The absorption maximum wavelength and the molar absorptivity of DNPPA were 351 nm and 4.2 × 10(4) L mol(-1) cm(-1) respectively. Complete separation between the reduced forms of C1-C10 aldehyde DNPhydrazones, including DNPPA, can be achieved by operating the reversed-phase high-performance liquid chromatograph at 351 nm in gradient mode using a C18 amide column. The reductive amination method for GLA overcomes analytical errors caused by E-E, E-Z and Z-Z geometrical isomers.

Reductive amination of aldehyde 2,4-dinitorophenylhydrazones using 2-picoline borane and high-performance liquid chromatographic analysis.

Science.gov (United States)

Uchiyama, Shigehisa; Inaba, Yohei; Matsumoto, Mariko; Suzuki, Gen

2009-01-01

A new method for the determination of carbonyls in air using 2,4-dinitrophenylhydrazine (DNPH) has been developed. The traditional method for the measurement of carbonyl compounds, using DNPH to form the corresponding 2,4-dinitrophenylhydrazone (DNPhydrazone) derivatives, is subject to analytical errors because DNPhydrazones form both E- and Z-geometrical isomers as a result of the C=N double bond. To overcome this issue, a method for transforming the C=N double bond into a C-N single bond, using reductive amination of DNPhydrazone derivatives, has been developed. Reductive amination of aldehyde DNPhydrazones was carried out by adding 2-picoline borane acetonitrile solution in eluate through the DNPH-cartridge. The amination reactions of C(1)-C(10) aldehyde DNPhydrazones were completely converted into the reduced forms within 40 min in the presence of 1 mmol/L 2-picoline borane and 20 mmol/L of phosphoric acid. These reduced forms were very stable and did not change when stored for 2 weeks at room temperature. The absorption maximum wavelengths of the reduced forms from C(1)-C(10) aldehyde DNPhydrazones were 351-352 nm and shifted 6-7 nm toward shorter wavelengths when compared to the corresponding DNPhydrazones, and the molar absorption coefficients were 1.5 x 10(4) (C(1)) to 2.2 x 10(4) L/mol/cm (C(10)). Complete separation between C(1)-C(10) aldehyde DNPhydrazones and the corresponding reduced forms can be achieved by operating the HPLC in gradient mode using an Ascentis RP-Amide column (150 mm x 4.6 mm i.d.). The RSDs of DNPhydrazone (Z + E) peak areas ranged from 0.40-0.66 and those of the corresponding reduced forms ranged from 0.26-0.41. It was shown that the reductive amination method gave improved HPLC analytical precision because of the absence of isomers.

Chromium picolinate induced apoptosis of lymphocytes and the signaling mechanisms thereof

International Nuclear Information System (INIS)

Jana, Mahadevan; Rajaram, Anantanarayanan; Rajaram, Rama

2009-01-01

Cr(III)(picolinate) 3 [Cr(III)(pic) 3 ] is currently used as a nutritional supplement and for treating Type-2 diabetes. The effect of Cr(III)(pic) 3 uptake in peripheral blood lymphocytes is investigated in this study. From the cytotoxicity data, DNA fragmentation pattern, Annexin V staining, TUNEL positivity and the ultrastructural characteristics such as chromatin condensation and formation of apoptotic bodies, it is clear that Cr(III)(pic) 3 induces a concentration dependent apoptosis. It is shown that reactive oxygen species (ROS) produced by treatment with Cr(III)(pic) 3 leads to apoptosis, since we find that pretreatment with N-acetyl cysteine inhibits the process. Using Western blotting technique and fluorescence measurements, the downstream signaling molecules have also been identified. Cr(III)(pic) 3 treatment leads to collapse of the mitochondrial membrane potential, Bax expression, increase in cytosolic cytochrome c content and active caspase-3 and DNA fragmentation and all these manifestations are reduced by pretreating the lymphocytes with N-acetyl cysteine. Thus, it is shown that Cr(III)(pic) 3 is cytotoxic to lymphocytes with ROS and mitochondrial events playing a role in bringing about apoptosis.

Thermodynamic properties of binary mixtures of tetrahydropyran with pyridine and isomeric picolines: Excess molar volumes, excess molar enthalpies and excess isentropic compressibilities

International Nuclear Information System (INIS)

Saini, Neeti; Jangra, Sunil K.; Yadav, J.S.; Sharma, Dimple; Sharma, V.K.

2011-01-01

Research highlights: → Densities, ρ and speeds of sound, u of tetrahydropyran (i) + pyridine or α-, β- or γ-picoline (j) binary mixtures at 298.15, 303.15 and 308.15 K and excess molar enthalpies, H E of the same set of mixtures at 308.15 K have been measured as a function of composition. → The observed densities and speeds of sound values have been employed to determine excess molar volumes, V E and excess isentropic compressibilities, κ S E . → Topology of the constituents of mixtures has been utilized (Graph theory) successfully to predict V E , H E and κ S E data of the investigated mixtures. → Thermodynamic data of the various mixtures have also been analyzed in terms of Prigogine-Flory-Patterson (PFP) theory. - Abstract: Densities, ρ and speeds of sound, u of tetrahydropyran (i) + pyridine or α-, β- or γ- picoline (j) binary mixtures at 298.15, 303.15 and 308.15 K and excess molar enthalpies, H E of the same set of mixtures at 308.15 K have been measured as a function of composition using an anton Parr vibrating-tube digital density and sound analyzer (model DSA 5000) and 2-drop micro-calorimeter, respectively. The resulting density and speed of sound data of the investigated mixtures have been utilized to predict excess molar volumes, V E and excess isentropic compressibilities, κ S E . The observed data have been analyzed in terms of (i) Graph theory; (ii) Prigogine-Flory-Patterson theory. It has been observed that V E , H E and κ S E data predicted by Graph theory compare well with their experimental values.

Vanadyl complexes with dansyl-labelled di-picolinic acid ligands: synthesis, phosphatase inhibition activity and cellular uptake studies.

Science.gov (United States)

Collins, Juliet; Cilibrizzi, Agostino; Fedorova, Marina; Whyte, Gillian; Mak, Lok Hang; Guterman, Inna; Leatherbarrow, Robin; Woscholski, Rudiger; Vilar, Ramon

2016-04-28

Vanadium complexes have been previously utilised as potent inhibitors of cysteine based phosphatases (CBPs). Herein, we present the synthesis and characterisation of two new fluorescently labelled vanadyl complexes (14 and 15) with bridged di-picolinic acid ligands. These compounds differ significantly from previous vanadyl complexes with phosphatase inhibition properties in that the metal-chelating part is a single tetradentate unit, which should afford greater stability and scope for synthetic elaboration than the earlier complexes. These new complexes inhibit a selection of cysteine based phosphatases (CBPs) in the nM range with some selectivity. Fluorescence spectroscopic studies (including fluorescence anisotropy) were carried out to demonstrate that the complexes are not simply acting as vanadyl delivery vehicles but they interact with the proteins. Finally, we present preliminary fluorescence microscopy studies to demonstrate that the complexes are cell permeable and localise throughout the cytoplasm of NIH3T3 cells.

Sonochemical synthesis and characterization of a novel hetro-binuclear metal organic nano polymer based on picolinic acid ligand

Science.gov (United States)

Hayati, Payam; Souri, Bagher; Rezvani, Ali Reza; Morsali, Ali; Gutierrez, Angel

2017-12-01

Nanoparticles of one new lead and K coordination polymer (CP), {[Pb6(pyc)6(N3)7K].½H2O}n (1) Hpyc = picolinic acid ligand, has been synthesized by use of a sonochemical process and characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRPD), Fourier transform infrared spectroscopy (FTIR) spectroscopy and elemental analyses. The single crystal X-ray data of compound 1 imply that the Pb ion is seven coordinated. The thermal stability of compound 1 has been studied by thermogravimetric (TG) and differential scanning calorimetry (DSC). The role of temperature, reaction time and ultrasound irradiation power on the size and morphfology of the nano-structured compound obtained from 1, have been investigated. Results indicate that an increase of temperature and sonication power and a decrease in time reaction led to a decrease of particle size.

Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods

International Nuclear Information System (INIS)

Rode, Michał F.; Sobolewski, Andrzej L.

2014-01-01

Effect of chemical substitutions to the molecular structure of 3-hydroxy-picolinic acid on photo-switching properties of the system operating on excited-state intramolecular double proton transfer (d-ESIPT) process [M. F. Rode and A. L. Sobolewski, Chem. Phys. 409, 41 (2012)] was studied with the aid of electronic structure theory methods. It was shown that simultaneous application of electron-donating and electron-withdrawing substitutions at certain positions of the molecular frame increases the height of the S 0 -state tautomerization barrier (ensuring thermal stability of isomers) and facilitates a barrierless access to the S 1 /S 0 conical intersection from the Franck-Condon region of the S 1 potential-energy surface. Results of study point to the conclusion that the most challenging issue for practical design of a fast molecular photoswitch based on d-ESIPT phenomenon are to ensure a selectivity of optical excitation of a given tautomeric form of the system

Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods

Science.gov (United States)

Rode, Michał F.; Sobolewski, Andrzej L.

2014-02-01

Effect of chemical substitutions to the molecular structure of 3-hydroxy-picolinic acid on photo-switching properties of the system operating on excited-state intramolecular double proton transfer (d-ESIPT) process [M. F. Rode and A. L. Sobolewski, Chem. Phys. 409, 41 (2012)] was studied with the aid of electronic structure theory methods. It was shown that simultaneous application of electron-donating and electron-withdrawing substitutions at certain positions of the molecular frame increases the height of the S0-state tautomerization barrier (ensuring thermal stability of isomers) and facilitates a barrierless access to the S1/S0 conical intersection from the Franck-Condon region of the S1 potential-energy surface. Results of study point to the conclusion that the most challenging issue for practical design of a fast molecular photoswitch based on d-ESIPT phenomenon are to ensure a selectivity of optical excitation of a given tautomeric form of the system.

Prediction and measurement of complexation of radionuclide mixtures by α-isosaccharinic, gluconic and picolinic acids

International Nuclear Information System (INIS)

Nick Evans; Peter Warwick; Monica Felipe-Sotelo

2012-01-01

The purpose of this study was to investigate the effects of competition between cobalt, europium and strontium for isosaccharinate, gluconate and picolinate. Systems where results indicated that competitive effects were significant have been identified. Thermodynamic calculations were performed for each system for comparison with the experimental results. Some exceptions may be due to precipitation of some species, or presence of species not in databases, or formation of mixed-metal complexes, or sorption to the solid phase(s). In some of the experiments, the complexity of the systems studied caused difficulty in identifying consistent trends. By concentrating on the results for simpler systems (i.e. for solubilities in the presence and absence of organic complexants and with just one competing metal ion), the evidence for competition effects has been investigated. Evidence for solubility enhancement due to organic ligands was apparent in the data for the systems Co with gluconate and Eu with isosaccharinate and gluconate. Of these above cases, the systems in which the effects of the competing ion are consistent with competition were limited to the cases of Eu with isosaccharinate and Sr as the competing ion, and Eu with gluconate and either Co or Sr as the competing ion. (author)

Synthesis and characterization of technetium(III) complexes with nitrogen heterocycles by O atom transfer from oxotechnetium(V) cores. Crystal structures of mer-[Cl3(pic)3Tc] and mer-[Cl3(pic)(PMe2Ph)2Tc] (pic = 4-picoline). Electrochemical parameters fore the reduction of TcII, TcIII, and TcIV

International Nuclear Information System (INIS)

Lu, Jun; Yamano, Akahito; Clarke, M.J.

1990-01-01

The combination of pyridine ligands, (OCl 4 Tc) - , and O atom acceptors of different cone angles, such as PMe 2 Ph or PPh 3 , results in Tc III complexes that vary in the coordination of the phosphine ligand. The compounds mer[Cl 3 (4-picoline) 3 Tc] and mer-(Cl 3 (4-picoline)(PMe 2 Ph) 2 Tc) have been obtained in good yield and have been characterized spectroscopically and by single-crystal x-ray diffraction. The crystal structure data are reported. Linear correlations of technetium reduction potentials in DMF with electrochemical ligand additivity parameters (E L 's) have been obtained for the Tc II,I , Tc III,II , and Tc IV,III couples. The slope and intercept (S M , I M ) pairs for each technetium oxidation-reduction couple, respectively, are (1.39, -2.07), (1.29, -0.91), and (1.00, 0.65). 32 refs., 3 figs., 6 tabs

Synthesis, spectroscopic, DFT calculations and biological activity studies of ruthenium carbonyl complexes with 2-picolinic acid and a secondary ligand

Science.gov (United States)

Shohayeb, Shahera M.; Mohamed, Rania G.; Moustafa, H.; El-Medani, Samir M.

2016-09-01

Thermal reaction of [Ru3(CO)12] with 2-picolinic acid (Hpic) in the absence and presence of a secondary ligand (pyridine, Py, bipyridine, Bipy, or thiourea, Tu) was investigated. Four complexes with molecular formulae: [Ru(CO)3(Hpic)], 1, [Ru2(CO)5(Hpic)(Py)], 2, [Ru2(CO)5(Hpic)(Tu)], 3 and [Ru2(CO)4(Hpic)(Bipy)], 4, were isolated. All complexes were characterized based on elemental analyses, IR, 1H NMR, magnetic studies, mass spectrometry and thermal analysis. The ligand and its complexes have been screened for antibacterial activities. Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p)_ level of theory have been carried out to investigate the equilibrium geometry of the ligands. The optimized geometry parameters of the complexes were evaluated using B3LYP method and LANL2DZ basis set. The extent of natural charge population (core, valence and rydberg), exact electronic configuration, total Lewis and total non-Lewis are estimated and discussed in terms of natural bond orbitals (NBO) analysis.

Metabolic stability of new anticonvulsants in body fluids and organ homogenates.

Science.gov (United States)

Marszałek, Dorota; Goldnik, Anna; Pluciński, Franciszek; Mazurek, Aleksander P; Jakubiak, Anna; Lis, Ewa; Tazbir, Piotr; Koziorowska, Agnieszka

2012-01-01

The stability as a function of time of compounds with established anticonvulsant activity: picolinic acid benzylamide (Pic-BZA), picolinic acid 2-fluorobenzylamide (Pic-2-F-BZA), picolinic acid 3-fluorobenzylamide (Pic-3-F-BZA), picolinic acid 4-fluorobenzylamide (Pic-4-F-BZA) and picolinic acid 2-methylbenzylamide (Pic-2-Me-BZA) in body fluids and homogenates of body organs were determined after incubation. It was found that they decompose relatively rapidly in liver and kidney and are stable against enzymes present in body fluids and some organs. These results are consistent with the bond strength expressed as total energy of amide bonds (calculated by quantum chemical methods) in the studied anticonvulsants. The calculated values of the amide bond energy are: 199.4 kcal/mol, 200.2 kcal/mol, 207.5 kcal/mol, 208.4 kcal/mol and 198.2 kcal/mol, respectively. The strength of the amide bonds in the studied anticonvulsants correctly reflects their stability in liver or kidney.

LONG TERM EFFECT OF CHROMIUM ON LIPID PROFILE AND SOME HORMONES IN OBESE RATS

International Nuclear Information System (INIS)

GABR, S.A.; ABDEL-KHALEK, L.G.; GHAREIB, S.A.

2008-01-01

In the present study, the long term effect of chromium picolinate (intake 30 and 60 days) on lipid profile, testosterone, thyroid hormones, corticosterone and insulin was studied in obese male rats. A total of 48 male albino rats were arranged into four equal groups. The rats were distributed into four equal main groups: 1- Normal rats left without any treatment and served as a control group. 2- Normal rats treated with chromium picolinate at a dose of 40 μg/kg/day. 3-Obese rats (after the induction of obesity) using fed high fat diet. 4- Obese rats treated with chromium picolinate. The results obtained showed that normal rats treated with chromium picolinate for 30 or 60 days had no changes in total cholesterol, triglycerides, total lipids, LDL-cholesterol, HDL-cholesterol, triiodothyronine (T 3 ) and thyroxine (T 4 ) when compared with the control group. The testosterone and corticosterone levels were significantly decreased in rats treated with chromium picolinate for 60 days. Insulin level was significantly increased in treated rats for 60 days when compared with the control ones. In obese rats, the lipid profile and corticosterone were significantly increased at 30 and 60 days, while the insulin levels were increased in obese rats fed on high fat diet for 30 days as compared with the control rats. The administration of chromium picolinate to obese rats succeeded to decrease the lipid profile, corticosterone (at 60 days) and insuline (at 30 days) when compared with the obese rats. It could be concluded from this study that chromium picolinate possess beneficial effects in decreasing lipid profile in obese rats. Therefore, additional of chromium picolinate may be useful in obese rats to burn excess body fat and in treatment of hypercholesterolemia. Since it cause decrease in testosterone level, its use was advised to restrict to relatively old age

Use of computer graphics for calculation of stability constants of praseodymium tris-(1,1,1,2,2,3,3,5-octafluoro-5-trifluromethyl-4-oxo-8-phenyloctanedion-6,8) adduct with 4-picoline from the NMR spectroscopy data

International Nuclear Information System (INIS)

Buiklinskij, V.D.; Kuznetsova, S.L.; Kostyrina, T.V.; Panyushkina, V.T.

1991-01-01

Lanthanide shifting reagent (LSR) on the basis of β-diketone of asymmetric structure, containing heteroatom-oxygen in fluorinated radical, has been synthesized. Adduct formation of LSR synthesized with 4-picoline has been studied by the method of NMR spectroscopy. The composition of the adduct formed, being 1:2, is determined. Stability constant of the adduct considered is calculated by previously suggested method, which consists in taking into account of equilibrium concentrations of the substrate in two experiments. Possibilities of computer graphics for the evaluation of paramters of the mathematical model suggested are demonstrated. The values of stability stepped constants of the adduct are calculated: lg K 1 =3.4±0.1; lg K 2 =2.0±0.1

A Double-Blind, Randomized Pilot Trial of Chromium Picolinate for Overweight Individuals with Binge-Eating Disorder: Effects on Glucose Regulation.

Science.gov (United States)

Sala, Margarita; Breithaupt, Lauren; Bulik, Cynthia M; Hamer, Robert M; La Via, Maria C; Brownley, Kimberly A

2017-03-04

Chromium treatment has been shown to improve glucose regulation in some populations. The purpose of this study was to evaluate whether chromium picolinate (CrPic) supplementation improves glucose regulation in overweight individuals with binge-eating disorder (BED). In this double-blinded randomized pilot trial, participants (N = 24) were randomized to high (HIGH, 1000 mcg/day, n = 8) or moderate (MOD, 600 mcg/day, n = 9) dose of CrPic or placebo (PL, n = 7) for 6 months. Participants completed an oral glucose tolerance test (OGTT) at baseline, 3 months, and 6 months. Fixed effects models were used to estimate mean change in glucose area under the curve (AUC), insulin AUC , and insulin sensitivity index (ISI). Results revealed a significant group and time interaction (p < 0.04) for glucose AUC , with glucose AUC increasing significantly in the PL group (p < 0.02) but decreasing significantly in the MOD group (p < 0.03) at 6 months. Insulin AUC increased significantly over time (main effect, p < 0.02), whereas ISI decreased significantly over time (main effect, p < 0.03). As anticipated, a moderate dose of CrPic was associated with improved glycemic control, whereas PL was associated with decreased glycemic control. It was unexpected that the improved glycemic control seen in the MOD dose group was not seen in the HIGH dose group. However, although participants randomized to the HIGH dose group did not have improved glycemic control, they had better glycemic control than participants randomized to the PL group. These findings support the need for larger trials.

Manganese(II chelates of bioinorganic and medicinal relevance: Synthesis, characterization, antibacterial activity and 3D-molecular modeling of some penta-coordinated manganese(II chelates in O,N-donor coordination matrix of β-diketoenolates and picolinate

Directory of Open Access Journals (Sweden)

R.C. Maurya

2016-09-01

Full Text Available Four new mixed-ligand complexes of manganese(II of the composition [Mn(pa(L(H2O], where paH = picolinic acid and LH = acetoacetanilide (aaH, o-acetoacetanisidide (o-aansH, o-acetoacetotoluidide (o-aatdH or ethylacetoacetate (eacacH, have been synthesized by the interaction of MnCl2·4H2O with the said ligands in aqueous-ethanol medium. The complexes so obtained have been characterized on the basis of elemental analyses, molar conductance and magnetic measurements, thermogravimetric analyses, mass, EPR, infrared and electronic spectral studies. Synthesized complexes have shown significantly greater antibacterial activity against Escherichia coli and Vibrio cholera than ligands. The 3D-molecular modeling and analysis for bond lengths and bond angles have also been carried out for one of the representative compound [Mn(pa(aa(H2O] (1 to substantiate the proposed structures.

Solvent extraction of uranium(VI) with benzoylacetanilide and its nitro derivatives

International Nuclear Information System (INIS)

Mukherjee, Gautam Kumar; Das, Jyotirmoy

1984-01-01

The extraction behaviour of uranium(VI) chelates of benzoylacetanilide and four of its mononitro derivatives, viz., benzoyl-o-nitroacetanilide, benzoyl-m-nitroacetanilide, benzoyl-p-nitro-acetanilide and p-nitrobenzoylacetanilide from aqueous solution into carbon tetrachloride has been studied. The extractions have also been carried out in the presence of pyridine, α-picoline, β-picoline and γ-picoline. The extraction constants, and the two phase formation constants of the chelates and adducts have been determined. The effects of the nitro substituent in benzoylacetanilide and formation of syngergistic adducts have been discussed. (author)

Effect of zinc source and picolinic acid on 65Zn uptake in an in vitro continuous-flow perfusion system for pig and poultry intestinal segments

International Nuclear Information System (INIS)

Hill, D.A.; Peo, E.R. Jr.; Lewis, A.J.

1987-01-01

Twenty weanling pigs and fourteen 9-wk-old broiler chickens were used in three continuous-flow in vitro perfusion experiments using noneverted intestinal sacs to 1) determine differences in 65 Zn absorption due to location within the intestinal tract, 2) evaluate 65 Zn uptake from ZnCl 2 and Zn-methionine (ZnMet) with or without added picolinic acid (PA) in pig intestinal sacs and 3) evaluate 65 Zn uptake from ZnCl 2 and ZnMet in chicken intestinal sacs. No differences in 65 Zn uptake due to gut segment position were observed in the pigs. A Zn source x PA interaction was observed for 65 Zn uptake into the pig gut tissue and for 65 Zn uptake to the serosal side of the gut sacs. Total 65 Zn absorption in the pig gut sacs from the two Zn sources was not different, but the addition of a 5 M ratio of PA to Zn depressed 65 Zn absorption. No differences were observed in total 65 Zn absorption or 65 Zn uptake in poultry gut sac tissue. There was, however, greater uptake of 65 Zn from ZnCl 2 to the serosal side of the sacs than from ZnMet. The data indicate that 65 Zn from ZnCl 2 and ZnMet is similar in total absorption and that the addition of PA depresses Zn uptake

Type 2 Diabetic Rats on Diet Supplemented With Chromium Malate Show Improved Glycometabolism, Glycometabolism-Related Enzyme Levels and Lipid Metabolism

Science.gov (United States)

Feng, Weiwei; Zhao, Ting; Mao, Guanghua; Wang, Wei; Feng, Yun; Li, Fang; Zheng, Daheng; Wu, Huiyu; Jin, Dun; Yang, Liuqing; Wu, Xiangyang

2015-01-01

Our previous study showed that chromium malate improved the regulation of blood glucose in mice with alloxan-induced diabetes. The present study was designed to evaluate the effect of chromium malate on glycometabolism, glycometabolism-related enzymes and lipid metabolism in type 2 diabetic rats. Our results showed that fasting blood glucose, serum insulin level, insulin resistance index and C-peptide level in the high dose group had a significant downward trend when compared with the model group, chromium picolinate group and chromium trichloride group. The hepatic glycogen, glucose-6-phosphate dehydrogenase, glucokinase, Glut4, phosphor-AMPKβ1 and Akt levels in the high dose group were significantly higher than those of the model, chromium picolinate and chromium trichloride groups. Chromium malate in a high dose group can significantly increase high density lipoprotein cholesterol level while decreasing the total cholesterol, low density lipoprotein cholesterol and triglyceride levels when compared with chromium picolinate and chromium trichloride. The serum chromium content in chromium malate and chromium picolinate group is significantly higher than that of the chromium trichloride group. The results indicated that the curative effects of chromium malate on glycometabolism, glycometabolism-related enzymes and lipid metabolism changes are better than those of chromium picolinate and chromium trichloride. Chromium malate contributes to glucose uptake and transport in order to improved glycometabolism and glycometabolism-related enzymes. PMID:25942313

Effect Of Chromium- Picolinat On Biochemical And Histopathological ...

African Journals Online (AJOL)

Chromium III tris (picolinate) [Cr(pic)3]is a popular nutritional supplement; however its safety has been questioned, especially with regard to its ability to act as a clastogen. The aim of the present work was to evaluate the biochemical and morphological changes in the liver following oral administration of Cr-picolinate and ...

Mixed ligand complexes of uranyl lactate with some simple and heterocyclic amines

International Nuclear Information System (INIS)

Jaiswal, S.R.; Rupainwar, D.C.

1984-01-01

Mixed ligand complexes of uranyl lactate with simple and heterocyclic amines having a general formula UO 2 (C 3 H 5 O 3 ).nL.xH 2 O, were prepared, where n=1 and x=1 for L=ethylenediamine (En), dimethyl aniline (DMAn), diethyl amine (DEA), orthophenylenediamine (OPDA), pyridine (Py), 2-picoline(2-Pic), 3-picoline(3-Pic), 4-Picoline(4-Pic), piperidine (Pipy), 2,4-lutidine (2,4 Lut), 2-Aminopyridine (2 APy), quinoline (Quin), isoquinoline (Isoquin) but x=0 for the ligands 2,2'-bipyrldyl (Bipy) and 1,10-phenenthroline (Phen). All the compounds are bright yellow coloured with high decomposition temp. (>200deg) and were characterized by electronic and infrared spectral data. (author)

Coordination compounds of titanium, zirconium, tin, thorium and uranium

International Nuclear Information System (INIS)

Deshpande, S.G.; Jain, S.C.

1990-01-01

Reactions of isatin, furoic acid and picolinic acid have been carried out with titanium tetrachloride, tin tetrachloride, thorium tetrachloride, zirconyl chloride and uranyl nitrate. While 2:3(metal:ligand) type compounds of isatin have been obtained with Ti(IV) and Sn(IV), zirconium(IV), thorium(IV), and uranium(VI) do not react with the ligand under similar experimental conditions. Furoic acid (FAH) and picolinic acid(PicH) form various chloro furoates and picolinates when reacted with TiCl 4 , ZrOCl 2 and ThCl 4 , but do not react with SnCl 4 . The various compounds synthesised have been characterised on the basis of elemental analysis, infrared studies, conductivity and thermogravimetric measurements. (author). 1 tab., 10 refs

2005 Department of Defense Survey of Health Related Behaviors among Active Duty Military Personnel

Science.gov (United States)

2006-12-01

Fentanyl Cannabis , THC, "pot", "weed", "chronic" LSD ("acid"), Phencyclidine (PCP) ("angel dust"), Mescaline, Peyote, Psilocybin, "mushrooms" (or...Palmetto) . . . . . . . . . . . . Weight loss products (such as Chromium Picolinate, Ripped Fuel, caffeine , Dexatrim, Acutrim, Metabolife, Metabolite...Echinacea, Ginseng, Saw Palmetto) . . . . . . . . . . . . . . Weight loss products (such as Chromium Picolinate, Ripped Fuel, caffeine , Dexatrim

Complexation of thorium with pyridine monocarboxylates: A thermodynamic study by experiment and theory

International Nuclear Information System (INIS)

Rama Mohana Rao, D.; Rawat, Neetika; Manna, D.; Sawant, R.M.; Ghanty, T.K.; Tomar, B.S.

2013-01-01

Highlights: ► The thermodynamic parameters have been determined for the first time. ► The Th-picolinate complexation was exothermic in nature. ► The complexation of Th(IV) with the other two isomers was endothermic process. ► Isonicotinate forms stronger complexes than nicotinate with Th(IV). ► The theoretically calculated values are in line with the experimental results. -- Abstract: Complexation of thorium with pyridine monocarboxylates namely picolinic acid (pyridine-2-carboxylic acid), nicotinic acid (pyridine-3-carboxylic acid) and isonicotinic acid (pyridine-4-carboxylic acid) has been studied by potentiometry and calorimetry to determine the thermodynamic parameters (log K, ΔG, ΔH and ΔS) of complexation. All the studies were carried out at 1.0 M ionic strength adjusted by NaClO 4 and at a temperature of 298 K. The detailed analysis of potentiometric data by Hyperquad confirmed the formation of four complexes, ML i (i = 1–4) in case of picolinate but only one complex (ML) in case of nicotinate and isonicotinate. The stepwise formation constant for ML complex (log K ML ) of thorium-picolinate is higher than those of thorium-nicotinate and thorium-isonicotinate complexes. Further the changes in enthalpy during formation of thorium-picolinate complexes are negative whereas the same for the complexes of thorium with the other two isomers was positive. This difference in the complexation process is attributed to chelate formation in case of thorium-picolinate complexes in which the thorium ion is bound to the picolinate through both the nitrogen in the pyridyl ring and one of the carboxylate oxygen atoms. The complexation process of thorium-nicotinate and thorium-isonicotinate are found to be endothermic in nature and are entropy driven confirming the similar binding nature as in simple carboxylate complexes of thorium. The complexation energies, bond lengths and charges on each atom in the complexes of various possible geometries were calculated

Radiation degradation and the consequent decrease in the efficacy of some dilute chemical decontaminant formulations

Energy Technology Data Exchange (ETDEWEB)

Kamal Kishore; Dey, G.R.; Naik, D.B.; Moorthy, P.N. [Applied Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400 085 (India)

1998-12-31

Constituents of dilute chemical decontaminant formulations such as ascorbic acid, EDTA, picolinic acid (PA) and 2,6-pyridine dicarboxylic acid (PDCA), also known as dipicolinic acid, are highly reactive with primary species produced from water radiolysis. Picolinic acid and PDCA however, are less sensitive to radiation dose due to their aromatic nature. They also help in protecting ascorbic acid when in a mixture. The efficacy for dissolution of magnetite was found to reduce drastically on irradiation in the case of EDTA/oxalic acid/citric acid while it was unaffected in the case of picolinic acid/ascorbic acid. In the case of EDTA/ascorbic acid/citric acid or PDCA/ascorbic acid formulations, there was only a marginal effect of radiation on the efficacy of the formulations. (author)

Synergistic Cardioprotective Effects of Combined Chromium Picolinate and Atorvastatin Treatment in Triton X-100-Induced Hyperlipidemia in Rats: Impact on Some Biochemical Markers.

Science.gov (United States)

Shafik, Noha M; Baalash, Amal; Ebeid, Abla M

2017-12-01

Hyperlipidemia is one of the major risk factors for atherosclerosis and ischemic heart disease. Chromium (Cr) mineral is playing a crucial role in glucose and lipid homeostasis. The aim of this study was to evaluate the protective effects of combined chromium picolinate (CrPic) and atorvastatin treatment against hyperlipidemia-induced cardiac injury. Seventy-five male albino rats were divided into five groups (15 rats each). Hyperlipidemia was induced by intraperitoneal injection of a single dose of Triton X-100 (300 mg/kg body weight (b.w) (group ІІ). Treatment of hyperlipidemic rats was induced by daily administration of CrPic at a dose of 200 μg/kg b.w/day (group ІІІ), atorvastatin at a dose of 10 mg/kg/day (group IV), and combined treatment with both (group V) by gavage for 7 days. At the end of experiment, serum and heart tissues were obtained. Hyperlipidemia was confirmed by histopathology of heart tissues, marked serum dyslipidemia, increased atherogenic indices, and values of ischemia-modified albumin. In addition to increased values of proprotein convertase subtilisin/kexin type 9, activity of 3-hydroxy-3-methylglutaryl coenzyme A reductase enzyme and high relative expression levels of pentraxin-3 were observed. However, paraoxonase-1 activity was markedly decreased in the hyperlipidemic group. Significant improvement in all assessed parameters was observed in the rat group treated with both CrPic and atorvastatin. It can be concluded that combined CrPic and atorvastatin treatments had synergistic cardioprotective effects against hyperlipidemia which may be through modulating atherosclerosis as well as cardiac and aortic damage and/or activation of anti-inflammatory and anti-oxidant pathways, thus reversing endothelial dysfunction.

M. tuberculosis induces potent activation of IDO-1, but this is not essential for the immunological control of infection.

Directory of Open Access Journals (Sweden)

Antje Blumenthal

Full Text Available Indoleamine 2,3-dioxygenesae-1 (IDO-1 catalyses the initial, rate-limiting step in tryptophan metabolism, thereby regulating tryptophan availability and the formation of downstream metabolites, including picolinic and quinolinic acid. We found that Mycobacterium tuberculosis infection induced marked upregulation of IDO-1 expression in both human and murine macrophages in vitro and in the lungs of mice following aerosol challenge with M. tuberculosis. The absence of IDO-1 in dendritic cells enhanced the activation of mycobacteria-specific T cells in vitro. Interestingly, IDO-1-deficiency during M. tuberculosis infection in mice was not associated with altered mycobacteria-specific T cell responses in vivo. The bacterial burden of infected organs, pulmonary inflammatory responses, and survival were also comparable in M. tuberculosis-infected IDO-1 deficient and wild type animals. Tryptophan is metabolised into either picolinic acid or quinolinic acid, but only picolinic acid inhibited the growth of M. tuberculosis in vitro. By contrast macrophages infected with pathogenic mycobacteria, produced quinolinic, rather than picolinic acid, which did not reduce M. tuberculosis growth in vitro. Therefore, although M. tuberculosis induces robust expression of IDO-1 and activation of tryptophan metabolism, IDO-1-deficiency fails to impact on the immune control and the outcome of the infection in the mouse model of tuberculosis.

Hexacoordinated mixed-ligand complexes of vanadium(IV) and copper(II)

International Nuclear Information System (INIS)

Islam, M.S.; Motahera Begum; Roy, H.N.; Haroon, S.A.Q.M.

1996-01-01

The literature reports simple complexes of metal ions with Schiff bases derived from amino acids. But their mixed-ligand complexes are very rare. Keeping this fact in mind, some new mixed ligand complexes of V IV and Cu II with tridentate Schiff bases derived from glycine, salicylaldehyde and amino bases, e.g. quinoline (Q), isoquinoline (IQ), 2-picoline (2-pic), 4-picoline (4-pic) and pyridine (Py) were prepared and studied. 6 refs., 1 tab

Study of chemical shifts of the chloroform complexes with cyclic donors of electrons

International Nuclear Information System (INIS)

Blaszkiewicz, B.; Pajak, Z.

1973-01-01

Chemical shifts of chloroform complexes with the heterocyclic electron donors: pyridine, piperidine, alpha-picoline and gamma-picoline have been studied using the high resolution (5.10 -9 ) spectrometer operating at 80 MHz. An attempt has also been made to study the three - component solutions of : chloroform, a heterocyclic donor of electrons and carbon tetrachloride. The results, which have been obtained, indicate that the complex-forming power of pyridine and other electron donors is greater in carbon tetrachloride than in other solvents. (S.B.)

Studies on Th(IV) and Zr(IV) complexes of oxygen donor ligands

International Nuclear Information System (INIS)

Agarwal, R.K.; Srivastava, M.; Srivastava, A.K.

1981-01-01

In recent years a large number of complexes of amine N-oxides with a wide variety of metal salts have been isolated and characterized. Less attention has been paid to the aromatic amine N-oxides complexes with Th(IV) thiocyanate. In the present communication studies are reported on Th(IV) thiocyanate complexes of pyridine N-oxide (PyO), quinoline N-oxide (QO), isoquinoline N-oxide (IsqO), 2-picoline N-oxide (2-picO), 3-picoline N-oxide (3-picO) and 4-picoline N-oxide (4-picO) and comparisons are made with the existing complexes of 2,6-lutidine N-oxide (LNO), 2, 2'bipyridine N-N'-dioxide (BipyO 2 ), mono N-oxides of 2,2'-bipyridine (BipyNO) and 1,10-phenanthroline (PhenNO) and 1, 10-phenanthroline N-N'-dioxide (PhenO 2 ). The analytical data correspond to the composition Th(NCS) 4 .4L. The molar conductance of all the complexes in nitrobenzene in the range 2.5 to 4.5 Ω -1 cm 2 mol -1 indicate them to be non-electrolytes. The results of IR spectroscopy and thermogravimetry are given and discussed. (author)

The influence of different cyclometalated ligand substituents and ancillary ligand on the phosphorescent properties of iridium(III) complexes

Energy Technology Data Exchange (ETDEWEB)

Zhang, Qing; Li, Yuanyuan; Wang, Xin; Wang, Li, E-mail: chemwangl@henu.edu.cn; Zhang, Jinglai, E-mail: zhangjinglai@henu.edu.cn

2016-07-01

Four iridium(III) complexes, (dfpmpy){sub 2}Ir(pic), (1), (dfpmpy){sub 2}Ir(EO{sub 2}-pic) (2), (dfpmpy){sub 2}Ir(pic-N-O) (3), and (dfpmpy){sub 2}Ir(EO{sub 2}-pic-N-O) (4) (dfpmpy = 2-(2,4-difluorophenyl)-4-methylpyridine, pic = picolinic acid, EO{sub 2}-pic = 4-(2-ethoxyethoxy) picolinic acid, pic-N-O = picolinic acid N-oxide, and EO{sub 2}-pic-N-O = 4-(2-ethoxyethoxy) picolinic acid N-oxide) are investigated by means of the density functional theory/time-dependent density functional theory (DFT/TD-DFT) to explore the influence of the ancillary ligand on the electronic structures, phosphorescent properties, and organic light-emitting diode (OLED) performance. Employing pic-N-O and EO{sub 2}-pic-N-O as the ancillary ligands would decrease the vertical energy and result in the red-shifted wavelength. Then, other four iridium(III) complexes (2a-2d) (See Scheme 1) are designed by introduction of the phenyl and −CHO substituents on the pyridine ring and phenyl ring of complex 2, respectively. As compared with complex 2, theoretical results show that newly designed complexes 2a-2c might be potential candidates for blue-emitting phosphors with better/comparable quantum yield and Δλ. Moreover, the performance of complexes 2a and 2c, i.e., introducing phenyl on the para-position of pyridine ring and phenyl ring in dfpmpy ligand, are better than that of 2b. - Highlights: • The structure-property relationship of Ir(III) complexes are investigated. • The effect of different substituents/positions on properties is explored. • Do the emissions follow the Kasha or non-Kasha scenario? • Newly possible blue-emitting Ir(III) complexes are theoretically designed.

Characterization of radionuclide-chelating agent complexes found in low-level radioactive decontamination waste. Literature review

International Nuclear Information System (INIS)

Serne, R.J.; Felmy, A.R.; Cantrell, K.J.; Krupka, K.M.; Campbell, J.A.; Bolton, H. Jr.; Fredrickson, J.K.

1996-03-01

The US Nuclear Regulatory Commission is responsible for regulating the safe land disposal of low-level radioactive wastes that may contain organic chelating agents. Such agents include ethylenediaminetetraacetic acid (EDTA), diethylenetriaminepentaacetic acid (DTPA), picolinic acid, oxalic acid, and citric acid, and can form radionuclide-chelate complexes that may enhance the migration of radionuclides from disposal sites. Data from the available literature indicate that chelates can leach from solidified decontamination wastes in moderate concentration (1--100 ppm) and can potentially complex certain radionuclides in the leachates. In general it appears that both EDTA and DTPA have the potential to mobilize radionuclides from waste disposal sites because such chelates can leach in moderate concentration, form strong radionuclide-chelate complexes, and can be recalcitrant to biodegradation. It also appears that oxalic acid and citric acid will not greatly enhance the mobility of radionuclides from waste disposal sites because these chelates do not appear to leach in high concentration, tend to form relatively weak radionuclide-chelate complexes, and can be readily biodegraded. In the case of picolinic acid, insufficient data are available on adsorption, complexation of key radionuclides (such as the actinides), and biodegradation to make definitive predictions, although the available data indicate that picolinic acid can chelate certain radionuclides in the leachates

Characterization of radionuclide-chelating agent complexes found in low-level radioactive decontamination waste. Literature review

Energy Technology Data Exchange (ETDEWEB)

Serne, R.J.; Felmy, A.R.; Cantrell, K.J.; Krupka, K.M.; Campbell, J.A.; Bolton, H. Jr.; Fredrickson, J.K. [Pacific Northwest National Lab., Richland, WA (United States)

1996-03-01

The US Nuclear Regulatory Commission is responsible for regulating the safe land disposal of low-level radioactive wastes that may contain organic chelating agents. Such agents include ethylenediaminetetraacetic acid (EDTA), diethylenetriaminepentaacetic acid (DTPA), picolinic acid, oxalic acid, and citric acid, and can form radionuclide-chelate complexes that may enhance the migration of radionuclides from disposal sites. Data from the available literature indicate that chelates can leach from solidified decontamination wastes in moderate concentration (1--100 ppm) and can potentially complex certain radionuclides in the leachates. In general it appears that both EDTA and DTPA have the potential to mobilize radionuclides from waste disposal sites because such chelates can leach in moderate concentration, form strong radionuclide-chelate complexes, and can be recalcitrant to biodegradation. It also appears that oxalic acid and citric acid will not greatly enhance the mobility of radionuclides from waste disposal sites because these chelates do not appear to leach in high concentration, tend to form relatively weak radionuclide-chelate complexes, and can be readily biodegraded. In the case of picolinic acid, insufficient data are available on adsorption, complexation of key radionuclides (such as the actinides), and biodegradation to make definitive predictions, although the available data indicate that picolinic acid can chelate certain radionuclides in the leachates.

Spectroscopic investigation on structure (monomer and dimer), molecular characteristics and comparative study on vibrational analysis of picolinic and isonicotinic acids using experimental and theoretical (DFT & IVP) methods

Science.gov (United States)

Ramesh, Gaddam; Reddy, Byru Venkatram

2018-05-01

In this investigation, the monomeric structure is determined for picolinic and isonicotinic acids based on geometry optimization for one of the four possible conformers and intramolecular hydrogen bond of Osbnd H⋯O using density functional theory (DFT) employing B3LYP functional supplemented with 6-311++G(d,p) basis set. Using this optimized monomeric form, the dimer structure is determined based on minimum energy and length of hydrogen bonds obtained for two possible dimeric forms yielded due to head-to-tail intermolecular Osbnd H⋯N hydrogen bond (dimer 1) linkage and tail-to -tail intermolecular Osbnd H⋯O hydrogen bond (dimer 2) linkage between pyridine ring and carboxyl group. The structure parameters obtained for monomer and dimer forms are in good agreement with the experimental literature values. The vibrational assignments have been made unambiguously for all the vibrations from FTIR and FT-Raman spectra based on the potential energy distribution (PED) and eigen vectors obtained in DFT and inverse vibrational problem (IVP) computations. The rms error between the observed and scaled frequencies is 7.7 and 9.4 cm-1 for PIA and INA, respectively. A 74-element modified valence force field is derived by Wilson's GF matrix method using 58 experimental frequencies of the two molecules in overlay least-squares technique. The average error between observed and computed frequencies by this method is calculated to be 10.39 cm-1. The results of both DFT and IVP computations yielded good agreement between observed and calculated frequencies. The NLO behaviour using hyperpolarizability values; and HOMO and LUMO energies; of the two molecules are investigated by DFT. Charge density distribution and site of chemical reactivity of the molecules are studied by molecular electrostatic surface potential (MESP). Stability of the molecules arising from hyper conjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO

Continuous spectroscopic analysis of vanadous and vanadic ions

International Nuclear Information System (INIS)

Bishop, J.V.; Dutcher, R.A.; Fisher, M.S.; Kottle, S.; Stowe, R.A.

1993-10-01

Spectroscopic methods were investigated for the determination of vanadium ions in aqueous solutions arising in the production of vanadium (11) formate and its use in the LOMI (Low Oxidation-state Metal Ion) process for the chemical decontamination of systems in nuclear power plants. In the LOMI process, a dilute solution of vanadous formate and picolinic acid is used. The vanadous formate n reduces metal oxides in the scale on the equipment, causing the scale to break up and become suspended. The picolinic acid chelates these materials and makes them soluble. During the decontamination the progress is followed by analyses of the metal ions and of the radioactivity. When the values stop increasing, the decontamination is terminated. At present, it cannot be determined if the values are no longer changing due to all the scale being removed or due to the vanadous ion being spent. Infrared and ultraviolet-visible analysis were investigated as the means of analyzing for vanadium species. It was found that the complex formed by V(II) with picolinic acid could be used for colorimetric analysis for V(II) in the range of 0 - 0.011 moles/liter, which encompasses the concentration range used in the LOMI process. The findings will be used to develop an on-line instrument for continuously monitoring V(II) during decontamination

Studies on bismuth carboxylates—synthesis and characterization of ...

Indian Academy of Sciences (India)

crystalline modification (4 ) of the previously reported coordination polymer, bismuth tris(picolinate), [Bi(2– .... no significant change in the IR spectrum or the melting behaviour between 4 .... lens et al.7 There are moderate differences in the.

Half-sandwich pentamethylcyclopentadienyl group 9 metal ...

Indian Academy of Sciences (India)

453 and LS-174) revealed low anti-proliferative activity. Replacement of substituted pyridine ligand in complexes such as picolinic acid exhibits better DNA binding affinity and cytotoxicity.7–10. Till now, a few reports are available for metal com-.

Synthesis, structures and variable temperature mag

Indian Academy of Sciences (India)

obtained by taking into account the energy of two diffe- rent spin ... E is the energy difference between broken symmetry singlet state (ES(BS)) and quintet state (EQ). The hybrid B3LYP ..... oxygen-atom (O4) of one picolinate while this coordi-.

Effect of chromium supplementation on glycated hemoglobin and fasting plasma glucose in patients with diabetes mellitus.

Science.gov (United States)

Yin, Raynold V; Phung, Olivia J

2015-02-13

Chromium (Cr) is a trace element involved in glucose homeostasis. We aim to evaluate and quantify the effects of Cr supplementation on A1C and FPG in patients with T2DM. A systematic literature search of Pubmed, EMBASE and the Cochrane Library (from database inception to 11/2014) with no language restrictions sought RCTs or cohort studies evaluating Cr supplementation in T2DM vs control and reporting either change in glycated hemoglobin (A1C) or fasting plasma glucose (FPG). Meta-analysis was conducted on each subtype of Cr supplement separately, and was analyzed by random effects model to yield the weighted mean differences (WMD) and 95% confidence intervals (CIs). Heterogeneity was assessed by using the I(2) statistic. A total of 14 RCTs (n=875 participants, mean age range: 30 to 83 years old, 8 to 24 weeks of follow-up) were identified (Cr chloride: n=3 study, Cr picolinate: n=5 study, brewer's yeast: n=4 study and Cr yeast: n=3 study). Compared with placebo, Cr yeast, brewer's yeast and Cr picolinate did not show statistically significant effects on A1C. Furthermore, compared to control, Cr chloride, Cr yeast and Cr picolinate showed no effect on FPG, however, brewer's yeast showed a statistically significant decrease in FPG -19.23 mg/dL (95% CI=-35.30 to -3.16, I(2)=21%, n=137). Cr supplementation with brewer's yeast may provide marginal benefits in lowering FPG in patients with T2DM compared to placebo however it did not have any effect on A1C.

Determination of fusaric acid in maize using molecularly imprinted SPE clean-up

Science.gov (United States)

A new liquid chromatography method to detect fusaric acid in maize is reported based on molecularly imprinted polymer solid phase extraction clean-up (MISPE) using mimic-templated molecularly-imprinted polymers. Picolinic acid was used as a toxin analog for imprinting polymers during a thermolytic s...

Mixed-Ligand Complexes Of Nickel (II) With 2-Acetylpyridine ...

African Journals Online (AJOL)

The preparation and spectral properties of five nickel (II) mixed-ligands complexes (Ni [2-Actsc.Y]CI2), derived from 2-acetylpyridinethiosermicarbazones and some nitrogen/sulphur monodentate ligands such as thiophene, ammonia, picoline, pyridine and aniline are described. The complexes have been characterized on ...

In vitro metabolism and permeation studies in rat jejunum

DEFF Research Database (Denmark)

Gammelgaard, Bente; Jensen, K; Steffansen, B

1999-01-01

The purpose of these studies was to compare the in vitro absorption of two inorganic chromium(III) compounds: chromium chloride and chromium nitrate, with organic chromium(III)-picolinate; and to investigate if any in vitro metabolism of chromium(VI) takes place. The in vitro metabolism studies...

PICOLINIC ACID PROMOTED OXIDATIVE DECARBOXYLATION OF ...

African Journals Online (AJOL)

enthalpy of activation, ∆H≠ calculated for the PA promoted Cr(VI) reaction of PSAA are. -112.38 ± 6.6 J K-1 mol-1 and 53.17 ± 1.9 KJ mol-1 respectively .... neutralization of positive charge on sulfur atom as a result of ligand coupling with oxygen atom. Such a ligand coupling pathway has already been suggested by the ...

Synthesis and structural studies of half-sandwich Cp* rhodium and ...

Indian Academy of Sciences (India)

A series of Cp*Rh and Cp*Ir complexes of various nitrogen and oxygen donor ligands were synthesized and characterized. Mono, bi and tetradentate ligands were used to synthesize mononuclear and dinuclear complexes. Schiff base derivatives of picolinic hydrazine and 5-aminoquinoline were used in thesynthesis of ...

Browse Title Index

African Journals Online (AJOL)

Items 101 - 142 of 142 ... Vol 5 (2000), Reactions of 4-picoline with trimethyltin carboxylates ... fuchsin by dithionite ion in aqueous hydrochloric acid, Abstract PDF ... Vol 11 (2006), Synthesis of Di -Acyl Triazene – N – Oxide, Abstract PDF. M O Edema, S I Onyeka. Vol 19 (2014), Synthesis of Nano-Light Magnesium Hydride for ...

Effects of chromium supplementation on growth, nutrient digestibility ...

African Journals Online (AJOL)

The aim of the study was to evaluate the effects of chromium picolinate (CrPic) on growth performance, nutrient digestibility, and protein and lipid quality of five anatomical parts in growing pigs. The 30-day study was conducted on eight castrated Topigs growing male pigs, with an initial bodyweight of 17.16 ± 0.62 kg.

In vitro activity of 2-pyridinecarboxylic acid against trypanosomes of the subgenus Schizotrypanum isolated from the bat Phyllostomus hastatus = Atividade in vitro do ácido 2-piridinocarboxílico em tripanossoma do subgênero Schizotrypanum isolado do morcego Phyllostomus hastatus

Directory of Open Access Journals (Sweden)

Paulo Roberto Ceridóreo Corrêa

2011-09-01

Full Text Available The effect of 2-pyridinecarboxylic acid (picolinic acid on trypanosomes of the subgenus Schizotrypanum isolated from the bat Phyllostomus hastatus was determined in this study. Picolinic acid, at 50 ƒÊg mL-1, inhibited epimastigote growth by 99% after 12 days incubation. In addition, trypomastigote motility decreased by 50% after 6h and completely after 24h in the presence of 50 ƒÊg mL-1 picolinic acid. The 50% cytotoxic concentration on HEp-2 cell line was275 ƒÊg mL-1 after 4 days incubation. Altogether, these results indicate higher toxicity against trypanosomes. The inhibitory effect of picolinic acid on epimastigote growth can be partially reversed by nicotinic acid and L-tryptophan, suggesting a competitive inhibition. Furthermore, two anti-Trypanosoma (Schizotrypanum cruzi drugs were also evaluated with regard to bat trypanosome growth. Benznidazole, at 50 ƒÊg mL-1, inhibited epimastigote growth by 90% after 12 days incubation. Nifurtimox, at the same concentration, caused 96% growth inhibition after four days incubation. Corroborating a previous study, bat trypanosomes are a good model for screening new trypanocidal compounds. Moreover, they can be used to study many biological processes common to human pathogenic trypanosomatids.O efeito do acido 2- piridinocarboxilico (acido picolinico sobre um tripanossoma do subgenero Schizotrypanum isolado do morcego Phyllostomus hastatus foi determinado neste estudo. O acido picolinico, na concentracao de 50 ƒÊg mL-1, inibiu 99% do crescimento de epimastigotas apos 12 dias de incubacao. Alem disso, houve um decrescimo de 50 e 100% na mobilidade dos tripomastigotas apos 6 e 24h, respectivamente, em presenca de acido picolinico na concentracao de 50 ƒÊg mL-1. A concentracao citotoxica 50% para celulas HEp-2 foi de 275 ƒÊg mL-1 apos quatro dias de incubacao. Esses resultados indicam maior toxicidade contra os tripanossomas. O efeito inibitoriodo acido picolinico sobre o crescimento de

Comparative study of the addition compounds between lanthanides methane sulfonates (III) and aromatic amino-oxides as ligands

International Nuclear Information System (INIS)

Rosario Matos, J. do.

1989-01-01

The main goal of this thesis is to further develop the studies on the preparation and characterization of addition compounds obtained from the reaction of lanthanide methane sulfonates and aromatic amino oxides as ligands, pyridine-N-oxides as the picoline-N-oxides (2-pic NO, 3-pic NO and 4-picNO) in order to make a comparative study. (author)

Complexes of vanadium (V) oxotrichloride with amides and tertiary amines

International Nuclear Information System (INIS)

Paul, R.C.; Sharma, N.C.; Sahi, Y.P.; Chadha, S.L.; Sharma, A.K.

1975-01-01

Vanadium(V) oxotrichloride forms dark brown hygroscopic solid complexes of the composition VOCl 3 .3B and VOCl 3 .2B' where B represents pyridine, α-, β-, and γ-picolines, quinoline, isoquinoline, urea, N-methylformamide or acetanilide while B' represents N, N'-dimethylformamide, N-methylacetamide or dimethylacetamide. These complexes have been characterized on the basis of their analytical and IR spectral data. (author)

Investigation of tautomeric transformations of adducts of 7,8-dicarba-nido-undecaborana(11) with derivatives of pyridine by 11B NMR spectroscopy method

International Nuclear Information System (INIS)

Volkov, O.V.; Il'inchik, E.A.; Volkov, V.V.

1999-01-01

Tautomeric transformations are investigated in solutions of o-carborane(12) derivatives 7,8-C 2 B 9 H 11 ·Py(X), where Py(X)=4-picoline (4-CH 3 -C 5 H 4 N), 3-picoline (3-CH 3 -C 5 H 4 N), 4-stilbazol (4-C 6 H 5 -C 2 H 2 -C 5 H 4 N), 3-bromopyridine (3-Br-C 5 H 4 N) and 7,8-C 2 B 9 H 10 I·C 5 H 5 N. Uncovered tautomeric transformations are bound with migration of bridge hydrogen of C 2 B 9 H 11 cluster assisting in structure of these compounds. Signal of boron nuclei in 11 B NMR spectra is observed in the region of high field of spectrum if the nearest two atoms of boron are bounded by bridge hydrogen additionally. That permits to fix happening dynamic structural transformations of adducts investigated. The dependence of tautomeric equilibrium on nature of substituents introduced in heterocyclic ligand and carborane cluster. Increase of electron-acceptor properties of substituent induces displacement of equilibrium in the direction of tautomer bridge hydrogen in which is removed from boron atom bounded with substituent [ru

Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure

Science.gov (United States)

2014-01-27

obtained , some caution is required since 14 of these exhibited no observable melting or glass transitions which might be a result of the hygroscopic...Fuels 01-27-14 23 short ignition delays and lower viscosities ( alkene ) or higher densities (N-N) should be considered further. The development of...Experimental Materials and Methods . 1-methylimidazole, 3-picoline, pyridine, 1-chlorobutane, 1- bromobutane, allyl chloride, and 1-chloro-2

Evaluation of destructive methods for managing decontamination wastes

International Nuclear Information System (INIS)

Piciulo, P.L.; Adams, J.W.

1986-01-01

Results are discussed of a laboratory evaluation of destructive methods for processing chemical decontamination wastes. Incineration, acid digestion and wet-air oxidation are capable of degrading decontamination reagents and organic ion-exchange resins. The extent of destruction as a function of operating parameters was waste specific. The reagents used in the testing were: EDTA, oxalic acid, citric acid, picolinic acid and LND-101A

Thermodynamic study of complexation of thorium with pyridine monocarboxylates by calorimetry and DFT calculations

International Nuclear Information System (INIS)

Rama Mohana Rao, D.; Rawat, Neetika; Sawant, R.M.; Tomar, B.S.; Manna, D.; Ghanty, T.K.

2013-01-01

Stability constants of Th(IV) complexes with pyridine mono-carboxylates, namely, picolinate, nicotinate and isonicotinate have been determined following potentiometric titration of the metal ion and ligand mixtures with NaOH solution of known concentration. These data were used during the analysis of the calorimetric titration data to obtain the enthalpy of complexation reactions. The experimental data have been compared with that obtained from the DFT based theoretical calculations. (author)

Energetics and rearrangements of the isomeric picoline dications

Czech Academy of Sciences Publication Activity Database

Ducháčková, L.; Jašík, J.; Žabka, Ján; Ascenzi, D.; Zins, Emilie-Laure; Schröder, Detlef; Price, S.D.; Alcaraz, Ch.; Roithová, J.

2011-01-01

Roč. 308, č. 1 (2011), s. 81-88 ISSN 1387-3806 R&D Projects: GA ČR GA203/09/1223 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40550506 Keywords : collision induced dissociation * dehydrogenation * DFT calculation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.549, year: 2011

The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides

Directory of Open Access Journals (Sweden)

Drmanić Saša Ž.

2013-01-01

Full Text Available The ultraviolet absorption spectra of the carboxyl group of three isomeric pyridine carboxylic acids N-oxides (picolinic acid N-oxide, nicotinic acid N-oxide and isonicotinic acid N-oxide were determined in fourteen solvents in the wavelength range from 200 to 400 nm. The position of the absorption maxima (λmax of the examined acids showed that the ultraviolet absorption maximum wavelengths of picolinic acid N-oxide are the shortest, and those of isonicotinic acid N-oxide acid are the longest. In order to analyze the solvent effect on the obtained absorption spectra, the ultraviolet absorption frequencies of the electronic transitions in the carboxylic group of the examined acids were correlated using a total solvatochromic equation of the form max = v0 + sπ + aα+ bβ, where υmax is the absorption frequency (1/λmax, p is a measure of the solvent polarity, β represents the scale of solvent hydrogen bond acceptor basicities and α represent the scale of solvent hydrogen bond donor acidities. The correlation of the spectroscopic data was carried out by means of multiple linear regression analysis. The solvent effects on the ultraviolet absorption maximums of the examined acids were discussed.

The Design, Synthesis and Screening of Potential Pyridinium Oxime Prodrugs.

Science.gov (United States)

1985-07-31

copper sulfate pentahydrate , and 15 g (87 mol) of the mixture of bromo- picolines 13c and 131. The combined reactions produced 27 g (96%) of a brown...extracted with ethyl ether. The ether extracts were washed with brine, dried with sodium sulfate , filtered and flashed. The residue was then purified by...stirring to the reaction mix. The addition was exothermic as the copper complexes decomposed. The cooled mixture was extracted with several 20 ml

Study of some properties of the ruthenium (II) trans-tetra-ammines with nitrogened aromatic heterocyclic ligands

International Nuclear Information System (INIS)

Bento, M.L.

1985-01-01

The ruthenium (II) complexes trans [Ru(NH 3 ) 4 LL'] (BF 4 ) 2 , where L and L' are 4-picoline, pyridine, isonicatinamide, pyrazine or 4-acetylpyridine are studied. The U.V-visible range spectra, bands in the U.V. and in the visible range is analysed. The spectra and the bands by comparison with other ruthenium (II) ammines are discussed, and a qualitative molecular orbital model is used. (M.J.C.) [pt

Luminescent materials based on Tb, Eu-containing layered double hydroxides

International Nuclear Information System (INIS)

Zhuravleva, N.G.; Eliseev, A.A.; Lukashin, A.V.; Kinast, U.; Tret'yakov, Yu.D.

2004-01-01

Luminescent materials on the basis of magnesium-aluminium layered double hydroxides with intercalated anionic complexes of terbium and europium picolinates were synthesized. Relying on data of spectroscopy, elementary and X-ray phase analyses, the change in the rare earth complex structure and metal/ligand ratio, depending on the hydroxide layer charge, determined by Mg/Al ratio in the double hydroxide, were ascertained. The values of quantum yields of luminescence for terbium-containing samples amounted to 30-50% [ru

Polymetallic lanthanide (III) complexes for the design of new luminescent materials

International Nuclear Information System (INIS)

Marchal, C.

2008-09-01

The incorporation of f elements in highly organized polymetallic complexes is of great interest in supramolecular chemistry and allows the combination of their nano-scopic size with the magnetic or optical properties of the metal ions. However due to the difficulty in controlling the coordination environment of these ions, the assembly of lanthanide-based polynuclear architectures has lagged behind that of other systems. These factors make the rational design for the construction of supramolecular lanthanide complexes quite challenging. In order to better understand the factors determining the assembly of lanthanide-based polymetallic arrays, we designed two different types of organic ligands, which favor, in one case, formation of infinite polymetallic complexes (coordination polymers), and in the case the assembly of discrete polymetallic architectures. Thus, we show that the use of flexible and multi-dentate picolinate-derivative ligands enables the formation of infinite and luminescent infinite frameworks which display very interesting luminescent properties. Geometry of the ligand has a great influence on the final network architecture. Particularly, implementation of four picolinate units within a tetrapodal ligand results in the controlled assembly of 1-D coordination polymers. Conversely to favor the controlled assembly of discrete polymetallic arrays we use dissymmetric ligands which displays low denticity. Complexation studies of a tridentate 8- hydroxyquinoline-derivative ligand as well as a tetradentate ligand possessing an oxazoline ring are presented. (author)

Pulse radiolysis of pyridinecarboxylic acids in aqueous solution

DEFF Research Database (Denmark)

Solar, S.; Getoff, N.; Sehested, K.

1991-01-01

The reactivity of OH, e(aq)- and H radicals towards aqueous carboxypyridines: picolinic acid (2-pyridinecarboxylic acid), PA; isonicotinic acid (4-pyridinecarboxylic acid), i-NA; 2,6-pyridinedicarboxylic acid, 2,6-PDCA; and 3,5-pyridinedicarboxylic acid, 3,5-PDCA was investigated in the pH-range 1...... radical are: 20% for PA, 75% for i-NA, 60% for 2,6-PDCA and 25% for 3,5-PDCA (a yield of 50% has been found earlier for nicotinic acid, NA)....

Microwave-assisted synthesis of α-aryl malonates: Key intermediates for the

Directory of Open Access Journals (Sweden)

Mohamed A. Ibrahim

2016-11-01

Full Text Available We disclose a new microwave-assisted protocol for the effective α-arylation of diethyl malonate. The coupling of aryl halides with diethyl malonate proceeds smoothly in short reaction time in the presence of a catalytic amount of Cu(OTf2, 2-picolinic acid and Cs2CO3 in toluene using microwave irradiation. The resulting α-aryl malonates are then used as key intermediates for synthesis of variety of heterocyclic compounds, including benzodiazepines, isoquinolines and pyrrolopyridine scaffolds.

Electrocatalytic oxidations of pyridine derivatives using Ru(IV) poly pyridine complex

International Nuclear Information System (INIS)

Oliveira, S.M. de.

1989-01-01

The oxidation reactions electro catalysed by bi pyridine oxo tri pyridine ruthenium perchlorate metallic complex from selected organic substrates are studied. The obtained results are compared with forecasting results showing the coherence of suggested mechanism. The substrates 2-, 2- and 4- picolines with its respective 1-oxides and 1,2 -; 1,3 - and 1,4 - dimethyl pyridine chloride salts were analysed. The oxidation of toluene as reference substrate was also studied and the mass spectra of oxidation products were interpreted. (M.C.K.)

The crystal structures of two novel cadmium-picolinic acid ...

African Journals Online (AJOL)

NICO

2010-12-07

hydrogen atoms were first refined isotropically followed by anisotropic refinement by full matrix least- squares calculations based on F2 using SHELX-97.10. All hydrogen atoms were positioned geometrically and allowed to ride ...

Rare earth(III) complexes for the development of new magnetic and luminescent probes

International Nuclear Information System (INIS)

Nonat, A.

2007-10-01

The simultaneous optimisation of the molecular parameters determining the relaxivity (number of coordinated water molecules, water-exchange, rotation dynamics of the whole complex, electronic relaxation, Gd(III)-proton distance) is essential to prepare efficient contrast agents. The aim of this work is on the one hand to design and study complexes with a high number of bound water molecules and to understand the influence of the coordination sphere on the stability and on the electronic relaxation and on the other hand, to use the ligand as a chromophore for the development of luminescent probes for biomedical imaging. We present the structure, the stability and the relaxivity of Gd(III) complexes of two series of tripodal ligands containing picolinate units based either on the 1,4,7-tri-aza-cyclononane ring or on a tertiary amine. These complexes show high relaxivity in water and in serum and can establish a non covalent interaction with serum albumin. The interpretation of the water proton relaxivity with the help of new relaxometric methods based on an auxiliary probe solute has allowed us to show that both the presence of the picolinate groups and the 1,4,7-tri-aza-cyclononane framework can lead to Gd(III) complexes with favourable electronic relaxation properties. This ligands have also been used for Eu(III) and Tb(III) complexation leading to strong luminescence in visible light. Other complexes derived from 8-hydroxyquinoline unit which display a very high luminescence in infrared are also studied. (author)

Rare earth(III) complexes for the development of new magnetic and luminescent probes; Complexes de lanthanides(III) pour le developpement de nouvelles sondes magnetiques et luminescentes

Energy Technology Data Exchange (ETDEWEB)

Nonat, A

2007-10-15

The simultaneous optimisation of the molecular parameters determining the relaxivity (number of coordinated water molecules, water-exchange, rotation dynamics of the whole complex, electronic relaxation, Gd(III)-proton distance) is essential to prepare efficient contrast agents. The aim of this work is on the one hand to design and study complexes with a high number of bound water molecules and to understand the influence of the coordination sphere on the stability and on the electronic relaxation and on the other hand, to use the ligand as a chromophore for the development of luminescent probes for biomedical imaging. We present the structure, the stability and the relaxivity of Gd(III) complexes of two series of tripodal ligands containing picolinate units based either on the 1,4,7-tri-aza-cyclononane ring or on a tertiary amine. These complexes show high relaxivity in water and in serum and can establish a non covalent interaction with serum albumin. The interpretation of the water proton relaxivity with the help of new relaxometric methods based on an auxiliary probe solute has allowed us to show that both the presence of the picolinate groups and the 1,4,7-tri-aza-cyclononane framework can lead to Gd(III) complexes with favourable electronic relaxation properties. This ligands have also been used for Eu(III) and Tb(III) complexation leading to strong luminescence in visible light. Other complexes derived from 8-hydroxyquinoline unit which display a very high luminescence in infrared are also studied. (author)

Complexing properties of amide oxime of picolinic acid (APA). 1

International Nuclear Information System (INIS)

Oginski, M.; Zommer-Urbanska, S.; Joachimiak, J.; Koniarek, B.

1983-01-01

As a result of APA labelling with /sup 99m/Tc reduced by SnCl 2 at pH 1.9 about 90% of the /sup 99m/Tc-APA complex was obtained. Experiments in vivo were carried out on 10 Swiss mice with implanted Ehrlich tumor. After 8 days the /sup 99m/Tc-APA complex was administered i.p. The ADF ratio tumor:blood was 2.5. Renoscintigraphy showed that the decline of renal activity in the stage when excretion prevailed (phase III) was slow and of the cumulative nature. Simple synthesis, labelling and low toxity of APA are the factors that advocate further experiments in investigating its usefulness for diagnostics. (author)

Characterization of inhibitory effects of the potential therapeutic inhibitors, benzoic acid and pyridine derivatives, on the monophenolase and diphenolase activities of tyrosinase.

Science.gov (United States)

Gheibi, Nematollah; Taherkhani, Negar; Ahmadi, Abolfazl; Haghbeen, Kamahldin; Ilghari, Dariush

2015-02-01

Involvement of tyrosinase in the synthesis of melanin and cell signaling pathway has made it an attractive target in the search for therapeutic inhibitors for treatment of different skin hyperpigmentation disorders and melanoma cancers. In the present study, we conducted a comprehensive kinetic analysis to understand the mechanisms of inhibition imposed by 2-amino benzoic acid, 4-amino benzoic acid, nicotinic acid, and picolinic acid on the monophenolase and diphenolase activities of the mushroom tyrosinase, and then MTT assay was exploited to evaluate their toxicity on the melanoma cells. Kinetic analysis revealed that nicotinic acid and picolinic acid competitively restricted the monophenolase activity with inhibition constants (Ki) of 1.21 mM and 1.97 mM and the diphenolase activity with Kis of 2.4 mM and 2.93 mM, respectively. 2-aminobenzoic acid and 4-aminobenzoic acid inhibited the monophenolase activity in a non-competitive fashion with Kis of 5.15 µM and 3.8 µM and the diphenolase activity with Kis of 4.72 µM and 20 µM, respectively. Our cell-based data revealed that only the pyridine derivatives imposed cytotoxicity in melanoma cells. Importantly, the concentrations of the inhibitors leading to 50% decrease in the cell density (IC50) were comparable to those causing 50% drop in the enzyme activity, implying that the observed cytotoxicity is highly likely due to the tyrosinase inhibition. Moreover, our cell-based data exhibited that the pyridine derivatives acted as anti-proliferative agents, perhaps inducing cytotoxicity in the melanoma cells through inhibition of the tyrosinase activities.

Characterization of a trinuclear ruthenium species in catalytic water oxidation by Ru(bda)(pic)2 in neutral media.

Science.gov (United States)

Zhang, Biaobiao; Li, Fei; Zhang, Rong; Ma, Chengbing; Chen, Lin; Sun, Licheng

2016-06-30

A Ru(III)-O-Ru(IV)-O-Ru(III) type trinuclear species was crystallographically characterized in water oxidation by Ru(bda)(pic)2 (H2bda = 2,2'-bipyridine-6,6'-dicarboxylic acid; pic = 4-picoline) under neutral conditions. The formation of a ruthenium trimer due to the reaction of Ru(IV)[double bond, length as m-dash]O with Ru(II)-OH2 was fully confirmed by chemical, electrochemical and photochemical methods. Since the oxidation of the trimer was proposed to lead to catalyst decomposition, the photocatalytic water oxidation activity was rationally improved by the suppression of the formation of the trimer.

Crystal and molecular structure of three molybdenum (6) dioxocomplexes with heterocyclic hydrazones

International Nuclear Information System (INIS)

Ilyukhin, A.B.; Sergienko, V.S.

1994-01-01

The X-ray diffraction investigation into three Mo(6) dioxocomplexes with heterocyclic hydrazones has been made. In all compounds the Mo atom has a deformed octahedral coordination by two O atoms of cis-dioxogroups, N atoms (azomethane), N (heterocyclie), O (phenol) of tridentate organic ligand. Sixth position in Mo coordination octahedron is due to O atom of methanol solvated molecule in the 1,3 structures or N atom of γ-picoline molecule in the 2 structure. The packing of structural units in the crystals of the 1-3 compounds is under consideration. 12 refs., 5 figs., 3 tabs

Ruthenium(II) chloro-bis(bipyridyl) complexes with substituted pyridine ligands: interpretation of their electronic absorption spectra

International Nuclear Information System (INIS)

Sizova, O.V.; Ershov, A.Yu.; Ivanova, N.V.; Shashko, A.D.; Kutejkina-Teplyakova, A.V.

2003-01-01

A number of complexes cis-[Ru(Bipy) 2 (L)(Cl)](BF 4 ), where Bipy-2,2'-bipyridine, L-pyridine, 4-aminopyridine, 4-picoline, nicotinamide, isonicotinamide, 3- and 4-cyanopyridine, 4,4'-bipyridine, trans-1,2-bis(4-pyridyl)ethylene, 4,4'-azopyridine, pyrazine, imidazole and NH 3 , were prepared. Using the CINDO-CI semiempirical method the energies and intensities of transition in electronic absorption spectra (EAS) of the complexes were calculated. It is shown that major differences in EAS of the compounds stem from position of transitions with charge transfer d π (Ru)→π*(L) [ru

Some oxozirconium(IV) compounds

Energy Technology Data Exchange (ETDEWEB)

Paul, R C; Gupta, S K; Parmar, S S; Vasisht, S K [Punjab Univ., Chandigarh (India). Dept. of Chemistry

1976-01-01

Some new oxozirconium(IV) complexes, ZrO(An)/sub 2/, ZrO(Gly)/sub 2/, ZrO(HSal)/sub 2/, ZrO(HPth)/sub 2/, ZrO(Pic)/sub 2/(HPic)/sub 2/, and ZrO(Quin)/sub 2/(HQuin)/sub 2/ have been isolated from the reactions of ZrO(CH/sub 3/COO)/sub 2/CH/sub 3/COOH with anthranilic acid (HAn), glycine (HGly), salicylic acid (H/sub 2/Sal), phthalic acid (H/sub 2/Pth), picolinic acid (HPic), and 8-quinolinol (HQuin) respectively. Their important infrared bands and wherever possible molar conductance and molecular weight have been reported.

Synthesis, crystal structures and luminescence properties of new multi-component co-crystals of isostructural Co(II) and Zn(II) complexes

Science.gov (United States)

Tella, Adedibu C.; Owalude, Samson O.; Omotoso, Mary F.; Olatunji, Sunday J.; Ogunlaja, Adeniyi S.; Alimi, Lukman O.; Popoola, Olugbenga K.; Bourne, Susan A.

2018-04-01

Two novel isostructural compounds containing multi-component co-crystals [M(C6H4NO2)2(H2O)2](C9H6O6)2 (M = Co (1), Zn (2), C6H4NO2 = Picolinic acid, C9H6O6 = Trimesic acid) have been synthesized. The compounds were characterized by elemental analysis, FT-IR, UV-Visible and 1H NMR spectroscopies as well as thermal and single crystal X-ray diffraction analyses. Single crystal X-ray diffraction analysis reveals that 1 and 2 are isostructural. Compound 1 crystallizes in triclinic space group (P-1, with a = 5.154 (10) Å, b = 11.125 (2) Å, c = 14.113 (3) Å, α = 91.01 (3)°, β = 100.54 (3)°, and γ = 102.71 (3)°). In a similar fashion, compound 2 crystallizes in triclinic space group (P-1, with a = 5.1735 (3) Å, b = 11.0930 (10) Å, c = 14.1554 (8) Å, α = 91.70 (3)°, β = 100.26 (3)°, γ = 102.90 (3)°). The metal (II) cation presents distorted MN2O4 octahedral geometry with H2O molecules coordinated to the metal in equatorial position while the picolinic acid molecules are axially coordinated through the pyridine N atom. The two trimesic acid molecules are not part of the first coordination sphere. Compounds 1 and 2 constitute an example of a class of coordination compound of multicomponent crystals having trimesic acid outside the coordination sphere where it is neither protonated or deprotonated. The two compounds were investigated for luminiscence properties.

Synthesis and Characterization of Fe0 (2,2'-bipyridine) (2-aminoethyl-pyridine) and its Reaction with Dihydrogen.

Science.gov (United States)

Dibenedetto, Angela; Roth, Cristina E; Aresta, Michele; Pápai, Imre

2017-01-10

Fe 0 (bpy)(pyea) (2; bpy=2,2'-bipyridine, pyea=2-aminoethyl-pyridine), a 16-electron species, was synthesized by reduction of FeCl 2 (bpy)(pyea) (1) using Na-strips. It is a diamagnetic low-melting solid (m.p. 295 K) stable under N 2 and easily decomposed by radiations even at low temperature. It was fully characterized by elemental analyses and multinuclear NMR. Complex 2 acts as an active hydrogenation catalyst, but has a very short lifetime. In fact, it reacts with H 2 (0.1-1 MPa) at room temperature in toluene and affords in a few minutes a new Fe 0 complex characterized as Fe 0 (bpy)(η 6 -picoline) (3), inactive to hydrogenation. Picoline is derived from the sp 3 -sp 3 C-C bond cleavage of the aminoethyl arm of the pyea ligand. The rapid evolution of the putative intermediate FeH 2 (bpy)(pyea) (4) has not allowed the isolation such Fe-hydrido species. The interaction of H 2 with 2 has been studied by DFT, which has allowed to demonstrate that 3 is lower in energy than 2+H 2 , justifying the fact that the intermediate dihydride was not isolated. Interestingly, 3 was also obtained by reaction of 1 with NaBH 4 or with glycerol-KOH. Complex 2 is one of the rare examples of Fe 0 complex stabilized by a set of only N-donor atoms. The reaction with glycerol confirms the potential role of Fe in catalytic hydrogenation reactions using bio-glycerol as a H-source. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of inhibitory effects of the potential therapeutic inhibitors, benzoic acid and pyridine derivatives, on the monophenolase and diphenolase activities of tyrosinase

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Nematollah Gheibi

2015-02-01

Full Text Available Objective(s:Involvement of tyrosinase in the synthesis of melanin and cell signaling pathway has made it an attractive target in the search for therapeutic inhibitors for treatment of different skin hyperpigmentation disorders and melanoma cancers. Materials and Methods: In the present study, we conducted a comprehensive kinetic analysis to understand the mechanisms of inhibition imposed by 2-amino benzoic acid, 4-amino benzoic acid, nicotinic acid, and picolinic acid on the monophenolase and diphenolase activities of the mushroom tyrosinase, and then MTT assay was exploited to evaluate their toxicity on the melanoma cells. Results: Kinetic analysis revealed that nicotinic acid and picolinic acid competitively restricted the monophenolase activity with inhibition constants (Ki of 1.21 mM and 1.97 mM and the diphenolase activity with Kis of 2.4 mM and 2.93 mM, respectively. 2-aminobenzoic acid and 4-aminobenzoic acid inhibited the monophenolase activity in a non-competitive fashion with Kis of 5.15 µM and 3.8 µM and the diphenolase activity with Kis of 4.72 µM and 20 µM, respectively. Conclusion: Our cell-based data revealed that only the pyridine derivatives imposed cytotoxicity in melanoma cells. Importantly, the concentrations of the inhibitors leading to 50% decrease in the cell density (IC50 werecomparable to those causing 50% drop in the enzyme activity, implying that the observed cytotoxicity is highly likely due to the tyrosinase inhibition. Moreover, our cell-based data exhibited that the pyridine derivatives acted as anti-proliferative agents, perhaps inducing cytotoxicity in the melanoma cells through inhibition of the tyrosinase activities.

Scope and Limitations of Auxiliary-Assisted, Palladium-Catalyzed Arylation and Alkylation of sp2 and sp3 C-H Bonds

Science.gov (United States)

Nadres, Enrico T.; Santos, Gerson Ivan Franco; Shabashov, Dmitry; Daugulis, Olafs

2013-01-01

The scope of palladium-catalyzed, auxiliary-assisted direct arylation and alkylation of sp2 and sp3 C-H bonds of amine and carboxylic acid derivatives has been investigated. The method employs a palladium acetate catalyst, substrate, aryl, alkyl, benzyl, or allyl halide, and inorganic base in t-amyl alcohol or water solvent at 100-140 °C. Aryl and alkyl iodides as well as benzyl and allyl bromides are competent reagents in this transformation. Picolinic acid auxiliary is used for amine γ-functionalization and 8-aminoquinoline auxiliary is used for carboxylic acid β-functionalization. Some optimization of base, additives, and solvent is required for achieving best results. PMID:24090404

Far IR spectra of Th(IV) halide complexes of some heterocyclic bases

International Nuclear Information System (INIS)

Srivastava, A.K.; Agarwal, R.K.; Srivastava, M.; Kapoor, V.; Srivastava, T.N.

1981-01-01

The synthesis and IR spectra of Th(IV) perchlorato, nitrato and thiocyanato complexes of some heterocyclic bases have been reported. Halogens are common ligands in coordination chemistry forming coordinate bonds with metals readily. Metal halogen (M-X) stretching bands show a strong absorption in the far-IR region. Very little information is available on Th-X stretching frequencies. In the present communication, adducts of Th(IV) halide with certain nitrogen heterocyclic bases such as pyridine, α-picoline, 2-amino pyridine, 2:4-lutidine, 2:6-lutidine, quinoline, 2,2'-bipyridine and 1,10-phenanthroline were synthesised and characterised. Experimental details are given. Results are presented and discussed. (author)

Investigating the continuous synthesis of a nicotinonitrile precursor to nevirapine

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Ashley R. Longstreet

2013-11-01

Full Text Available 2-Chloro-3-amino-4-picoline (CAPIC is a strategic building block for the preparation of nevirapine, a widely-prescribed non-nucleosidic reverse transcriptase inhibitor for the treatment of HIV-infected patients. A continuous synthesis to the bromo derivative of a CAPIC intermediate, 2-bromo-4-methylnicotinonitrile, that terminates in a dead-end crystallization is described. The route uses inexpensive, acyclic commodity-based raw materials and has the potential to enable lower cost production of nevirapine as well as other value added structures that contain complex pyridines. The route terminates in a batch crystallization yielding high purity CAPIC. This outcome is expected to facilitate regulatory implementation of the overall process.

Rare oxidation states of group V metal compounds generated by radiolysis in non aqueous solvents: experimental and theoretical study. Attempts for synthesis of heterometallic complexes containing niobium and uranium or thorium

International Nuclear Information System (INIS)

Le Motais, B.

1986-02-01

Mononuclear and binuclear complexes of group V trivalent metals (V, Nb, Ta), coordinated with γ-picolin molecules and chlorine atoms, have been oxidized or reduced, respectively by the radical-ions CH 2 Cl 2 + or CH 3 CN - radiolytically generated in free-oxygen dichloromethane or acetonitrile. The mechanism of these reactions have been established from kinetic, spectroscopic data and in some cases, from EPR measurements and theoretical SWXα calculations. Some preliminary results about the reaction occurring between Cp 2 Nb-(CO)H and Cp 2 'M(CH 3 ) 2 (M=U or Th) (Cp = eta 5 - C 5 H 5 ; Cp = eta 5 - (C 5 (CH 3 ) 5 ) are also reported [fr

Blue phosphorescent organic light-emitting diodes using an exciplex forming co-host with the external quantum efficiency of theoretical limit.

Science.gov (United States)

Shin, Hyun; Lee, Sunghun; Kim, Kwon-Hyeon; Moon, Chang-Ki; Yoo, Seung-Jun; Lee, Jeong-Hwan; Kim, Jang-Joo

2014-07-16

A high-efficiency blue-emitting organic light-emitting diode (OLED) approaching theoretical efficiency using an exciplex-forming co-host composed of N,N'-dicarbazolyl-3,5-benzene (mCP) and bis-4,6-(3,5-di-3-pyridylphenyl)- 2-methylpyrimidine (B3PYMPM) is fabricated. Iridium(III)bis[(4,6-difluorophenyl)- pyridinato-N,C2']picolinate (FIrpic) is used as the emitter, which turns out to have a preferred horizontal dipole orientation in the emitting layer. The OLED shows a maximum external quantum efficiency of 29.5% (a maximum current efficiency of 62.2 cd A(-1) ), which is in perfect agreement with the theoretical prediction. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Complexes of Th(IV) perchlorates, nitrates and thiocyanates with some heterocyclic bases

International Nuclear Information System (INIS)

Agarwal, R.K.; Srivastava, A.K.; Srivastava, M.; Bhakru, N.; Srivastava, T.N.

1980-01-01

Some Th(IV) perchlorate complexes of heterocyclic bases have been reported previously. Adducts of Th(IV) nitrates and thiocyanates with some heterocyclic N-oxides have been prepared and physico-chemical properties investigated. Comparatively little is known about the complexes of Th(IV) ion with the ligands containing nitrogen atom acting as electron donating centres. In view of this, the adducts of Th(IV) ion with certain nitrogen heterocyclic bases such as pyridine (Py), α-picoline (Pic), 2-amino pyridine (NH 2 Py), 2:4-lutidine (2,4LN), 2:6-lutidine, (2,6LN), quinoline (Q), isoquinoline (Isoq), 2,2'-bipyridine (Bipy) and 1,10-phenanthroline (Phen) were synthesised and characterised by analysis and IR absorption spectra. The results are presented and discussed. (author)

Some organodioxygen complexes of molybdenum(VI), tungsten(VI), zinc(II) and cadmium(II) containing some monodentate and multidentate ligands

International Nuclear Information System (INIS)

Tarafder, M.T.H.; Leo Man Lin; Grouse, Karen A.; Mariotto, Gino

2003-08-01

Several novel organodioxygen complexes of the type [M(O)(O 2 ) 2 L](MMo(VI), W(VI)) and [M'(O 2 )L](M'= Cd(II) and Zn(II)) have been synthesized using monodentate, bidentate and tridentate ligands, L pyridine, picolinic acid, diethylenetriamine, 1,2-phenylenediamine, triphenylphosphine oxide. These complexes were characterized by elemental analyses, conductivity measurements, infrared, Raman spectral studies. For dioxygen complexes, the v(O=O) stretches of the superoxo moities were only Raman active, because of apparent linearity of the M-O 2 moieties, giving peaks at 1020-1030 cm -1 . The complexes were all thermodynamically stable. The dioxygen complexes containing bidentate co-ligands were found to show oxygen transfer reactions to various organic and inorganic substrates. Mechanisms have been postulated. (author)

Mixing of phosphorescent and exciplex emission in efficient organic electroluminescent devices.

Science.gov (United States)

Cherpak, Vladyslav; Stakhira, Pavlo; Minaev, Boris; Baryshnikov, Gleb; Stromylo, Evgeniy; Helzhynskyy, Igor; Chapran, Marian; Volyniuk, Dmytro; Hotra, Zenon; Dabuliene, Asta; Tomkeviciene, Ausra; Voznyak, Lesya; Grazulevicius, Juozas Vidas

2015-01-21

We fabricated a yellow organic light-emitting diode (OLED) based on the star-shaped donor compound tri(9-hexylcarbazol-3-yl)amine, which provides formation of the interface exciplexes with the iridium(III) bis[4,6-difluorophenyl]-pyridinato-N,C2']picolinate (FIrpic). The exciplex emission is characterized by a broad band and provides a condition to realize the highly effective white OLED. It consists of a combination of the blue phosphorescent emission from the FIrpic complex and a broad efficient delayed fluorescence induced by thermal activation with additional direct phosphorescence from the triplet exciplex formed at the interface. The fabricated exciplex-type device exhibits a high brightness of 38 000 cd/m(2) and a high external quantum efficiency.

Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH2).

Science.gov (United States)

Scherrer, Dominik; Schilling, Mauro; Luber, Sandra; Fox, Thomas; Spingler, Bernhard; Alberto, Roger; Richmond, Craig J

2016-12-06

Two ruthenium complexes containing the tetradentate ligand [1,1'-biisoquinoline]-3,3'-dicarboxylic acid, and 4-picoline or 6-bromoisoquinoline as axial ligands have been prepared. The complexes have been fully characterised and initial studies on their potential to function as molecular water oxidation catalysts have been performed. Both complexes catalyse the oxidation of water in acidic media with Ce IV as a stoichiometric chemical oxidant, although turnover numbers and turnover frequencies are modest when compared with the closely related Ru-bda and Ru-pda analogues. Barriers for the water nucleophilic attack and intermolecular coupling pathways were obtained from density functional theory calculations and the crucial influence of the ligand framework in determining the most favourable reaction pathway was elucidated from a combined analysis of the theoretical and experimental results.

Synthesis of selective extractor for minor actinide elements

Energy Technology Data Exchange (ETDEWEB)

Kim, Jong Seung [Konyang University, Nonsan (Korea); Cho, Moon Hwan [Kangwon National University, Chunchon (Korea)

1998-04-01

To selectively co-separate the lanthanide and actinide elements (MA) such as Am or Cm ion from radioactive waste, synthesis of diamide derivatives has been accomplished. In addition, picoline amide derivatives were also synthesized for selectively separate the minor actinide elements from lanthanide elements. The content of research has don are as follows: (1) synthesis of diamide as co-extractant (2) introduction of n-tetradecyl to increase the lipophilicity (3) Picolyl chloride, intermediate of the final product, was synthesized by improved method rather than reported method. (4) The length of alkyl side chain was adjusted to increase the lipophilicity of free ligand and its derivatives able to selectively separate the actinide metal from lanthanide metal ions was successfully synthesized and determined their purity by analytical instruments. (author). 12 refs., 28 figs.

(1S,3S,4S-tert-Butyl N-[1-benzyl-3-hydroxy-5-phenyl-4-(picolinamidopentyl]carbamate

Directory of Open Access Journals (Sweden)

Jian-Feng Zheng

2008-07-01

Full Text Available The title compound, C29H35N3O4, was obtained by the reaction of (2S,4S,5S-tert-butyl N-(4-amino-1-benzyl-3-hydroxy-5-phenylpentylcarbamate and picolinic acid using oxalyl chloride as a chlorinating reagent to activate the carboxyl group. In the crystal structure there are two molecules in the asymmetric unit, which are aligned edge-to-face. In one molecule, the pyridyl ring forms a dihedral angle of 22.0 (1° with the phenyl ring of the terminal benzyl group and 14.3 (1° with the other phenyl ring; in the other molecule, the corresponding angles are 12.1 (1 and 10.6 (1°, respectively. The packing is stabilized by intermolecular hydrogen bonds and C—H...π interactions.

Electron transfer reactions in some complexes of V+2, Co+3 and Eu+3

International Nuclear Information System (INIS)

Lellis, F.T.P.

1983-01-01

The stability constants β 1 , β 2 , β 3 for the mono-,bis-and tris-substituted complexes from vanadium (III) ions with the pyridine-2-carboxilate liquid are determined potentiometrically. The tris-substituted complex in aqueous solutions by electronic spectra and reversible cyclic voltammetry using gold electrodes is extensively characterized. In the investigation of electron tranfer kinetics involving mild oxidizing complexes, such as Co(NH 3 ) 3+ 6 , Co(en) 3+ 3 , Co(en) 2 gly 2+ , Co (histidinate) + 2 , Ru(NH 3 ) 3+ 6 and Eu 3+ ions, the tris (picolinate) vanadate (III) complex is used. Electron transfer kinetics for the Eu 3+ / 2+ couple in terms of a pseudo-first order process is analysed. The results, in terms of a tunneling mechanism, involving a set of similar, nuclear coordinates for the reactants and products, are explained. (M.J.C.) [pt

The history of cholinesterase reactivation: hydroxylamine and pyridinium aldoximes.

Science.gov (United States)

Petroianu, G A

2012-10-01

Hydroxylamine (NH2OH) the substance which will turn out to be of importance to those interested in the treatment of organophosporus cholinesterase inhibitor exposure, was synthesized by Wilhem Clemens Lossen in 1865 while working in Halle as an assistant in the laboratory of Wilhelm Heinrich Heintz. The Lossen synthesis generated hydroxylamine in aqueous solution. Anhydrous hydroxylamine was prepared almost simultaneously by Lobry de Bruyn and Crismer (1891). Using hydroxylamine as a starting point Meyer synthesized aldoximes and ketoximes (1897). Lange, a PhD student of Ladenburg, isolated 2-methyl-pyridine (alpha-picoline). Some fifty years later Wilson, working in the laboratory of Nachmansohn, demonstrated the ability of hydroxylamine to reactivate cholinesterase inhibited by organophosphates. Finally Wilson and Ginsburg using 2-methyl-pyridine as a starting point synthesized the first pyridinium aldoxime reactivator of clinical relevance, pralidoxime (1955).

Pyridine-functionalized Fe₃O₄ nanoparticles as a novel sorbent for the preconcentration of lead and cadmium ions in tree leaf as a bioindicator of urban traffic pollution.

Science.gov (United States)

Sayar, Omid; Zhad, Hamid Reza Lotfi Zadeh; Sadeghi, Omid; Amani, Vahid; Najafi, Ezzatolla; Tavassoli, Najmeh

2012-12-01

We have developed a facile and highly sensitive sorbent for cadmium and lead ions. It is based on Fe₃O₄ nanoparticles functionalized with a derivative of picoline and was characterized by scanning electron microscopy, differential thermographic analysis, and elemental analysis. The material can be applied to the preconcentration of lead and cadmium ions. Factors such as the type, concentration and volume of eluent, the pH of the sample solution, the time for extraction, and the volume of the sample were studied. The effects of a variety of ions on preconcentration and recovery of these ions were also investigated. The ions were determined by FAAS, and the limits of detection are lead and cadmium, respectively. Recoveries and precisions are >98.0 % and <1.3 %, respectively. The method was validated by analyzing several certified leaf reference materials.

Effects of dietary combination of chromium and biotin on egg production, serum metabolites, and egg yolk mineral and cholesterol concentrations in heat-distressed laying quails.

Science.gov (United States)

Sahin, K; Onderci, M; Sahin, N; Gursu, M F; Vijaya, J; Kucuk, O

2004-11-01

Chromium picolinate is used in the poultry diet because of its antistress effects in addition to the fact that the requirement for it is increased during stress. This study was conducted to determine if the negative effects of high ambient temperature (34 degrees C) on egg production, egg quality, antioxidant status, and cholesterol and mineral content of egg yolk could be alleviated by combination of chromium picolinate and biotin (0.6/2.0; Diachrome, as formulated by Nutrition 21 Inc.), in laying Japanese quails (Coturnix coturnix japanica). Quails (n= 240; 50 d old) were divided into 8 groups, 30 birds per group. The quails were fed either a basal diet or the basal diet supplemented with 2, 4, or 8 mg of Diachrome/kg diet. Birds were kept at 22 degrees C and 53% relative humidity (RH). At 14 wk of age, the thermoneutral (TN) group remained in the same temperature as at the beginning of experiment, whereas the heat stress (HS) group was kept in an environment-controlled room (34 degrees C and 41% RH) for 3 wk. Heat exposure decreased performance when the basal diet was fed (p = 0.001). Diachrome supplementation at 4 and 8 mg/kg diet, increased feed intake (p = 0.05), egg production (p = 0.05), feed efficiency (p = 0.01), egg weight (p = 0.05), and Haugh unit (p = 0.01) in quails reared under heat stress conditions. Heat exposure increased concentrations of serum malondialdehyde (MDA) (p = 0.001), glucose, and cholesterol (p = 0.01), which were elevated by supplemental Diachrome (p < or = 0.05). Egg yolk Cr, Zn, and Fe (p = 0.01) concentrations increased linearly, whereas MDA and cholesterol concentrations decreased (p = 0.05) as dietary Diachrome supplementation increased in HS groups. Similar effects of supplementation on serum levels of glucose and cholesterol (p = 0.05) and egg yolk concentrations of cholesterol (p = 0.05) and Cr (p = 0.01) were observed in TN groups. No significant differences in other values were observed in the TN groups. Results of the

The Chromium is an essential element in the human

International Nuclear Information System (INIS)

Alvarado Gamez, A.; Blanco Saenz, R.; Mora Morales, E.

2002-01-01

The Chromium is an essential element for human and animals, because it a preponderant function in the insulin metabolism as a glucose tolerance factor (GTF). The deficiency of chromium engenders a deterioration in the glucose metabolism due to bad efficiency of insulin. Because the importance of this element an exhaustive reference review was made and this presents some studies realized in laboratory animals and in human beings where it is prove with resuits the effect of chromium over the improvement of patients with non-insulin dependant diabetes. Three substances are presented as chromium active biological forms: a material rich in chromium known as glucose tolerance factor, chromium picolinate and a substance of low molecular weight LMWCr in its forms of apo and holo that contains chromium and it links the insulin receptor and improves its activity. Also this paper presents information about the condition of diabetes in Costa Rica. (Author) [es

REVIEW ARTICLE:Future of Lead Chelation – Distribution and Treatment

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Venkatesh Thuppil

2012-01-01

Full Text Available Lead is the major environmental toxin resulting in the ill health and deleterious effect on almost all organs in the human body in a slow and effective manner. The best treatment for lead poisoning is chelation therapy which is next only to prevention. The authors describe the disruption of homeostasis of the human body by lead in various tissues like blood, bones, liver, kidneys and brain; and the ability of lead to enter the cell using calcium channels and calcium receptors like Ca++ dependant K+ ion channels, transient receptor potential channels, T-tubules, calmodulin receptors, inositol trisphosphate receptors and ryanodine receptors. We report a few novel chelating agents like ionophores, decadentate ligands, picolinate ligands, octadentate ligand, allicin, thiamine, that show good potential for being used in chelation therapy. Future of leadpoisoning is a challenge to all and it needs to be meticulously studies to have an economic and health approach.

Effect of Stepwise Doping on Lifetime and Efficiency of Blue and White Phosphorescent Organic Light Emitting Diodes.

Science.gov (United States)

Lee, Song Eun; Lee, Ho Won; Lee, Seok Jae; Koo, Ja-ryong; Lee, Dong Hyung; Yang, Hyung Jin; Kim, Hye Jeong; Yoon, Seung Soo; Kim, Young Kwan

2015-02-01

We investigated a light emission mechanism of blue phosphorescent organic light emitting diodes (PHOLEDs), using a stepwise doping profile of 2, 8, and 14 wt.% within the emitting layer (EML). We fabricated several blue PHOLEDs with phosphorescent blue emitter iridium(III) bis[(4,6-difluorophenyl)-pyridinato-N,C2]picolinate doped in N,N'-dicarbazolyl-3,5-benzene as a p-type host material. A blue PHOLED with the highest doping concentration as part of the EML close to an electron transporting layer showed a maximum luminous efficiency of 20.74 cd/A, and a maximum external quantum efficiency of 10.52%. This can be explained by effective electron injection through a highly doped EML side. Additionally, a white OLED based on the doping profile was fabricated with two thin red EMLs within a blue EML maintaining a thickness of 30 nm for the entire EML. Keywords: Blue Phosphorescent Organic Light Emitting Diodes, Stepwise Doping Structure, Charge Trapping Effect.

Efficient non-doped phosphorescent orange, blue and white organic light-emitting devices

Science.gov (United States)

Yin, Yongming; Yu, Jing; Cao, Hongtao; Zhang, Letian; Sun, Haizhu; Xie, Wenfa

2014-10-01

Efficient phosphorescent orange, blue and white organic light-emitting devices (OLEDs) with non-doped emissive layers were successfully fabricated. Conventional blue phosphorescent emitters bis [4,6-di-fluorophenyl]-pyridinato-N,C2'] picolinate (Firpic) and Bis(2,4-difluorophenylpyridinato) (Fir6) were adopted to fabricate non-doped blue OLEDs, which exhibited maximum current efficiency of 7.6 and 4.6 cd/A for Firpic and Fir6 based devices, respectively. Non-doped orange OLED was fabricated utilizing the newly reported phosphorescent material iridium (III) (pbi)2Ir(biq), of which manifested maximum current and power efficiency of 8.2 cd/A and 7.8 lm/W. The non-doped white OLEDs were achieved by simply combining Firpic or Fir6 with a 2-nm (pbi)2Ir(biq). The maximum current and power efficiency of the Firpic and (pbi)2Ir(biq) based white OLED were 14.8 cd/A and 17.9 lm/W.

The coordination and atom transfer chemistry of titanium porphyrin complexes

Energy Technology Data Exchange (ETDEWEB)

Hays, James Allen [Iowa State Univ., Ames, IA (United States)

1993-11-05

Preparation, characterization, and reactivity of (η²- alkyne)(meso-tetratolylpoprphrinato)titanium(II) complexes are described, along with inetermetal oxygen atom transfer reactions involving Ti(IV) and Ti(III) porphyrin complexes. The η²- alkyne complexes are prepared by reaction of (TTP)TiCl₂ with LiAlH₄ in presence of alkyne. Structure of (OEP)Ti(η²-Ph-C≡C-Ph) (OEP=octaethylporphryin) was determined by XRD. The compounds undergo simple substitution to displace the alkyne and produce doubly substituted complexes. Structure of (TTP)Ti(4-picoline)₂ was also determined by XRD. Reaction of (TTP)Ti=O with (OEP)Ti-Cl yields intermetal O/Cl exchange, which is a one-electron redox process mediated by O atom transfer. Also a zero-electron redox process mediated by atom transfer is observed when (TTP)TiCl₂ is reacted with (OEP)Ti=O.

A Coordination Chemistry Approach to Fine-Tune the Physicochemical Parameters of Lanthanide Complexes Relevant to Medical Applications.

Science.gov (United States)

Le Fur, Mariane; Molnár, Enikő; Beyler, Maryline; Kálmán, Ferenc K; Fougère, Olivier; Esteban-Gómez, David; Rousseaux, Olivier; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos

2018-03-02

The geometric features of two pyclen-based ligands possessing identical donor atoms but different site organization have a profound impact in their complexation properties toward lanthanide ions. The ligand containing two acetate groups and a picolinate arm arranged in a symmetrical fashion (L1) forms a Gd 3+ complex being two orders of magnitude less stable than its dissymmetric analogue GdL2. Besides, GdL1 experiences a much faster dissociation following the acid-catalyzed mechanism than GdL2. On the contrary, GdL1 exhibits a lower exchange rate of the coordinated water molecule compared to GdL2. These very different properties are related to different strengths of the Gd-ligand bonds associated to steric effects, which hinder the coordination of a water molecule in GdL2 and the binding of acetate groups in GdL1. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Immobilisation in cement of ion exchange resins arising from the purification of reagents used for the decontamination of reactor circuits

International Nuclear Information System (INIS)

Howard, C.G.; Jolliffe, C.; Lee, D.J.

1988-04-01

The aim of the programme is to show that ion exchange resins used to remove activity from decontaminating agents used in water reactors can be successfully immobilised in cement. To achieve this, blends of Ordinary Portland Cement and ground granulated Blast Furnace Slag (ratio 9:1) have been used. Improvements in the properties of the product and the waste loading of 50 w/o damp resin can be achieved using microsilica, a finely divided form of silicon dioxide, as an additive to the blended cement. This report contains data on the effects of anion resins, and mixed anion/cation resins, on the performance of the cemented product. The effects of organic acids, especially picolinic and formic acids, bound to anion resins have also been investigated. In addition, formulations developed have been assessed at commercial scale (200 litres of cemented product) for their process and product characteristics. The final part of the report deals with the long-term product performance of samples prepared from cation resins which are now nearly one year old. (author)

Characterisation of thin films of organic phosphorescent materials using synchrotron radiation

International Nuclear Information System (INIS)

Thompson, J.; Arima, V.; Matino, F.; Cingolani, R.; Blyth, R.I.R.

2005-01-01

Synchrotron radiation photoemission and X-ray absorption spectroscopy (NEXAFS) have been used to investigate the electronic structure of evaporated films of the phosphorescent organic iridium complexes iridium tris-(2-(4-totyl)pyridinato-N,C 2 ), iridium bis(2-(4,6-difluorophenyl)pyridinato-N,C 2 )picolinate, and iridium bis(2-(2'-benzothienyl)pyridinato-N,C 3 )-(acetylacetonate) and spin coated films of these materials in a polymer host. Resonant photoemission at the Ir N 6,7 edge indicates that the Ir 5d states are hybridised with the π orbitals of the organic ligands, in agreement with recent calculations. The nitrogen K-edge NEXAFS shows the difference in the unoccupied orbitals induced by the acetylacetonate group compared to those of the pyridinate ligands. Although the valence bands of the ex situ prepared films are not accessible to photoemission, the Ir 4f core levels remain visible, and demonstrate that the polymer host serves to lower the electron injection barrier in the iridium complexes in comparison to the pure films

Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases; Part 1: alkyl halide alkylations.

Science.gov (United States)

Sorochinsky, Alexander E; Aceña, José Luis; Moriwaki, Hiroki; Sato, Tatsunori; Soloshonok, Vadim A

2013-10-01

Alkylations of chiral or achiral Ni(II) complexes of glycine Schiff bases constitute a landmark in the development of practical methodology for asymmetric synthesis of α-amino acids. Straightforward, easy preparation as well as high reactivity of these Ni(II) complexes render them ready available and inexpensive glycine equivalents for preparing a wide variety of α-amino acids, in particular on a relatively large scale. In the case of Ni(II) complexes containing benzylproline moiety as a chiral auxiliary, their alkylation proceeds with high thermodynamically controlled diastereoselectivity. Similar type of Ni(II) complexes derived from alanine can also be used for alkylation providing convenient access to quaternary, α,α-disubstituted α-amino acids. Achiral type of Ni(II) complexes can be prepared from picolinic acid or via recently developed modular approach using simple secondary or primary amines. These Ni(II) complexes can be easily mono/bis-alkylated under homogeneous or phase-transfer catalysis conditions. Origin of diastereo-/enantioselectivity in the alkylations reactions, aspects of practicality, generality and limitations of this methodology is critically discussed.

Characterisation of thin films of organic phosphorescent materials using synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Thompson, J. [Float-Lux srl., via Ravenna 14, 73100 Lecce (Italy); Arima, V. [National Nanotechnology Laboratory of INFM, Distretto Tecnologico ISUFI, Universita di Lecce, via per Arnesano, 73100 Lecce (Italy); Matino, F. [National Nanotechnology Laboratory of INFM, Distretto Tecnologico ISUFI, Universita di Lecce, via per Arnesano, 73100 Lecce (Italy); Cingolani, R. [National Nanotechnology Laboratory of INFM, Distretto Tecnologico ISUFI, Universita di Lecce, via per Arnesano, 73100 Lecce (Italy); Blyth, R.I.R. [National Nanotechnology Laboratory of INFM, Distretto Tecnologico ISUFI, Universita di Lecce, via per Arnesano, 73100 Lecce (Italy)]. E-mail: rob.blyth@unile.it

2005-07-30

Synchrotron radiation photoemission and X-ray absorption spectroscopy (NEXAFS) have been used to investigate the electronic structure of evaporated films of the phosphorescent organic iridium complexes iridium tris-(2-(4-totyl)pyridinato-N,C{sup 2}), iridium bis(2-(4,6-difluorophenyl)pyridinato-N,C{sup 2})picolinate, and iridium bis(2-(2'-benzothienyl)pyridinato-N,C{sup 3})-(acetylacetonate) and spin coated films of these materials in a polymer host. Resonant photoemission at the Ir N{sub 6,7} edge indicates that the Ir 5d states are hybridised with the {pi} orbitals of the organic ligands, in agreement with recent calculations. The nitrogen K-edge NEXAFS shows the difference in the unoccupied orbitals induced by the acetylacetonate group compared to those of the pyridinate ligands. Although the valence bands of the ex situ prepared films are not accessible to photoemission, the Ir 4f core levels remain visible, and demonstrate that the polymer host serves to lower the electron injection barrier in the iridium complexes in comparison to the pure films.

The Effect of Herbicides on Hydrogen Peroxide Generation in Isolated Vacuoles of Red Beet Root (Beta vulgaris L.

Directory of Open Access Journals (Sweden)

E.V. Pradedova

2015-12-01

Full Text Available Influence of herbicides on the hydrogen peroxide generation in vacuolar extracts of red beet root (Beta vulgaris L. was investigated. Belonging to different chemical classes of herbicide compounds have been used. Herbicides differ from each other in the mechanism of effects on plants. Clopyralid (aromatic acid herbicide, derivative of picolinic acid and 2.4-D (phenoxyacetic herbicide, characterized by hormone-like effects, contributed to the formation of H2O2 in vacuolar extracts. Fluorodifen (nitrophenyl ether herbicide and diuron (urea herbicide also have increased contents H2O2. These compounds inhibit the electron transport, photosynthesis, and photorespiration in sensitive plants. Herbicidal effect of glyphosate (organophosphorus herbicide is due to the inhibition of amino acid synthesis in plant cells. Glyphosate did not affect the content of H2O2 in vacuolar extracts. Herbicide dependent H2O2-generation did not occur with oxidoreductase inhibitors, potassium cyanide and sodium azide. The results suggest that the formation of ROS in the vacuoles due to activity of oxidoreductases, which could interact with herbicides.

Rapid screening of anabolic steroids in horse urine with ultra-high-performance liquid chromatography/tandem mass spectrometry after chemical derivatisation.

Science.gov (United States)

Wong, Colton H F; Leung, David K K; Tang, Francis P W; Wong, Jenny K Y; Yu, Nola H; Wan, Terence S M

2012-04-06

Liquid chromatography/mass spectrometry (LC/MS) has been successfully applied to the detection of anabolic steroids in biological samples. However, the sensitive detection of saturated hydroxysteroids, such as androstanediols, by electrospray ionisation (ESI) is difficult because of their poor ability to ionise. In view of this, chemical derivatisation has been used to enhance the detection sensitivity of hydroxysteroids by LC/MS. This paper describes the development of a sensitive ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS) method for the screening of anabolic steroids in horse urine by incorporating a chemical derivatisation step, using picolinic acid as the derivatisation reagent. The method involved solid-phase extraction (SPE) of both free and conjugated anabolic steroids in horse urine using a polymer-based SPE cartridge (Abs Elut Nexus). The conjugated steroids in the eluate were hydrolysed by methanolysis and the resulting extract was further cleaned up by liquid-liquid extraction. The resulting free steroids in the extract were derivatised with picolinic acid to form the corresponding picolinoyl esters and analysed by UHPLC/MS/MS in the positive ESI mode with selected-reaction-monitoring. Separation of the targeted steroids was performed on a C18 UHPLC column. The instrument turnaround time was 10.5 min inclusive of post-run equilibration. A total of thirty-three anabolic steroids (including 17β-estradiol, 5(10)-estrene-3β,17α-diol, 5α-estrane-3β,17α-diol, 17α-ethyl-5α-estran-3α,17β-diol, 17α-methyl-5α-androstan-3,17β-diols, androstanediols, nandrolone and testosterone) spiked in negative horse urine at the QC levels (ranging from 0.75 to 30 ng/mL) could be consistently detected. The intra-day and inter-day precisions (% RSD) for the peak area ratios were around 7-51% and around 1-72%, respectively. The intra-day and inter-day precisions (% RSD) for the relative retention times were both less than 1% for

The Interaction of C{sup 14} Recoil Atoms in Binary Mixtures; Interaction entre Atomes {sup 14}C de Recul et Composants de Melanges Binaires; Vzaimodejstvie atomov otdachi ugleroda-14 v binarnykh smesyakh; Interaccion de los Atomos de Retroceso del {sup 14}C en Mezclas Binarias

Energy Technology Data Exchange (ETDEWEB)

Firsova, L. P.; Barakat, M. F.; Forys, M.; Nesmejanov, An. N. [Moskovskij Gosudarstvennyj Universitet, Moskva, SSSR (Russian Federation)

1965-04-15

A study was made of the intermolecular distribution of activity in C{sup 14} -labelled products, formed as a result of the interaction of C{sup 14} atoms with components of binary liquid mixtures containing heterocyclic compounds. Particular attention was paid to the systems indole-aniline, indole-pyridine, {alpha}-picoline-toluene, {alpha}-picolene-aniline, etc. Data were obtained on the relation between the radiochemical yields of labelled products and the concentration of components in dilute solutions and in comparable concentrations of substances in mixtures. Analysis of the experimental results for an additive system enabled us to determine the deviations from the additivity principle. The deviations observed were interpreted as the result of the participation of the second component of the system in the primary and secondary reactions accompanying nuclear transformations. In considering the role of the second component, we took into account the variations in its predominant reaction mechanisms in various concentration ranges. Special attention was paid to the possibility of an intermolecular transfer of the energy of a radiation shield, and also of the mechanism of the corresponding processes. (author) [French] Les auteurs etudient la distribution intermoleculaire de la radioactivite dans les produits marques avec {sup 14}C qui se forment a la suite de l'interaction entre le carbone-14 et les composants de melanges liquides binaires contenant des substances heterocycliqiies. Ils examinent notamment les systemes indole-aniline, indole- pyxidine, {alpha}-picoline-toluol, {alpha}-picoline-aniline, etc. Ils ont obtenu des donnees sur la relation entre le rendement radiochimique en produits marques et la concentration des composants pour des solutions diluees et pour des melanges ou les deux substances ont des concentrations comparables. En traitant les donnees experimentales selon un schema additif, ils ont constate des ecarts par rapport a la regle d

Full phosphorescent white-light organic light-emitting diodes with improved color stability and efficiency by fine tuning primary emission contributions

Directory of Open Access Journals (Sweden)

Wang Hua

2014-02-01

Full Text Available In this paper, a novel type of white-light organic light emitting diode (OLED with high color stability was reported, in which the yellow-light emission layer of (4,4′-N,N′-dicarbazolebiphenyl (CBP : tris(2-phenylquinoline-C2,N′iridium(III (Ir(2-phq3 was sandwiched by double blue-light emission layers of 1,1-bis-[(di-4-tolylaminopheny1]cyclohexane (TAPC : bis[4,6-(di-fluorophenyl-pyridinato-N,C2′]picolinate (FIrpic and tris[3-(3-pyridylmesityl]borane (3TPYMB:FIrpic. And, it exhibited the maximum current efficiency of 33.1 cd/A, the turn-on voltage at about 3 V and the maximum luminance in excess of 20000 cd/m2. More important, it realized very stable white-light emission, and its CIE(x, y coordinates only shift from (0.34, 0.37 to (0.33, 0.37 as applied voltage increased from 5 V to 12 V. It is believed that the new scheme in emission layer of white-light OLED can fine tune the contribution of primary emission with applied voltage changed, resulting in high quality white-light OLED.

Hydrothermal synthesis of magnetite particles with uncommon crystal facets

Directory of Open Access Journals (Sweden)

Junki Sato

2014-09-01

Full Text Available Hydrothermal synthesis of Fe3O4 (magnetite particles was carried out using organic compounds as morphology control agents to obtain magnetite crystals with uncommon facets. It was established that the morphology of Fe3O4 crystals obtained by hydrothermal treatment of an aqueous solution containing Fe2+ and organic compounds depended on the organic compound used. The shape of the Fe3O4 particles obtained when no additives were used was quasi-octahedral. In contrast, the addition of picolinic acid, citric acid or pyridine resulted in the formation of polyhedral crystals, indicating the presence of not only {1 1 1}, {1 0 0} and {1 1 0} facets but also high-index facets including at least {3 1 1} and {3 3 1}. When citric acid was used as an additive, octahedral crystals with {1 1 1} facets also appeared, and their size decreased as the amount of citric acid was increased. Thus, control of Fe3O4 particle morphology was achieved by a simple hydrothermal treatment using additives.

Synthesis of the highly selective p38 MAPK inhibitor UR-13756 for possible therapeutic use in Werner syndrome.

Science.gov (United States)

Bagley, Mark C; Davis, Terence; Rokicki, Michal J; Widdowson, Caroline S; Kipling, David

2010-02-01

UR-13756 is a potent and selective p38 mitogen-activated protein kinase (MAPK) inhibitor, reported to have good bioavailability and pharmacokinetic properties and, thus, is of potential use in the treatment of accelerated aging in Werner syndrome. Irradiation of 2-chloroacrylonitrile and methylhydrazine in ethanol at 100 °C gives 1-methyl-3-aminopyrazole, which reacts with 4-fluorobenzaldehyde and a ketone, obtained by Claisen condensation of 4-picoline, in a Hantzsch-type 3-component hereocyclocondensation, to give the pyrazolopyridine UR-13756. UR-13756 shows p38 MAPK inhibitory activity in human telomerase reverse transcriptase-immortalized HCA2 dermal fibroblasts, with an IC(50) of 80 nm, as shown by ELISA, is 100% efficacious for up to 24 h at 1.0 μm and displays excellent kinase selectivity over the related stress-activated c-Jun kinases. In addition, UR-13756 is an effective p38 inhibitor at 1.0 μm in Werner syndrome cells, as shown by immunoblot. The convergent synthesis of UR-13756 is realized using microwave dielectric heating and provides a highly selective inhibitor that shows excellent selectivity for p38 MAPK over c-Jun N-terminal kinase.

Transition from Arrhenius to non-Arrhenius temperature dependence of structural relaxation time in glass-forming liquids: continuous versus discontinuous scenario.

Science.gov (United States)

Popova, V A; Surovtsev, N V

2014-09-01

The temperature dependences of α relaxation time τ(α)(T) of three glass-forming liquids (salol, o-terphenyl, and α-picoline) were investigated by a depolarized light scattering technique. A detailed description of τ(α)(T) near T(A), the temperature of the transition from the Arrhenius law at high temperatures to a non-Arrhenius behavior of τ(α)(T) at lower temperatures, was done. It was found that this transition is quite sharp. If the transition is described as switching from the Arrhenius law to the Vogel-Fulcher-Tammann law, it occurs within the temperature range of about 15 K or less. Most of the known expressions for τ(α)(T) cannot describe this sharp transition. Our analysis revealed that this transition can be described either as a discontinuous transition in the spirit of the frustration-limited domain theory [D. Kivelson, G. Tarjus, X. Zhao, and S. A. Kivelson, Phys. Rev. E 53, 751 (1996)], implying a phase transition, or by a phenomenological expression recently suggested [B. Schmidtke, N. Petzold, R. Kahlau, M. Hofmann, and E. A. Rössler, Phys. Rev. E 86, 041507 (2012)], where the activation energy includes the term depending exponentially on temperature.

Early development of osteoporosis in male smokers with hypoandrogenism due to fascioliasis with or without schistosomiasis added by life style.

Science.gov (United States)

Kilany, Yasser Fouad; Abou Holw, Sahar A; Abouel-Nour, Mohamed Fathy; Morsy, Ayman T A

2009-12-01

The multifactor outcome of hypoandrogenemia with the impact of oxidative stress induced by glucose intolerance, fascioliasis with or without schistosomiasis and cumulative smoking influence on bone remodeling and the early development of osteoporotic manifestations were studied. The effect on vascular endothelium immune mediated mechanisms and antioxidant capacity were monitored in cases of youth aged selected male smokers involving 20 with hypoandrogenemia who were either subjected to sedentary life style, glucose intolerance fascioliasis hepatic fibrosis (FHF) (G1) or without (G2) and GI after following 6 months therapy (G3). Monitoring of clinical picture and biochemical assessments of osteoporotic indices (osteocolcin, bone alkaline phosphatase, parathyroid hormone, urinary cyclic AMP), hypoandrogenism (dehydroepiandrosterane sulphate or DHEAS & testosterone) glycemic determinant (insulin) immuno-inflammatory response (interleukein-6, tumor necrosis factor alpha, E-selectin, ceruloplasmin) smoking index (serum cotinine), total antioxidant capacity (AOC) and lipid peroxidation (malonedialdehyde) was done before and after 6 months therapeutic program involving supplement of DHEAS, mirazid, chromium picolinate, and megavit zinc alongside smoking cessation and physical exercise daily for at least 30 minutes. Treatment with Mirazid supplied as 10 mg/kg for 6 successive days resulted in 100% cure of fascioliasis whether single or combined with schistosomiasis.

Full phosphorescent white-light organic light-emitting diodes with improved color stability and efficiency by fine tuning primary emission contributions

Energy Technology Data Exchange (ETDEWEB)

Hua, Wang, E-mail: wmsu2008@sinano.ac.cn, E-mail: wanghua001@tyut.edu.cn; Du, Xiaogang [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan 030024 (China); Research Center of Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Su, Wenming, E-mail: wmsu2008@sinano.ac.cn, E-mail: wanghua001@tyut.edu.cn; Zhang, Dongyu [Printable Electronics Research Centre, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, suzhou 215123 (China); Lin, Wenjing [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan 030024 (China); Research Center of Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Printable Electronics Research Centre, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, suzhou 215123 (China)

2014-02-15

In this paper, a novel type of white-light organic light emitting diode (OLED) with high color stability was reported, in which the yellow-light emission layer of (4,4{sup ′}-N,N{sup ′}-dicarbazole)biphenyl (CBP) : tris(2-phenylquinoline-C2,N{sup ′})iridium(III) (Ir(2-phq){sub 3}) was sandwiched by double blue-light emission layers of 1,1-bis-[(di-4-tolylamino)pheny1]cyclohexane (TAPC) : bis[4,6-(di-fluorophenyl)-pyridinato-N,C2{sup ′}]picolinate (FIrpic) and tris[3-(3-pyridyl)mesityl]borane (3TPYMB):FIrpic. And, it exhibited the maximum current efficiency of 33.1 cd/A, the turn-on voltage at about 3 V and the maximum luminance in excess of 20000 cd/m{sup 2}. More important, it realized very stable white-light emission, and its CIE(x, y) coordinates only shift from (0.34, 0.37) to (0.33, 0.37) as applied voltage increased from 5 V to 12 V. It is believed that the new scheme in emission layer of white-light OLED can fine tune the contribution of primary emission with applied voltage changed, resulting in high quality white-light OLED.

Full phosphorescent white-light organic light-emitting diodes with improved color stability and efficiency by fine tuning primary emission contributions

Science.gov (United States)

Hua, Wang; Du, Xiaogang; Su, Wenming; Lin, Wenjing; Zhang, Dongyu

2014-02-01

In this paper, a novel type of white-light organic light emitting diode (OLED) with high color stability was reported, in which the yellow-light emission layer of (4,4'-N,N'-dicarbazole)biphenyl (CBP) : tris(2-phenylquinoline-C2,N')iridium(III) (Ir(2-phq)3) was sandwiched by double blue-light emission layers of 1,1-bis-[(di-4-tolylamino)pheny1]cyclohexane (TAPC) : bis[4,6-(di-fluorophenyl)-pyridinato-N,C2']picolinate (FIrpic) and tris[3-(3-pyridyl)mesityl]borane (3TPYMB):FIrpic. And, it exhibited the maximum current efficiency of 33.1 cd/A, the turn-on voltage at about 3 V and the maximum luminance in excess of 20000 cd/m2. More important, it realized very stable white-light emission, and its CIE(x, y) coordinates only shift from (0.34, 0.37) to (0.33, 0.37) as applied voltage increased from 5 V to 12 V. It is believed that the new scheme in emission layer of white-light OLED can fine tune the contribution of primary emission with applied voltage changed, resulting in high quality white-light OLED.

Present status of LAM-80ET

International Nuclear Information System (INIS)

Izumi, Y.

1990-01-01

The present report briefly describes major aspects of a quasielastic neutron scattering spectrometer installed at KEK (National Laboratory for High Energy Physics, Japan). It is a latticed array mirror (LAM) spectrometer for measuring the neutron TOF which employs the KENS spallation cold neutron source and crystal analyzer mirror. This spectrometer is a very useful device to study diffusive motion or the relaxation process in molecular science and in many other fields. By measuring the quasielastic neutron scattering, one can obtain useful information for the analysis of temporal and spatial properties of atoms and molecules which are in random motion with a characteristic time of 10 -12 to 10 -9 seconds. The report then outlines major design considerations and some details of down-scattering crystal spectrometer LAM-80ET which uses a mica analyzer. Its configuration is shown and discussed. The LAM-80ET spectrometer incorporates a LAM-type analyzer mirror. Its performance is then outlined focusing on its resolution. The LAM-80ET spectrometer has demonstrated a satisfactory performance particularly in tunneling study of N-oxy γ picoline. Usefulness of the 20 K methane pulsed cold source has also been demonstrated. (N.K.)

Metal-organic cooperative catalysis in C-H and C-C bond activation and its concurrent recovery.

Science.gov (United States)

Park, Young Jun; Park, Jung-Woo; Jun, Chul-Ho

2008-02-01

The development of an efficient catalytic activation (cleavage) system for C-H and C-C bonds is an important challenge in organic synthesis, because these bonds comprise a variety of organic molecules such as natural products, petroleum oils, and polymers on the earth. Among many elegant approaches utilizing transition metals to activate C-H and C-C bonds facilely, chelation-assisted protocols based on the coordinating ability of an organic moiety have attracted great attention, though they have often suffered from the need for an intact coordinating group in a substrate. In this Account, we describe our entire efforts to activate C-H or C-C bonds adjacent to carbonyl groups by employing a new concept of metal-organic cooperative catalysis (MOCC), which enables the temporal installation of a 2-aminopyridyl group into common aldehydes or ketones in a catalytic way. Consequently, a series of new catalytic reactions such as alcohol hydroacylation, oxo-ester synthesis, C-C triple bond cleavage, hydrative dimerization of alkynes, and skeletal rearrangements of cyclic ketones was realized through MOCC. In particular, in the quest for an optimized MOCC system composed of a Wilkinson's catalyst (Ph 3P) 3RhCl and an organic catalyst (2-amino-3-picoline), surprising efficiency enhancements could be achieved when benzoic acid and aniline were introduced as promoters for the aldimine formation process. Furthermore, a notable accomplishment of C-C bond activation has been made using 2-amino-3-picoline as a temporary chelating auxiliary in the reactions of unstrained ketones with various terminal olefins and Wilkinson's catalyst. In the case of seven-membered cyclic ketones, an interesting ring contraction to five- or six-membered ones takes place through skeletal rearrangements initiated by the C-C bond activation of MOCC. On the other hand, the fundamental advances of these catalytic systems into recyclable processes could be achieved by immobilizing both metal and organic

Complexes of uranium (IV) and thorium (IV) with α-picolinic acid, nicotinic acid, anthranilic acid and N-phenylanthranilic acid

International Nuclear Information System (INIS)

Singh, M.; Singh, R.

1979-01-01

Stable U(IV) and Th(IV) complexes with the title ligands have been synthesised from U(OAc) 4 , and Th(OAc) 4 . Magnetic susceptibilities, IR and reflectance spectra of U(IV) and IR spectra of Th(IV) complexes have been studied which indicate eight coordination for U(IV) in these chelates. (auth.)

Gene manipulation for salt tolerance and blast resistance through in vitro techniques in rice (Oryza sativa L.)

Energy Technology Data Exchange (ETDEWEB)

Reddy, G M [Department of Genetics, Osmania University, Hyderabad (India)

1990-01-01

Full text: Rice calli generally lose regenerating ability in about 90 days. However, plant regeneration (60-70%) from 1500 day old embryo calli of 'Thellahamsa' cultivar has been established with 3% sorbitol/mannitol on LS media for efficient genetic manipulation at the cellular level. Matured embryo calli of four susceptible cultivars, 'Tellahamsa', 'Jaya', 'HR-2' and 'Zenith' were irradiated (0.1-0.5 kR) and challenged with Pyricularia oryzae spore suspensions (10{sup 5}/ml) and with the major toxin d-picolinic acid (125-200 ppm). A total of 514 plants were regenerated from the resistant calli. The TC-2 plants exhibited varying degrees of resistance (66-78%). The genetic basis of resistance of regenerated plants and their progeny may help in understanding the mechanism. Rice embryo calli of nine scented and non-scented cultivars were challenged with NaCI (0.5-2%) and 25-50% sea water with or without proline. A total of 222 plants were regenerated. The progeny of TC-2 plants were evaluated with normal and saline soil (EC 13.5 ds/m) for yield parameters. These studies suggested that stable tolerant TC-2 plants under stress exhibited superior yield parameters and the salinity index ranged from 89.4-98.4. (author)

An orthogonal ferromagnetically coupled tetracopper(II) 2 x 2 homoleptic grid supported by micro-O4 bridges and its DFT study.

Science.gov (United States)

Roy, Somnath; Mandal, Tarak Nath; Barik, Anil Kumar; Pal, Sachindranath; Butcher, Ray J; El Fallah, Mohamed Salah; Tercero, Javier; Kar, Susanta Kumar

2007-03-28

A pyrazole based ditopic ligand (PzOAP), prepared by the reaction between 5-methylpyrazole-3-carbohydrazide and methyl ester of imino picolinic acid, reacts with Cu(NO3)2.6H2O to form a self-assembled, ferromagnetically coupled, alkoxide bridged tetranuclear homoleptic Cu(II) square grid-complex [Cu4(PzOAP)4(NO3)2] (NO3)2.4H2O (1) with a central Cu4[micro-O4] core, involving four ligand molecules. In the Cu4[micro-O4] core, out of four copper centers, two copper centers are penta-coordinated and the remaining two are hexa-coordinated. In each case of hexa-coordination, the sixth position is occupied by the nitrate ion. The complex 1 has been characterized structurally and magnetically. Although Cu-O-Cu bridge angles are too large (138-141 degrees) and Cu-Cu distances are short (4.043-4.131 A), suitable for propagation of expected antiferromagnetic exchange interactions within the grid, yet intramolecular ferromagnetic exchange (J = 5.38 cm(-1)) is present with S = 4/2 magnetic ground state. This ferromagnetic interaction is quite obvious from the bridging connections (d(x2-y2)) lying almost orthogonally between the metal centers. The exchange pathways parameters have been evaluated from density functional calculations.

Gene manipulation for salt tolerance and blast resistance through in vitro techniques in rice (Oryza sativa L.)

International Nuclear Information System (INIS)

Reddy, G.M.

1990-01-01

Full text: Rice calli generally lose regenerating ability in about 90 days. However, plant regeneration (60-70%) from 1500 day old embryo calli of 'Thellahamsa' cultivar has been established with 3% sorbitol/mannitol on LS media for efficient genetic manipulation at the cellular level. Matured embryo calli of four susceptible cultivars, 'Tellahamsa', 'Jaya', 'HR-2' and 'Zenith' were irradiated (0.1-0.5 kR) and challenged with Pyricularia oryzae spore suspensions (10 5 /ml) and with the major toxin d-picolinic acid (125-200 ppm). A total of 514 plants were regenerated from the resistant calli. The TC-2 plants exhibited varying degrees of resistance (66-78%). The genetic basis of resistance of regenerated plants and their progeny may help in understanding the mechanism. Rice embryo calli of nine scented and non-scented cultivars were challenged with NaCI (0.5-2%) and 25-50% sea water with or without proline. A total of 222 plants were regenerated. The progeny of TC-2 plants were evaluated with normal and saline soil (EC 13.5 ds/m) for yield parameters. These studies suggested that stable tolerant TC-2 plants under stress exhibited superior yield parameters and the salinity index ranged from 89.4-98.4. (author)

Stability of nicotinate and dodecyl sulfate in a Lewis acidic ionic liquid for aluminum electroplating and characterization of their degradation products.

Science.gov (United States)

Kosmus, Patrick; Steiner, Oliver; Goessler, Walter; Gollas, Bernhard; Fauler, Gisela

2016-04-01

Plating bath additives are essential for optimization of the morphology of electroplated layers. The ionic liquid 1-ethyl-3-methylimidazolium (EMIM) chloride plus 1.5 mol equivalents of AlCl3 has great potential for electroplating of aluminum. In this study, the chemical and electrochemical stability of the additives EMIM-nicotinate and sodium dodecyl sulfate and their effect on the stability of EMIM was investigated and analyzed. Nicotinate and its electrochemical decomposition product β-picoline could be detected and we show with a single HPLC-UV-MS method that EMIM is not affected by the decomposition of this additive. An adapted standard HPLC-UV-MS method together with GC-MS and ion chromatography was used to analyze the decomposition products of SDS and possible realkylation products of EMIM. Several volatile medium and short chain-length alkanes as well as sulfate ions have been found as decomposition products of SDS. Alkenium ions formed as intermediates during the decomposition of SDS realkylate EMIM to produce mono- up to pentasubstituted alkyl-imidazoles. A reaction pathway involving Wagner-Meerwein rearrangements and Friedel-Crafts alkylations has been suggested to account for the formation of the detected products. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Developmental Changes for the Hemolymph Metabolome of Silkworm (Bombyx moriL.)

Science.gov (United States)

Zhou, Lihong; Li, Huihui; Hao, Fuhua; Li, Ning; Liu, Xin; Wang, Guoliang; Wang, Yulan; Tang, Huiru

2015-01-01

Silkworm (Bombyx mori) is a lepidopteran-holometabolic model organism. To understand its developmental biochemistry, we characterized the larval hemolymph metabonome from the third instar to prepupa stage using 1H NMR spectroscopy whilst hemolymph fatty acid composition using GC-FID/MS. We unambiguously assigned more than 60 metabolites, among which tyrosine-o-β-glucuronide, mesaconate, homocarnosine, and picolinate were reported for the first time from the silkworm hemolymph. Phosphorylcholine was the most abundant metabolite in all developmental stages with exception for the periods before the third and fourth molting. We also found obvious developmental dependence for the hemolymph metabonome involving multiple pathways including protein biosyntheses, glycolysis, TCA cycle, the metabolisms of choline amino acids, fatty acids, purines, and pyrimidines. Most hemolymph amino acids had two elevations during the feeding period of the fourth instar and prepupa stage. Trehalose was the major blood sugar before day 8 of the fifth instar, whereas glucose became the major blood sugar after spinning. C16:0, C18:0 and its unsaturated forms were dominant fatty acids in hemolymph. The developmental changes of hemolymph metabonome were associated with dietary nutrient intakes, biosyntheses of cell membrane, pigments, proteins, and energy metabolism. These findings offered essential biochemistry information in terms of the dynamic metabolic changes during silkworm development. PMID:25825269

Theoretical studies on the electronic structures and spectral properties of a series of bis-cyclometalated iridium(III) complexes using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Han, Deming [International Joint Research Center for Nanophotonics and Biophotonics, School of Life Science and Technology, Changchun University of Science and Technology, Changchun 130022 (China); Zhang, Gang [State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023 (China); Cai, Hongxing; Zhang, Xihe [International Joint Research Center for Nanophotonics and Biophotonics, School of Science, Changchun University of Science and Technology, Changchun 130022 (China); Zhao, Lihui, E-mail: zhaolihui@yahoo.com [International Joint Research Center for Nanophotonics and Biophotonics, School of Life Science and Technology, Changchun University of Science and Technology, Changchun 130022 (China)

2013-06-15

We report a quantum-chemistry study of electronic structures and spectral properties of four Ir(III) complexes Ir[2-(2,4-di-X-phenyl)pyridine]{sub 2}(picolinate), where X=–CH{sub 3} (1), –H (2), –CN (3), –NO{sub 2} (4). The absorption and emission spectra were calculated based on the optimized ground state and excited state geometries, respectively, by means of the time-dependent density functional theory (TDDFT). The effect from the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption, and phosphorescent properties has been investigated. The absorption and emission properties can be altered by the different electron-withdrawing and electron-donating groups. Besides, ionization potential (IP), electron affinities (EA) and reorganization energy (λ{sub hole/electron}) were obtained to evaluate the charge transfer and balance properties between hole and electron. The calculated results show that the different substitute groups affect the charge transfer rate and balance. It can be anticipated that the complexes 3 and 4 have good charge transport rates and balance between the hole and electron. -- Highlights: ► Four Ir(III) complexes have been theoretically investigated. ► The different substituents affect the charge transfer rate and balance. ► We design two candidate materials for OLEDs.

Theoretical studies on the electronic structures and spectral properties of a series of bis-cyclometalated iridium(III) complexes using density functional theory

International Nuclear Information System (INIS)

Han, Deming; Zhang, Gang; Cai, Hongxing; Zhang, Xihe; Zhao, Lihui

2013-01-01

We report a quantum-chemistry study of electronic structures and spectral properties of four Ir(III) complexes Ir[2-(2,4-di-X-phenyl)pyridine] 2 (picolinate), where X=–CH 3 (1), –H (2), –CN (3), –NO 2 (4). The absorption and emission spectra were calculated based on the optimized ground state and excited state geometries, respectively, by means of the time-dependent density functional theory (TDDFT). The effect from the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption, and phosphorescent properties has been investigated. The absorption and emission properties can be altered by the different electron-withdrawing and electron-donating groups. Besides, ionization potential (IP), electron affinities (EA) and reorganization energy (λ hole/electron ) were obtained to evaluate the charge transfer and balance properties between hole and electron. The calculated results show that the different substitute groups affect the charge transfer rate and balance. It can be anticipated that the complexes 3 and 4 have good charge transport rates and balance between the hole and electron. -- Highlights: ► Four Ir(III) complexes have been theoretically investigated. ► The different substituents affect the charge transfer rate and balance. ► We design two candidate materials for OLEDs

Detection of new human metabolic urinary markers in chronic alcoholism and their reversal by aqueous extract of Tinospora cordifolia stem.

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Mittal, Ashwani; Dabur, Rajesh

2015-05-01

We have studied urine metabolic signature of chronic alcoholism (CA) before and after treatment with an Ayurvedic drug Tinospora cordifolia aqueous extract (TCE). Urinary metabolites of chronic alcoholics and apparently healthy subjects were profiled using HPLC-Q-TOF-MS. Discrimination models from the initial data sets were able to correctly assign the unknown samples to the CA, treated or healthy groups in validation sets with r(2) > 0.98. Metabolic signature in CA patients include changed tryptophan, fatty acids and pyrimidines metabolism. Several novel biomarkers of alcoholism were observed in urine for the first time which includes, 5-hydroxyindole, phenylacetic acid, picolinic acid, quinaldic acid, histidine, cystathionine, riboflavin, tetrahydrobiopterin and chenodeoxyglycocholic acid, in addition to previously reported biomarkers. Treatment of CA with TCE reverted the levels of most of the biomarkers except tetrahydrobiopterin levels. These results suggested that the measurement of these urine metabolites could be used as a non-invasive diagnostic method for the detection of CA. As TCE treatment significantly reversed the affected pathways without any side effect. Overall, the present data depicts that TCE may be used either alone or adjunct in reducing alcohol-induced disorders. © The Author 2015. Medical Council on Alcohol and Oxford University Press. All rights reserved.

Photoisomerization Mechanism of Ruthenium Sulfoxide Complexes: Role of the Metal-Centered Excited State in the Bond Rupture and Bond Construction Processes.

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Li, Huifang; Zhang, Lisheng; Zheng, Lvyin; Li, Xun; Fan, Xiaolin; Zhao, Yi

2016-09-26

Phototriggered intramolecular isomerization in a series of ruthenium sulfoxide complexes, [Ru(L)(tpy)(DMSO)](n+) (where tpy=2,2':6',2''-terpyridine; DMSO=dimethyl sulfoxide; L=2,2'-bipyridine (bpy), n=2; N,N,N',N'-tetramethylethylenediamine (tmen) n=2; picolinate (pic), n=1; acetylacetonate (acac), n=1; oxalate (ox), n=0; malonate (mal), n=0), was investigated theoretically. It is observed that the metal-centered ligand field ((3) MC) state plays an important role in the excited state S→O isomerization of the coordinated DMSO ligand. If the population of (3) MCS state is thermally accessible and no (3) MCO can be populated from this state, photoisomerization will be turned off because the (3) MCS excited state is expected to lead to fast radiationless decay back to the original (1) GSS ground state or photodecomposition along the Ru(2+) -S stretching coordinate. On the contrary, if the population of (3) MCS (or (3) MCO ) state is inaccessible, photoinduced S→O isomerization can proceed adiabatically on the potential energy surface of the metal-to-ligand charge transfer excited states ((3) MLCTS →(3) MLCTO ). It is hoped that these results can provide valuable information for the excited state isomerization in photochromic d(6) transition-metal complexes, which is both experimentally and intellectually challenging as a field of study. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Carrier Injection and Transport in Blue Phosphorescent Organic Light-Emitting Device with Oxadiazole Host

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Tien-Lung Chiu

2012-06-01

Full Text Available In this paper, we investigate the carrier injection and transport characteristics in iridium(IIIbis[4,6-(di-fluorophenyl-pyridinato-N,C2']picolinate (FIrpic doped phosphorescent organic light-emitting devices (OLEDs with oxadiazole (OXD as the bipolar host material of the emitting layer (EML. When doping Firpic inside the OXD, the driving voltage of OLEDs greatly decreases because FIrpic dopants facilitate electron injection and electron transport from the electron-transporting layer (ETL into the EML. With increasing dopant concentration, the recombination zone shifts toward the anode side, analyzed with electroluminescence (EL spectra. Besides, EL redshifts were also observed with increasing driving voltage, which means the electron mobility is more sensitive to the electric field than the hole mobility. To further investigate carrier injection and transport characteristics, FIrpic was intentionally undoped at different positions inside the EML. When FIrpic was undoped close to the ETL, driving voltage increased significantly which proves the dopant-assisted-electron-injection characteristic in this OLED. When the undoped layer is near the electron blocking layer, the driving voltage is only slightly increased, but the current efficiency is greatly reduced because the main recombination zone was undoped. However, non-negligible FIrpic emission is still observed which means the recombination zone penetrates inside the EML due to certain hole-transporting characteristics of the OXD.

Determination of mercury in an assortment of dietary supplements using an inexpensive combustion atomic absorption spectrometry technique.

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Levine, Keith E; Levine, Michael A; Weber, Frank X; Hu, Ye; Perlmutter, Jason; Grohse, Peter M

2005-01-01

The concentrations of mercury in forty, commercially available dietary supplements, were determined using a new, inexpensive analysis technique. The method involves thermal decomposition, amalgamation, and detection of mercury by atomic absorption spectrometry with an analysis time of approximately six minutes per sample. The primary cost savings from this approach is that labor-intensive sample digestion is not required prior to analysis, further automating the analytical procedure. As a result, manufacturers and regulatory agencies concerned with monitoring lot-to-lot product quality may find this approach an attractive alternative to the more classical acid-decomposition, cold vapor atomic absorption methodology. Dietary supplement samples analyzed included astragalus, calcium, chromium picolinate, echinacea, ephedra, fish oil, ginger, ginkgo biloba, ginseng, goldenseal, guggul, senna, St John's wort, and yohimbe products. Quality control samples analyzed with the dietary supplements indicated a high level of method accuracy and precision. Ten replicate preparations of a standard reference material (NIST 1573a, tomato leaves) were analyzed, and the average mercury recovery was 109% (2.0% RSD). The method quantitation limit was 0.3 ng, which corresponded to 1.5 ng/g sample. The highest found mercury concentration (123 ng/g) was measured in a concentrated salmon oil sample. When taken as directed by an adult, this product would result in an approximate mercury ingestion of 7 mug per week.

The Cladophora glomerata Enriched by Biosorption Process in Cr(III) Improves Viability, and Reduces Oxidative Stress and Apoptosis in Equine Metabolic Syndrome Derived Adipose Mesenchymal Stromal Stem Cells (ASCs) and Their Extracellular Vesicles (MV's).

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Marycz, Krzysztof; Michalak, Izabela; Kocherova, Ievgeniia; Marędziak, Monika; Weiss, Christine

2017-12-08

This study investigated in vitro effects of freshwater alga Cladophora glomerata water extract enriched during a biosorption process in Cr(III) trivalent chromium and chromium picolinate on adipose-derived mesenchymal stromal stem cells (ASCs) and extracellular microvesicles (MVs) in equine metabolic syndrome-affected horses. Chemical characterisation of natural Cladophora glomerata was performed with special emphasis on: vitamin C, vitamin E, total phenols, fatty acids, free and protein-bound amino acids as well as measured Cr in algal biomass. To examine the influence of Cladophora glomerata water extracts, in vitro viability, oxidative stress factor accumulation, apoptosis, inflammatory response, biogenesis of mitochondria, autophagy in ASCs of EMS and secretory activity manifested by MV release were investigated. For this purpose, various methods of molecular biology and microscopic observations (i.e., immunofluorescence staining, SEM, TEM, FIB observations, mRNA and microRNA expression by RT-qPCR) were applied. The extract of Cladophora glomerata enriched with Cr(III) ions reduced apoptosis and inflammation in ASCs of EMS horses through improvement of mitochondrial dynamics, decreasing of PDK4 expression and reduction of endoplastic reticulum stress. Moreover, it was found, that Cladophora glomerata and Cr(III) induce antioxidative protection coming from enhanced SOD activity Therefore, Cladophora glomerata enriched with Cr(III) ions might become an interesting future therapeutic agent in the pharmacological treatment of EMS horses.

The Cladophora glomerata Enriched by Biosorption Process in Cr(III) Improves Viability, and Reduces Oxidative Stress and Apoptosis in Equine Metabolic Syndrome Derived Adipose Mesenchymal Stromal Stem Cells (ASCs) and Their Extracellular Vesicles (MV’s)

Science.gov (United States)

Marycz, Krzysztof; Marędziak, Monika; Weiss, Christine

2017-01-01

This study investigated in vitro effects of freshwater alga Cladophora glomerata water extract enriched during a biosorption process in Cr(III) trivalent chromium and chromium picolinate on adipose-derived mesenchymal stromal stem cells (ASCs) and extracellular microvesicles (MVs) in equine metabolic syndrome-affected horses. Chemical characterisation of natural Cladophora glomerata was performed with special emphasis on: vitamin C, vitamin E, total phenols, fatty acids, free and protein-bound amino acids as well as measured Cr in algal biomass. To examine the influence of Cladophora glomerata water extracts, in vitro viability, oxidative stress factor accumulation, apoptosis, inflammatory response, biogenesis of mitochondria, autophagy in ASCs of EMS and secretory activity manifested by MV release were investigated. For this purpose, various methods of molecular biology and microscopic observations (i.e., immunofluorescence staining, SEM, TEM, FIB observations, mRNA and microRNA expression by RT-qPCR) were applied. The extract of Cladophora glomerata enriched with Cr(III) ions reduced apoptosis and inflammation in ASCs of EMS horses through improvement of mitochondrial dynamics, decreasing of PDK4 expression and reduction of endoplastic reticulum stress. Moreover, it was found, that Cladophora glomerata and Cr(III) induce antioxidative protection coming from enhanced SOD activity Therefore, Cladophora glomerata enriched with Cr(III) ions might become an interesting future therapeutic agent in the pharmacological treatment of EMS horses. PMID:29292726

The Cladophora glomerata Enriched by Biosorption Process in Cr(III Improves Viability, and Reduces Oxidative Stress and Apoptosis in Equine Metabolic Syndrome Derived Adipose Mesenchymal Stromal Stem Cells (ASCs and Their Extracellular Vesicles (MV’s

Directory of Open Access Journals (Sweden)

Krzysztof Marycz

2017-12-01

Full Text Available This study investigated in vitro effects of freshwater alga Cladophora glomerata water extract enriched during a biosorption process in Cr(III trivalent chromium and chromium picolinate on adipose-derived mesenchymal stromal stem cells (ASCs and extracellular microvesicles (MVs in equine metabolic syndrome-affected horses. Chemical characterisation of natural Cladophora glomerata was performed with special emphasis on: vitamin C, vitamin E, total phenols, fatty acids, free and protein-bound amino acids as well as measured Cr in algal biomass. To examine the influence of Cladophora glomerata water extracts, in vitro viability, oxidative stress factor accumulation, apoptosis, inflammatory response, biogenesis of mitochondria, autophagy in ASCs of EMS and secretory activity manifested by MV release were investigated. For this purpose, various methods of molecular biology and microscopic observations (i.e., immunofluorescence staining, SEM, TEM, FIB observations, mRNA and microRNA expression by RT-qPCR were applied. The extract of Cladophora glomerata enriched with Cr(III ions reduced apoptosis and inflammation in ASCs of EMS horses through improvement of mitochondrial dynamics, decreasing of PDK4 expression and reduction of endoplastic reticulum stress. Moreover, it was found, that Cladophora glomerata and Cr(III induce antioxidative protection coming from enhanced SOD activity Therefore, Cladophora glomerata enriched with Cr(III ions might become an interesting future therapeutic agent in the pharmacological treatment of EMS horses.

Comparison of dilute chemical decontaminations of RAPS-2 full primary heat transport system

International Nuclear Information System (INIS)

Bhat, H.R.

2000-01-01

First ever attempt to decontaminate a full primary system of an Indian PHWR was carried out at Rajasthan Atomic Power Station Unit -2 (RAPS-2) in August 1992. The decontamination factors obtained were moderate. The second attempt to decontaminate the same system was made in February 1996 with a different formulation. The decontamination factors obtained were lesser than the earlier attempt. The details of the two campaigns and their relative merits and demerits are discussed. Some more studies are required to be done before further implementation of the picolonic acid/ascorbic acid formulation. The 1992 attempt was with picolinic acid and ascorbic acid whereas the 1996 attempt was with EDTA + citric acid + ascorbic Acid (EAC ) formulation. A number of lessons were learnt from the first campaign and the improvements were applied during the subsequent decontamination campaigns at Madras Atomic Power station. The total iron removed and various radio nuclides removed are also detailed in the paper. Picolonic acid and ascorbic acid is a better formulation for decontamination of full PHT systems of Indian PHWRs. Use of EAC formulation generates a lot of crud which settles in narrow clearances. Picolonic Acid/Ascorbic Acid formulation does not generate any crud. Decontamination using a single cycle of the picolonic acid/ascorbic acid formulation is more effective than the decontamination using three cycles of EAC formulation. (author)

Evaluation of 90-day Repeated Dose Oral Toxicity, Glycometabolism, Learning and Memory Ability, and Related Enzyme of Chromium Malate Supplementation in Sprague-Dawley Rats.

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Feng, Weiwei; Wu, Huiyu; Li, Qian; Zhou, Zhaoxiang; Chen, Yao; Zhao, Ting; Feng, Yun; Mao, Guanghua; Li, Fang; Yang, Liuqing; Wu, Xiangyang

2015-11-01

Our previous study showed that chromium malate improved the regulation of blood glucose in mice with alloxan-induced diabetes. The present study was designed to evaluate the 90-day oral toxicity of chromium malate in Sprague-Dawley rats. The present study inspected the effect of chromium malate on glycometabolism, glycometabolism-related enzymes, lipid metabolism, and learning and memory ability in metabolically healthy Sprague-Dawley rats. The results showed that all rats survived and pathological, toxic, feces, and urine changes were not observed. Chromium malate did not cause measurable damage on liver, brain, and kidney. The fasting blood glucose, serum insulin, insulin resistance index, C-peptide, hepatic glycogen, glucose-6-phosphate dehydrogenase, glucokinase, total cholesterol, low-density lipoprotein cholesterol, high-density lipoprotein cholesterol, and triglyceride levels of normal rats in chromium malate groups had no significant change when compared with control group and chromium picolinate group under physiologically relevant conditions. The serum and organ content of Cr in chromium malate groups had no significant change compared with control group. No significant changes were found in morris water maze test and superoxide dismutase (SOD), glutathione peroxidase (GSH-Px), and true choline esterase (TChE) activity. The results indicated that supplementation with chromium malate did not cause measurable toxicity and has no obvious effect on glycometabolism and related enzymes, learning and memory ability, and related enzymes and lipid metabolism of female and male rats. The results of this study suggest that chromium malate is safe for human consumption.

Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.

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Gao, Jiali; Major, Dan T; Fan, Yao; Lin, Yen-Lin; Ma, Shuhua; Wong, Kin-Yiu

2008-01-01

A method for incorporating quantum mechanics into enzyme kinetics modeling is presented. Three aspects are emphasized: 1) combined quantum mechanical and molecular mechanical methods are used to represent the potential energy surface for modeling bond forming and breaking processes, 2) instantaneous normal mode analyses are used to incorporate quantum vibrational free energies to the classical potential of mean force, and 3) multidimensional tunneling methods are used to estimate quantum effects on the reaction coordinate motion. Centroid path integral simulations are described to make quantum corrections to the classical potential of mean force. In this method, the nuclear quantum vibrational and tunneling contributions are not separable. An integrated centroid path integral-free energy perturbation and umbrella sampling (PI-FEP/UM) method along with a bisection sampling procedure was summarized, which provides an accurate, easily convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. In the ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT), these three aspects of quantum mechanical effects can be individually treated, providing useful insights into the mechanism of enzymatic reactions. These methods are illustrated by applications to a model process in the gas phase, the decarboxylation reaction of N-methyl picolinate in water, and the proton abstraction and reprotonation process catalyzed by alanine racemase. These examples show that the incorporation of quantum mechanical effects is essential for enzyme kinetics simulations.

Effect of pH on the release of radionuclides and chelating agents from cement-solidified decontamination ion-exchange resins collected from operating nuclear power stations

International Nuclear Information System (INIS)

McIsaac, C.V.; Akers, D.W.; McConnell, J.W.

1991-06-01

Data are presented on the physical stability and leachability of radionuclides and chelating agents from cement-solidified decontamination ion-exchange resin wastes collected from two operating commercial light water reactors. Small-scale waste--form specimens collected during solidifications performed at the Brunswick Steam Electric Plant Unit 1 and at the James A. FitzPatrick Nuclear Power Station were leach-tested and subjected to compressive strength testing in accordance with the Nuclear Regulatory Commission's ''Technical Position on Waste Form'' (Revision 1). Samples of untreated resin waste collected from each solidification vessel before the solidification process were analyzed for concentrations of radionuclides, selected transition metals, and chelating agents to determine the quantities of these chemicals in the waste-form specimens. The chelating agents included oxalic, citric, and picolinic acids. In order to determine the effect of leachant chemical composition and pH on the stability and leachability of the waste forms, waste-form specimens were leached in various leachants. Results of this study indicate that differences in pH do not affect releases from cement-solidified decontamination ion-exchange resin waste forms, but that differences in leachant chemistry and the presence of chelating agents may affect the releases of radionuclides and chelating agents. Also, this study indicates that the cumulative releases of radionuclides and chelating agents are similar for waste- form specimens that decomposed and those that retained their general physical form. 36 refs., 60 figs., 28 tabs

Preparations and characterization of some carbonyl-(1-cyanoethyl)ruthenium(II) complexes

Energy Technology Data Exchange (ETDEWEB)

Hiraki, Katsuma; Ochi, Naoyuki; Kitamura, Tsuneyuki; Sasada, Yoko [Nagasaki Univ. (Japan); Shinoda, Sumio

1982-08-01

A hydridoruthenium(II) complex (RuClH(CO)(PPh/sub 3/)/sub 3/) reacted easily with acrylonitrile and fumaronitrile to give chloro-bridged binuclear (1-cyanoethyl)ruthenium(II) complexes, ((Ru(MeCHCN)Cl(CO)(PPh/sub 3/)/sub 2/)/sub 2/) (2) and ((Ru(NCCH/sub 2/CHCN)Cl(CO)(PPh/sub 3/)/sub 2/)/sub 2/), respectively. Complex 2 reacted with 4-picoline (pic), Na(BHPz/sub 3/) (Pz = 1-pyrazolyl), Na(BPz/sub 4/), and Na(Et/sub 2/NCS/sub 2/).3H/sub 2/O to afford the corresponding (1-cyanoethyl)ruthenium(II) complexes, ((Ru(MeCHCN)Cl(CO)(pic)(PPh/sub 3/))/sub 2/) (3), (Ru(MeCHCN)(BHPz/sub 3/)(CO)(PPh/sub 3/)) (accompanied by a small amount of (Ru/sub 2/(MeCHCN)/sub 2/Cl(BHPz/sub 3/)(CO)/sub 2/(PPh/sub 3/)/sub 4/)), (Ru/sub 2/(MeCHCN)/sub 2/Cl(BPz/sub 4/)(CO)/sub 2/(PPh/sub 3/)/sub 2/), and Na(Ru(MeCHCN)Cl(Et/sub 2/NCS/sub 2/)(CO)(PPh/sub 3/)), respectively. Complex 3 reacted with thallium (I) acetylacetonate (Tl(acac)), resulting in the formation of ((Ru(MeCHCN)(acac)(CO)(PPh/sub 3/))/sub 2/) and (Ru(MeCHCN)(acad)(CO)(pic)(PPh/sub 3/)). These new complexes were characterized by means of elemental analysis and spectroscopic data. The diastereoisomerism was also discussed as regards these (1-cyanoethyl)ruthenium(II) complexes.

The Effect of Tianmai Xiaoke Pian on Insulin Resistance through PI3-K/AKT Signal Pathway

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Nana Wang

2016-01-01

Full Text Available In the clinical setting, given the potential adverse effects of thiazolidinediones and biguanides, we often have difficulty in treatment that no other insulin sensitizers are available for use in type 2 diabetic mellitus (T2DM patients. Tianmai Xiaoke Pian (TMXKP is a traditional Chinese medicine tablet, which is comprised of chromium picolinate, Tianhuafen, Maidong, and Wuweizi. To understand its mechanism of action on insulin resistance, TMXKP (50 mg/kg orally was tested in T2DM rats (induced by a high-fat diet and streptozotocin. Eight weeks later, fasting blood glucose (FBG and oral glucose tolerance tests (OGTT were performed. Area under the curve (AUC and homeostatic model assessment of insulin resistance (HOMA-IR were calculated, and PI3-K/AKT signal pathway-related genes and proteins were tested by reverse transcription-polymerase chain reaction (RT-PCR and western blot analysis in muscle, adipose, and liver tissues, respectively. TMXKP significantly reduced FBG, OGTT, AUC, and HOMA-IR in diabetic rats P<0.05. Furthermore, we also observed that TMXKP could significantly decrease IRS-1, IRS-2, PI3-K p85α, and AKT2 gene expression and also IRS-1, IRS-2, PI3-K, AKT2, and p-AKT2 protein expression levels P<0.05 in diabetic rats. These findings confirm that TMXKP can alleviate insulin resistance in T2DM rats through the PI3K/AKT pathway. Thus TMXKP appears to be a promising insulin sensitizer.

Properties and synthesis of milrinone

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Mirković Jelena M.

2013-01-01

Full Text Available Milrinone, 1,6-dihydro-2-methyl-6-oxo-[3,4’-bipyridine]-5-carbonitrile, is a positive inotropic cardiotonic agent with vasodilator properties that acts as selective phosphodiesterase 3 inhibitor in cardiac and vascular smooth muscle. Trade names of milrinone are Primacor, Corotrop, Corotrope, and Milrila. Milrinone, an amrinone derivative, is 20 to 50 times more active than amrinone and possesses reduced propensity to side effects. The use of milrinone has created controversy in the medical as the result of increased mortality rate among patients that received high amounts of milrinone in oral form. Reaserch show that it can be benifitial for patients with severe congestive heart failure when used as short-time intravenous therapy. Milrinone properties, stability, as well as mechanism of action and synthesis under laboratory and industry conditions have been described in this paper. For industrial purposes milrinone is synthesized by condensation of cyanoacetamide with 4-(dimethylamino-3-(4-pyridinyl-3-buten-2-one and 4-ethoxy-3-(4-pyridinyl-3-buten-2-one in presence of a base, or by the reaction of 1-(4-pyridinyl- 2-propanone with ethoxymethylenmalononitrile or 4-alkoxy-3-(4-pyridinyl-3-buten-2-one with malononitrile without the use of external base. The starting compound for these syntheses is 4-picoline. Alternative synthesis of milrinone starts from 2-methyl-3-(4-pyridylidiene-1,1,5-tricyano-1,4-pentadiene-5-carboxamide and 2-methyl-6-oxo-1,6-dihydro-3,4’-bipyridine-5-carboxamide. Lastly, methods for milrinone synthesis in laboratory, injection preparation and purification have been summarized.

Design, characterization and applications of new ionic liquid matrices for multifunctional analysis of biomolecules: a novel strategy for pathogenic bacteria biosensing.

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Abdelhamid, Hani Nasser; Khan, M Shahnawaz; Wu, Hui-Fen

2014-05-01

The design, preparation and performance for novel UV-light absorbing (room-temperature) ionic liquid matrices (UV-RTILMs) for matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported. A series of UV-RTILMs was prepared by ultrasonication of equimolar of acid (mefenamic acid) and bases (aniline (ANI), pyridine (Pyr), dimethyl aniline (DMANI) and 2-methyl picoline (2-P)). The UV-RTILMs have not only significant absorbance at the desired wavelength (337 nm of the N2 Laser), but also have available protons that can easily undergo proton transfer reactions to ionize the target molecules. The novel UV-RTILMs have the ability to ionize different and wide classes of compounds such as drugs, carbohydrate, and amino acids. The new UV-RTILMs series have been successfully and selectively applied for biosensing the lysates of pathogenic bacteria in the presence of the cell macromolecules. A new strategy for biosensing pathogens was presented via sensing the pathogens lysate in the cell suspension. The new materials can effectively detect the bacterial toxins without separation or any pretreatment. They offered excellent ionization of labile oligosaccharides with protonated peaks. They could significantly enhance the analyte signals, produce homogeneous spotting, reducing spot-to-spot variation, excellent vacuum stability, higher ion peak intensity, and wide application possibility. The physical parameters such as molar refractivity, molar volume, parachor, surface tension, density and polarizability were calculated and tabulated. The new UV-RTILMs could offer excellent reproducibility and great repeatability and they are promising matrices for wide applications on MALDI-MS. Copyright © 2014. Published by Elsevier B.V.

Impact of chromium dinicocysteinate supplementation on inflammation, oxidative stress, and insulin resistance in type 2 diabetic subjects: an exploratory analysis of a randomized, double-blind, placebo-controlled study

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Zainulabedin M. Saiyed

2016-09-01

Full Text Available Background: Chromium dinicocysteinate (CDNC is a unique chromium complex consisting of chromium, niacin, and L-cysteine. Previous preclinical and clinical studies support the safety and efficacy of CDNC in modulating oxidative stress, vascular inflammation, and glycemia in type 2 diabetes. Objective: Herein, we report the results of several exploratory analyses conducted on type 2 diabetic subjects who previously participated in a 3-month randomized, double-blind, placebo-controlled trial and were treated with only metformin as standard diabetic care in addition to receiving the test supplementations. Design: Results from 43 metformin users, who were randomly assigned to receive either placebo (P, n=13, chromium picolinate (CP, 400 µg elemental Cr3+/day, n=12, or CDNC (400 µg elemental Cr3+/day, n=18, were analyzed for blood markers of vascular inflammation, insulin resistance, and oxidative stress at baseline and at 3 months of supplementation. Results: A statistically significant decrease in insulin resistance in the CDNC-supplemented cohort compared to placebo (p=0.01 was observed at 3 months. The CDNC group also demonstrated a significant reduction in insulin levels (p=0.03, protein carbonyl (p=0.02, and in TNF-α (p=0.03 compared to the placebo group. The CP group only showed a significant reduction in protein carbonyl levels (p=0.03 versus placebo. Conclusions: When controlling for diabetes medication, CDNC supplementation showed beneficial effects on blood markers of vascular inflammation, insulin resistance, and oxidative stress compared to placebo. The findings suggest that CDNC supplementation has potential as an adjunct therapy for individuals with type 2 diabetes.

Efficient single light-emitting layer pure blue phosphorescent organic light-emitting devices with wide gap host and matched interlayer

Energy Technology Data Exchange (ETDEWEB)

Jiang, Yunlong; Zhou, Liang, E-mail: zhoul@ciac.ac.cn; Cui, Rongzhen; Li, Yanan; Zhao, Xuesen; Zhang, Hongjie, E-mail: hongjie@ciac.ac.cn

2015-12-15

In this work, we report the highly efficient pure blue electroluminescent (EL) device based on bis[(3,5-difluoro-4-cyanophenyl)pyridine]picolinate iridium(III) (FCNIrpic) doped 9-(4-tert-Butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole (CzSi) film. The matched energy levels of FCNIrpic and CzSi are helpful in facilitating the trapping of carriers, while the high triplet energy of CzSi can well avoid the undesired reverse energy transfer. More importantly, the injection of holes was further accelerated by inserting 5 nm 4,4′,4″-Tri(9-carbazoyl)triphenylamine (TcTa) film between hole transport layer and lighting-emitting layer (EML) as interlayer. Consequently, EL performances were significantly enhanced attributed to wider recombination zone and better balance of holes and electrons. Interestingly, single-EML device displayed higher performances than those of double-EMLs device. Finally, pure blue EL device with the structure of ITO/MoO{sub 3} (3 nm)/TAPC (40 nm)/TcTa (5 nm)/FCNIrpic (20%): CzSi (30 nm)/TmPyPB (40 nm)/LiF (1 nm)/Al (100 nm) realized the maximum brightness, current efficiency, power efficiency and external quantum efficiency up to 12,505 cd/m{sup 2}, 36.20 cd/A, 28.42 lm/W and 16.9%, respectively. Even at the high brightness of 1000 cd/m{sup 2}, current efficiency and external quantum efficiency up to 17.40 cd/A and 8.1%, respectively, can be retained by the same device.

Evidence for an imidazoline by-product from glycans using tandem mass spectrometry.

Science.gov (United States)

Duff, Robert J; Smith, Elaine; Li, Wenzhou; Fodor, Szilan

2017-06-09

Herein is reported the separation and identification of a previously unknown imidazoline by-product originating from the fluorescent labeling procedure when applied to enzymatically released N-linked glycans of a human IgG1. The imidazoline by-product was generated via the reductive amination procedure with either sodium cyanoborohydride or 2-picoline borane. Using ultra performance liquid chromatography (UPLC) in conjunction with hydrophilic interaction-based chromatography (HILIC), the 2-aminobenzoic acid (2-AA)-labeled glycans were well-resolved from imidazoline by-products to facilitate direct identification utilizing electrospray ionization mass spectrometry (ESI-MS) with fragmentation. It was found that this minor species (∼2%) was 18.0105u less than the neighboring peak GlcNAc 2 Man 3 GlcNAc 2 Fuc peak, abbreviated as A2G0F at 1582.5899u. While this mass loss corresponds to the mass of a water molecule, the molecular location of loss of water was not straightforward in consideration of the biantennary A2G0F structure. Model studies were carried out using A2G0F standard and N-acetyllactosamine to identify the impurity as an imidazoline ring structure located at the reducing end of the glycan as confirmed by high resolution mass fragment ions. Imidazoline content decreased when the reductant concentration was increased. To conclude, evidence for the imidazoline structure was accomplished through high resolution, high accuracy mass spectrometry (HRAM), and experiments showing chemical susceptibility and isotopically labeled tracers. This study is the first to identify these minor species which likely impact all N-acetylglucosamine-type N-linked glycans from biologics. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical and biological characterization of wastewater generated from hydrothermal liquefaction of Spirulina.

Science.gov (United States)

Pham, Mai; Schideman, Lance; Scott, John; Rajagopalan, Nandakishore; Plewa, Michael J

2013-02-19

Hydrothermal liquefaction (HTL) is an attractive method for converting wet biomass into petroleum-like biocrude oil that can be refined to make petroleum products. This approach is advantageous for conversion of low-lipid algae, which are promising feedstocks for sustainable large-scale biofuel production. As with natural petroleum formation, the water in contact with the produced oil contains toxic compounds. The objectives of this research were to: (1) identify nitrogenous organic compounds (NOCs) in wastewater from HTL conversion of Spirulina; (2) characterize mammalian cell cytotoxicity of specific NOCs, NOC mixture, and the complete HTL wastewater (HTL-WW) matrix; and (3) investigate mitigation measures to reduce toxicity in HTL-WW. Liquid-liquid extraction and nitrogen-phosphorus detection was used in conjunction with gas chromatography-mass spectrometry (GC-MS), which detected hundreds of NOCs in HTL-WW. Reference materials for nine of the most prevalent NOCs were used to identify and quantify their concentrations in HTL-WW. Mammalian cell cytotoxicity of the nine NOCs was quantified using a Chinese hamster ovary (CHO) cell assay, and the descending rank order for cytotoxicity was 3-dimethylamino-phenol > 2,2,6,6-tetramethyl-4-piperidone > 2,6-dimethyl-3-pyridinol > 2-picoline > pyridine > 1-methyl-2-pyrrolidinone > σ-valerolactam > 2-pyrrolidinone > ε-caprolactam. The organic mixture extracted from HTL-WW expressed potent CHO cell cytotoxic activity, with a LC(50) at 7.5% of HTL-WW. Although the toxicity of HTL-WW was substantial, 30% of the toxicity was removed biologically by recycling HTL-WW back into algal cultivation. The remaining toxicity of HTL-WW was mostly eliminated by subsequent treatment with granular activated carbon.

Dietary supplements for body-weight reduction: a systematic review.

Science.gov (United States)

Pittler, Max H; Ernst, Edzard

2004-04-01

Compliance with conventional weight-management programs is notoriously poor, and a plethora of over-the-counter slimming aids are sold with claims of effectiveness. The objective of the study was to assess the evidence from rigorous clinical trials, systematic reviews, and meta-analyses on the effectiveness of dietary supplements in reducing body weight. The study was a systematic review. Literature searches were conducted on Medline, Embase, Amed, Cinahl, and the Cochrane Library until March 2003. Hand searches of medical journals, the authors' own files, and bibliographies of identified articles were conducted. There were no restrictions regarding the language of publication. The screening of studies, selection, validation, data extraction, and the assessment of methodologic quality were performed independently by the 2 reviewers. To be included, trials were required to be randomized and double-blind. Systematic reviews and meta-analyses of dietary supplements were included if they were based on the results of randomized, double-blind trials. Five systematic reviews and meta-analyses and 25 additional trials were included and reviewed. Data on the following dietary supplements were identified: chitosan, chromium picolinate, Ephedra sinica, Garcinia cambogia, glucomannan, guar gum, hydroxy-methylbutyrate, plantago psyllium, pyruvate, yerba maté, and yohimbe. The reviewed studies provide some encouraging data but no evidence beyond a reasonable doubt that any specific dietary supplement is effective for reducing body weight. The only exceptions are E. sinica- and ephedrine-containing supplements, which have been associated with an increased risk of adverse events. The evidence for most dietary supplements as aids in reducing body weight is not convincing. None of the reviewed dietary supplements can be recommended for over-the-counter use.

Amide-N-oxide heterosynthon and amide dimer homosynthon in cocrystals of carboxamide drugs and pyridine N-oxides.

Science.gov (United States)

Babu, N Jagadeesh; Reddy, L Sreenivas; Nangia, Ashwini

2007-01-01

The carboxamide-pyridine N-oxide heterosynthon is sustained by syn(amide)N-H...O-(oxide) hydrogen bond and auxiliary (N-oxide)C-H...O(amide) interaction (Reddy, L. S.; Babu, N. J.; Nangia, A. Chem. Commun. 2006, 1369). We evaluate the scope and utility of this heterosynthon in amide-containing molecules and drugs (active pharmaceutical ingredients, APIs) with pyridine N-oxide cocrystal former molecules (CCFs). Out of 10 cocrystals in this study and 7 complexes from previous work, amide-N-oxide heterosynthon is present in 12 structures and amide dimer homosynthon occurs in 5 structures. The amide dimer is favored over amide-N-oxide synthon in cocrystals when there is competition from another H-bonding functional group, e.g., 4-hydroxybenzamide, or because of steric factors, as in carbamazepine API. The molecular organization in carbamazepine.quinoxaline N,N'-dioxide 1:1 cocrystal structure is directed by amide homodimer and anti(amide)N-H...O-(oxide) hydrogen bond. Its X-ray crystal structure matches with the third lowest energy frame calculated in Polymorph Predictor (Cerius(2), COMPASS force field). Apart from generating new and diverse supramolecular structures, hydration is controlled in one substance. 4-Picoline N-oxide deliquesces within a day, but its cocrystal with barbital does not absorb moisture at 50% RH and 30 degrees C up to four weeks. Amide-N-oxide heterosynthon has potential utility in both amide and N-oxide type drug molecules with complementary CCFs. Its occurrence probability in the Cambridge Structural Database is 87% among 27 structures without competing acceptors and 78% in 41 structures containing OH, NH, H(2)O functional groups.

Effects of different sources of dietary chromium on meat quality and amino acid content of broilers%不同铬源对肉鸡肌肉品质及氨基酸含量的影响

Institute of Scientific and Technical Information of China (English)

唐利华; 方热军; 周汝顺; 张凯; 胡龙昌

2013-01-01

Chromium as a beneficial element was occasionally indicated by more and more investigations reported.Trivalent chromium Cr( Ⅲ ) has been accepted as an essential element for 30 years which can affect the growth performance,carcass characteristics,pork quality,reproduction and tissue deposition of domestic animals that were fed with Cr( Ⅲ ) supplementation in diet through changes protein,nucleic acid and lipid metabolism.Chromium is found in GTF-like forms in the livers of mammals given inorganic chromium,but this could reflect the manifold effects of insulin rather than further biochemical roles for chromium.Moreover some other reports indicated Cr( Ⅲ ) appeared not to be an essential element,and its potential effects on domestic animals might be considered pharmacological.Limited research is available for addressing the effect of Cr on meat quality of broiler elucidated by determining the fiber muscle density,total antioxidant capacity and amino acid content.Thus,the purpose of present experiment was to evaluate the effects of three different sources of chromium (yeast chromium,chromium picolinate and methionine chromium) on meat quality and amino acid content of Arbor Acres (AA) broilers. Seven hundred and ninety-two one-day-old Arbor Acres broilers were randomly allocated to six dietary treatments.Each treatment had four replicates (cages) with thirty three broilers per cage,respectively.The dietary treatments were: 1) corn-soybean meal basal (B: according to NRC,1994),2) B + 0.2 mg/kg of Cr (as yeast chromium),3) B + 0.2 mg/kg of Cr (as chromium picolinate) ,4) B + 0.1 mg/kg (as methionine chromium; I ),5) B + 0.2 mg/kg (as methionine chromium; Ⅱ ),6) B + 0.6 mg/kg of Cr (as methionine chromium; Ⅲ)- The fiber density,fiber areas and its antioxidant index of leg muscle,as well as amino acids content of muscle were determined. The results showed that the fiber density of breast muscle and fiber areas of leg muscle were reduced (P 0.05) by treatments

Effects of Supplemental Chromium Source and Concentration on Growth, Carcass Characteristics, and Serum Lipid Parameters of Broilers Reared Under Normal Conditions.

Science.gov (United States)

Zheng, Cancai; Huang, Yanling; Xiao, Fang; Lin, Xi; Lloyd, Karen

2016-02-01

An experiment was conducted to investigate the effects of dietary chromium (Cr) source and concentration on growth performance, carcass traits, and some serum lipid parameters of broilers under normal rearing conditions for 42 days. A total of 252 1-day-old Cobb 500 commercial female broilers were randomly allotted by body weight (BW) to one of six replicate cages (six broilers per cage) for each of seven treatments in a completely randomized design involved in a 2 × 3 factorial arrangement of treatments with three Cr sources (Cr propionate (CrPro), Cr picolinate (CrPic), Cr chloride (CrCl3)) and two concentrations of added Cr (0.4 and 2.0 mg of Cr/kg) plus a Cr-unsupplemented control diet. The results showed that dietary Cr supplementation tended to increase the breast muscle percentage compared with the Cr-unsupplemented control group (P = 0.0784), while Cr from CrPic tended to have higher breast muscle percentage compared with Cr from CrCl3 (P = 0.0881). Chromium from CrPic also tended to increase the breast intramuscular fat (IMF) compared with Cr from CrCl3 (P = 0.0648). In addition, supplementation of 0.4 mg/kg Cr tended to decrease low-density lipoprotein cholesterol (LDL-C) (P = 0.0614). Compared with the control group, broilers fed Cr-supplemented diets had higher triglyceride (TG) (P = 0.0129) regardless of Cr source and Cr concentration. Chromium from CrPro and CrPic had lower total cholesterol (TC) compared with Cr from CrCl3 (P = 0.0220). These results indicate that dietary supplementation of Cr has effects on carcass characteristics and serum lipid parameters of broilers under normal rearing conditions, while supplementation of organic Cr can improve carcass characteristics and reduce the cholesterol content in serum.

In Schizophrenia, Depression, Anxiety, and Physiosomatic Symptoms Are Strongly Related to Psychotic Symptoms and Excitation, Impairments in Episodic Memory, and Increased Production of Neurotoxic Tryptophan Catabolites: a Multivariate and Machine Learning Study.

Science.gov (United States)

Kanchanatawan, Buranee; Thika, Supaksorn; Sirivichayakul, Sunee; Carvalho, André F; Geffard, Michel; Maes, Michael

2018-04-01

The depression, anxiety and physiosomatic symptoms (DAPS) of schizophrenia are associated with negative symptoms and changes in tryptophan catabolite (TRYCAT) patterning. The aim of this study is to delineate the associations between DAPS and psychosis, hostility, excitation, and mannerism (PHEM) symptoms, cognitive tests as measured using the Consortium to Establish a Registry for Alzheimer's Disease (CERAD) and IgA/IgM responses to TRYCATs. We included 40 healthy controls and 80 participants with schizophrenia. Depression and anxiety symptoms were measured with The Hamilton Depression (HAM-D) and Anxiety (HAM-A) Rating Scales, respectively. Physiosomatic symptoms were assessed with the Fibromyalgia and Chronic Fatigue Syndrome Rating Scale (FF). Negative symptoms as well as CERAD tests, including Verbal Fluency Test (VFT), Mini-Mental State Examination (MMSE), Word List Memory (WLM), and WL Delayed Recall were measured, while ratios of IgA responses to noxious/protective TRYCATs (IgA NOX_PRO) were computed. Schizophrenia symptoms consisted of two dimensions, a first comprising PHEM and negative symptoms, and a second DAPS symptoms. A large part of the variance in DAPS was explained by psychotic symptoms and WLM. Of the variance in HAM-D, 58.9% was explained by the regression on excitement, IgA NOX_PRO ratio, WLM, and VFT; 29.9% of the variance in HAM-A by psychotic symptoms and IgA NOX/PRO; and 45.5% of the variance in FF score by psychotic symptoms, IgA NOX/PRO, and WLM. Neural network modeling shows that PHEM, IgA NOX_PRO, WLM, and MMSE are the dominant variables predicting DAPS. DAPS appear to be driven by PHEM and negative symptoms coupled with impairments in episodic memory, especially false memory creation, while all symptom dimension and cognitive impairments may be driven by an increased production of noxious TRYCATs, including picolinic, quinolinic, and xanthurenic acid.

BACTERIA OF NOCАRDIA GENUS AS OBJECT OF BIOTECHNOLOGY

Directory of Open Access Journals (Sweden)

T. P. Pirog

2013-06-01

Full Text Available The literature and own experimental data, concerning biotechnological potential of bacteria of Nocаrdia genus are given. The use of these microorganisms as destructors of aliphatic (octane, pentadecanol, eicosane, octacosane, hexatriacontane, pristane, aromatic (phenol, octylbenzene, phenanthrene, anthracene, nitroaromatic (4-nitrophenol, heterocyclic (pyridine, ?-picoline hydrocarbons is described. The prospects of use of Nocаrdia in processes of substances bio-transformation (production of daidzein, ibuprofen, nicotinic acid and synthesis of some valuable metabolites, in particular antimicrobial and cytotoxic substances (ayamycin, transvalencin А, nocathiacin, brasilibactin A, nocaracins etc. as well as substances with surface-active and emulsifying properties are discussed. The own experimental data concerning optimization of cultivation conditions and intensification of surfactant synthesis on glycerol (byproduct of biodiesel production by oil oxidizing bacteria strain Nocardia vaccinii K-8, that was isolated from oil polluted samples of soil are presented. The ability of strain K-8 to assimilate some aromatic compounds (phenol, benzene, toluene, naphthalene, hexachlorbenzene, sulfanilic acid and N-phenylanthranilic acid, 0.3–0.5% was determined. It was shown that the highest oil destruction degree (94–98% in polluted water (2.6 g/L was achieved in the case of treatment with suspension of N. vaccinii K-8 cells (9.8 x 107 CFU/mL after 30 days, while surfactant preparation of post fermentative cultural liquid (100–300 mL/kg was more effective for remediation (destruction of 74–83% of oil of oil polluted soil (20 g/kg. It was determined that surfactants (0.085–0.85 mg/mL and other exocellular metabolites of strain К-8 possess antimicrobial activity against some phytopathogen bacteria of Pseudomonas and Xanthomonas strains. In this connection the quantity of living cells decreased by 80–100% after the treatment with the

Nutrition, pharmacological and training strategies adopted by six bodybuilders: case report and critical review

Directory of Open Access Journals (Sweden)

Paulo Gentil

2017-03-01

Full Text Available The purpose of this study was to report and analyze the practices adopted by bodybuilders in light of scientific evidence and to propose evidence-based alternatives. Six (four male and two female bodybuilders and their coaches were directly interviewed. According to the reports, the quantity of anabolic steroids used by the men was 500–750 mg/week during the bulking phase and 720–1160 mg during the cutting phase. The values for women were 400 and 740 mg, respectively. The participants also used ephedrine and hydrochlorothiazide during the cutting phase. Resistance training was designed to train each muscle once per week and all participants performed aerobic exercise in the fasted state in order to reduce body fat. During the bulking phase, bodybuilders ingested ~2.5 g of protein/kg of body weight. During the cutting phase, protein ingestion increased to ~3 g/kg and carbohydrate ingestion decreased by 10–20%. During all phases, fat ingestion corresponded to ~15% of the calories ingested. The supplements used were whey protein, chromium picolinate, omega 3 fatty acids, branched chain amino acids, poly-vitamins, glutamine and caffeine. The men also used creatine in the bulking phase. In general, the participants gained large amounts of fat-free mass during the bulking phase; however, much of that fat-free mass was lost during the cutting phase along with fat mass. Based on our analysis, we recommend an evidence-based approach by people involved in bodybuilding, with the adoption of a more balanced and less artificial diet. One important alert should be given for the combined use of anabolic steroids and stimulants, since both are independently associated with serious cardiovascular events. A special focus should be given to revisiting resistance training and avoiding fasted cardio in order to decrease the reliance on drugs and thus preserve bodybuilders’ health and integrity.

Design, characterization and applications of new ionic liquid matrices for multifunctional analysis of biomolecules: A novel strategy for pathogenic bacteria biosensing

International Nuclear Information System (INIS)

Abdelhamid, Hani Nasser; Khan, M Shahnawaz; Wu, Hui-Fen

2014-01-01

Highlights: • Design and characterize novel UV absorbed-ionic liquid matrices series. • Apply the new series for different analytes. • Introduce a novel methodology for pathogenic bacteria biosensing. • Tabulate the physical parameters of the new series. - Abstract: The design, preparation and performance for novel UV-light absorbing (room-temperature) ionic liquid matrices (UV-RTILMs) for matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported. A series of UV-RTILMs was prepared by ultrasonication of equimolar of acid (mefenamic acid) and bases (aniline (ANI), pyridine (Pyr), dimethyl aniline (DMANI) and 2-methyl picoline (2-P)). The UV-RTILMs have not only significant absorbance at the desired wavelength (337 nm of the N 2 Laser), but also have available protons that can easily undergo proton transfer reactions to ionize the target molecules. The novel UV-RTILMs have the ability to ionize different and wide classes of compounds such as drugs, carbohydrate, and amino acids. The new UV-RTILMs series have been successfully and selectively applied for biosensing the lysates of pathogenic bacteria in the presence of the cell macromolecules. A new strategy for biosensing pathogens was presented via sensing the pathogens lysate in the cell suspension. The new materials can effectively detect the bacterial toxins without separation or any pretreatment. They offered excellent ionization of labile oligosaccharides with protonated peaks. They could significantly enhance the analyte signals, produce homogeneous spotting, reducing spot-to-spot variation, excellent vacuum stability, higher ion peak intensity, and wide application possibility. The physical parameters such as molar refractivity, molar volume, parachor, surface tension, density and polarizability were calculated and tabulated. The new UV-RTILMs could offer excellent reproducibility and great repeatability and they are promising matrices for wide applications on MALDI-MS

Design, characterization and applications of new ionic liquid matrices for multifunctional analysis of biomolecules: A novel strategy for pathogenic bacteria biosensing

Energy Technology Data Exchange (ETDEWEB)

Abdelhamid, Hani Nasser [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Department of Chemistry, Assuit University, Assuit, 71515 (Egypt); Khan, M Shahnawaz [Doctoral Degree Program in Marine Biotechnology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Wu, Hui-Fen, E-mail: hwu@faculty.nsysu.edu.tw [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); School of Pharmacy, College of Pharmacy, Kaohsiung Medical University, Kaohsiung, 800, Taiwan (China); Institute of Medical Science and Technology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Doctoral Degree Program in Marine Biotechnology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China); Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung, 804, Taiwan (China)

2014-05-01

Highlights: • Design and characterize novel UV absorbed-ionic liquid matrices series. • Apply the new series for different analytes. • Introduce a novel methodology for pathogenic bacteria biosensing. • Tabulate the physical parameters of the new series. - Abstract: The design, preparation and performance for novel UV-light absorbing (room-temperature) ionic liquid matrices (UV-RTILMs) for matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported. A series of UV-RTILMs was prepared by ultrasonication of equimolar of acid (mefenamic acid) and bases (aniline (ANI), pyridine (Pyr), dimethyl aniline (DMANI) and 2-methyl picoline (2-P)). The UV-RTILMs have not only significant absorbance at the desired wavelength (337 nm of the N{sub 2} Laser), but also have available protons that can easily undergo proton transfer reactions to ionize the target molecules. The novel UV-RTILMs have the ability to ionize different and wide classes of compounds such as drugs, carbohydrate, and amino acids. The new UV-RTILMs series have been successfully and selectively applied for biosensing the lysates of pathogenic bacteria in the presence of the cell macromolecules. A new strategy for biosensing pathogens was presented via sensing the pathogens lysate in the cell suspension. The new materials can effectively detect the bacterial toxins without separation or any pretreatment. They offered excellent ionization of labile oligosaccharides with protonated peaks. They could significantly enhance the analyte signals, produce homogeneous spotting, reducing spot-to-spot variation, excellent vacuum stability, higher ion peak intensity, and wide application possibility. The physical parameters such as molar refractivity, molar volume, parachor, surface tension, density and polarizability were calculated and tabulated. The new UV-RTILMs could offer excellent reproducibility and great repeatability and they are promising matrices for wide applications on MALDI-MS.

Simultaneous determination of dihydrotestosterone and its metabolites in mouse sera by LC-MS/MS with chemical derivatization.

Science.gov (United States)

Gorityala, Shashank; Yang, Shuming; Montano, Monica M; Xu, Yan

2018-07-15

Androgens play a vital role in prostate cancer development, and their elimination and blockade are essential in the disease management. DHT is the key ligand for androgen receptor (AR) in the prostate. It is locally synthesized from testosterone. In the prostate, DHT is predominantly metabolized to α-diol and β-diol. Recent studies indicate that impaired DHT catabolism is associated with prostate cancer, signifying the necessity of a sensitive quantitative method for the determination of DHT and its metabolites. In this work, an LC-MS/MS method for the simultaneous quantification of DHT and its metabolites was developed and validated. Steroid-free sera were prepared and used for the preparation of sera calibrators and quality controls (QCs). DHT and its metabolites along with their respective stable heavy isotope labeled analytes representing internal standards were first extracted with methyl tertiary-butyl ether (MTBE) and derivatized with picolinic acid (PA). The derivatized analytes were then extracted again with MTBE, dried under nitrogen and reconstituted in the mobile phase (80% methanol and 0.2% formic acid in water). Baseline chromatographic separation of the derivatized analytes was achieved isocratically on XTerra C18 column (2.1 × 100 mm) using the mobile phase at a flow rate of 0.25 mL/min. Quantitation was performed using multiple-reaction-monitoring mode with positive electrospray ionization. The method has calibration ranges from 0.0500 ng/mL to 50.0 ng/mL for DHT and its two metabolites with acceptable assay precision, accuracy, recovery, and matrix factor. It was applied to the determination of DHT and its metabolites in an animal study. Copyright © 2018 Elsevier B.V. All rights reserved.

Involvement of the kynurenine pathway in human glioma pathophysiology.

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Seray Adams

Full Text Available The kynurenine pathway (KP is the principal route of L-tryptophan (TRP catabolism leading to the production of kynurenine (KYN, the neuroprotectants, kynurenic acid (KYNA and picolinic acid (PIC, the excitotoxin, quinolinic acid (QUIN and the essential pyridine nucleotide, nicotinamide adenine dinucleotide (NAD(+. The enzymes indoleamine 2,3-dioxygenase-1 (IDO-1, indoleamine 2,3-dioxygenase-2 (IDO-2 and tryptophan 2,3-dioxygenase (TDO-2 initiate the first step of the KP. IDO-1 and TDO-2 induction in tumors are crucial mechanisms implicated to play pivotal roles in suppressing anti-tumor immunity. Here, we report the first comprehensive characterisation of the KP in 1 cultured human glioma cells and 2 plasma from patients with glioblastoma (GBM. Our data revealed that interferon-gamma (IFN-γ stimulation significantly potentiated the expression of the KP enzymes, IDO-1 IDO-2, kynureninase (KYNU, kynurenine hydroxylase (KMO and significantly down-regulated 2-amino-3-carboxymuconate semialdehyde decarboxylase (ACMSD and kynurenine aminotransferase-I (KAT-I expression in cultured human glioma cells. This significantly increased KP activity but significantly lowered the KYNA/KYN neuroprotective ratio in human cultured glioma cells. KP activation (KYN/TRP was significantly higher, whereas the concentrations of the neuroreactive KP metabolites TRP, KYNA, QUIN and PIC and the KYNA/KYN ratio were significantly lower in GBM patient plasma (n = 18 compared to controls. These results provide further evidence for the involvement of the KP in glioma pathophysiology and highlight a potential role of KP products as novel and highly attractive therapeutic targets to evaluate for the treatment of brain tumors, aimed at restoring anti-tumor immunity and reducing the capacity for malignant cells to produce NAD(+, which is necessary for energy production and DNA repair.

Synthesis, Properties, Calculations and Applications of Small Molecular Host Materials Containing Oxadiazole Units with Different Nitrogen and Oxygen Atom Orientations for Solution-Processable Blue Phosphorescent OLEDs

Science.gov (United States)

Ye, Hua; Wu, Hongyu; Chen, Liangyuan; Ma, Songhua; Zhou, Kaifeng; Yan, Guobing; Shen, Jiazhong; Chen, Dongcheng; Su, Shi-Jian

2018-03-01

A series of new small molecules based on symmetric electron-acceptor of 1,3,4-oxadiazole moiety or its asymmetric isomer of 1,2,4-oxadiazole unit were successfully synthesized and applied to solution-processable blue phosphorescent organic light-emitting diodes for the first time, and their thermal, photophysical, electrochemical properties and density functional theory calculations were studied thoroughly. Due to the high triplet energy levels ( E T, 2.82-2.85 eV), the energy from phosphorescent emitter of iridium(III) bis[(4,6-difluorophenyl)-pyridinate- N,C2']picolinate (FIrpic) transfer to the host molecules could be effectively suppressed and thus assuring the emission of devices was all from FIrpic. In comparison with the para-mode conjugation in substitution of five-membered 1,3,4-oxadiazole in 134OXD, the meta-linkages of 1,2,4-isomer appending with two phenyl rings cause the worse conjugation degree and the electron delocalization as well as the lower electron-withdrawing ability for the other 1,2,4-oxadiazole-based materials. Noting that the solution-processed device based on 134OXD containing 1,3,4-oxadiazole units without extra vacuum thermal-deposited hole/exciton-blocking layer and electron-transporting layer showed the highest maximum current efficiency (CEmax) of 8.75 cd/A due to the excellent charge transporting ability of 134OXD, which far surpassed the similar devices based on other host materials containing 1,2,4-oxadiazole units. Moreover, the device based on 134OXD presented small efficiency roll-off with current efficiency (CE) of 6.26 cd/A at high brightness up to 100 cd/m2. This work demonstrates different nitrogen and oxygen atom orientations of the oxadiazole-based host materials produce major impact on the optoelectronic characteristics of the solution-processable devices.

Effects of temperature-humidity index and chromium supplementation on antioxidant capacity, heat shock protein 72, and cytokine responses of lactating cows.

Science.gov (United States)

Zhang, F J; Weng, X G; Wang, J F; Zhou, D; Zhang, W; Zhai, C C; Hou, Y X; Zhu, Y H

2014-07-01

Heat stress adversely affects the productivity and immune status of dairy cows. The temperature-humidity index (THI) is commonly used to indicate the degree of heat stress on dairy cattle. We investigated the effects of different THI and Cr supplementation on the antioxidant capacity, the levels of heat shock protein 72 (Hsp72), and cytokine responses of lactating cows. The study used a total of 24 clinically healthy uniparous midlactation Holstein cows, which were randomly divided into 2 groups (n = 12 per group), and was conducted in 3 designated THI periods: low THI period (LTHI; THI = 56.4 ± 2.5), moderate THI period (MTHI; THI = 73.9 ± 1.7), and high THI period (HTHI; THI = 80.3 ± 1.0). The 2 groups of cows were fed corn and corn silage based basal diet supplemented chromium picolinate to provide 3.5 mg of Cr/cow daily (Cr+) or basal diet with no Cr (Cr-). The experiment was a 3 × 2 factorial design. The numbers of leukocytes (P Cows supplemented with Cr had lower (P = 0.009) serum concentrations of cholesterol but greater (P cows supplemented with Cr had greater (P = 0.038) expression of the inhibitor of nuclear factor kappa B α (IκBα) in peripheral blood mononuclear cells (PBMC) compared with those without Cr supplementation in the HTHI, whereas the expression of Hsp72 in PBMC was unaltered. Data indicate that there is a decrease in glucose and increases in BUN and creatinine in the serum of midlactation cows under hot conditions during the summer and that these cows have a lowered oxidative capacity but an elevated antioxidant capacity. In addition, Cr may play an anti-inflammatory role in lactating cows by promoting the release of Hsp72, increasing the production of IL-10, and inhibiting the degradation of IκBα under hot conditions during the summer.

Nutrition, Pharmacological and Training Strategies Adopted by Six Bodybuilders: Case Report and Critical Review.

Science.gov (United States)

Gentil, Paulo; de Lira, Claudio Andre Barbosa; Paoli, Antonio; Dos Santos, José Alexandre Barbosa; da Silva, Roberto Deivide Teixeira; Junior, José Romulo Pereira; da Silva, Edson Pereira; Magosso, Rodrigo Ferro

2017-02-24

The purpose of this study was to report and analyze the practices adopted by bodybuilders in light of scientific evidence and to propose evidence-based alternatives. Six (four male and two female) bodybuilders and their coaches were directly interviewed. According to the reports, the quantity of anabolic steroids used by the men was 500-750 mg/week during the bulking phase and 720-1160 mg during the cutting phase. The values for women were 400 and 740 mg, respectively. The participants also used ephedrine and hydrochlorothiazide during the cutting phase. Resistance training was designed to train each muscle once per week and all participants performed aerobic exercise in the fasted state in order to reduce body fat. During the bulking phase, bodybuilders ingested ~2.5 g of protein/kg of body weight. During the cutting phase, protein ingestion increased to ~3 g/kg and carbohydrate ingestion decreased by 10-20%. During all phases, fat ingestion corresponded to ~15% of the calories ingested. The supplements used were whey protein, chromium picolinate, omega 3 fatty acids, branched chain amino acids, poly-vitamins, glutamine and caffeine. The men also used creatine in the bulking phase. In general, the participants gained large amounts of fat-free mass during the bulking phase; however, much of that fat-free mass was lost during the cutting phase along with fat mass. Based on our analysis, we recommend an evidence-based approach by people involved in bodybuilding, with the adoption of a more balanced and less artificial diet. One important alert should be given for the combined use of anabolic steroids and stimulants, since both are independently associated with serious cardiovascular events. A special focus should be given to revisiting resistance training and avoiding fasted cardio in order to decrease the reliance on drugs and thus preserve bodybuilders' health and integrity.

Repercusiones del picolinato de cromo en el metabolismo proteico en función de la edad Repercussions of chromium picolinate in the protein metabolism based on the age

OpenAIRE

M. J. González Muñoz; I. Meseguer; M. C. Martínez Para; M. V. Aguilar; A. Bernao

2006-01-01

Antecedentes: Comercializado como suplemento dietético, el picolinato de cromo ha sido promocionado como constructor muscular y como un agente de pérdida de peso, al incrementar el músculo esquelético por su acción sobre la insulina. Objetivo: En este estudio se ha evaluado el efecto que, la suplementación de la dieta de ratas en distintas etapas de crecimiento (infantil y puberal), con 500 µg Cr/día en forma de picolinato de cromo (12 días), tiene sobre su crecimiento y utilización pro...

Changes in Tryptophan Catabolite (TRYCAT) Pathway Patterning Are Associated with Mild Impairments in Declarative Memory in Schizophrenia and Deficits in Semantic and Episodic Memory Coupled with Increased False-Memory Creation in Deficit Schizophrenia.

Science.gov (United States)

Kanchanatawan, Buranee; Hemrungrojn, Solaphat; Thika, Supaksorn; Sirivichayakul, Sunee; Ruxrungtham, Kiat; Carvalho, André F; Geffard, Michel; Anderson, George; Maes, Michael

2018-06-01

Evidence indicates that schizophrenia and in particular negative symptoms and deficit schizophrenia are accompanied by neurocognitive impairments and changes in the patterning of the tryptophan catabolite (TRYCAT) pathway. This cross-sectional study was carried out to examine the associations between cognitive functions (as measured with Consortium to Establish a Registry for Alzheimer's disease (CERAD)) and TRYCAT pathway patterning in patients with (n = 40) and without (n = 40) deficit schizophrenia and normal controls (n = 40). Cognitive measures were assessed with the Verbal Fluency Test (VFT), Boston Naming Test (BNT), Mini-Mental State Examination (MMSE), Word List Memory (WLM), Constructional Praxis, Word List Recall (WLRecall), and Word List Recognition (WLRecognition), while TRYCAT measurements assessed the IgA/IgM responses to noxious TRYCATs, namely quinolinic acid (QA), 3-OH-kynurenine (3HK), picolinic acid (PA), and xanthurenic (XA) acid, and more protective (PRO) TRYCATs, including kynurenic acid (KA) and anthranilic acid (AA). IgA NOX/PRO, IgM KA/3HK, and IgA/IgM NOX/PRO ratios were computed. Schizophrenia was accompanied by lower VFT and WLM, while BNT (dysnomia) and MMSE are significantly lower in multiple- than first-episode schizophrenia. Deficit schizophrenia is strongly associated with worse outcomes on VFT, MMSE, WLM, WLRecall, WLRecognition, and delayed recall savings and increased false memories. Around 40-50% of the variance in negative symptoms' scores was explained by VFT, WLM, WLRecall, and MMSE. Increases in IgA NOX/PRO, IgM KA/3HK, and/or IgA/IgM NOX/PRO ratios were associated with impairments in VFT, BNT, MMSE, WLM, WLRecall, WLRecognition, and false-memory creation. In conclusion, nondeficit schizophrenia is accompanied by mild memory impairments, while disease progression is accompanied by broader cognitive impairments. Deficit schizophrenia and negative symptoms are strongly associated with deficits in working memory, delayed

Structures and luminescent properties of new uranyl-based hybrid materials

Energy Technology Data Exchange (ETDEWEB)

Severance, R.C.; Vaughn, S.A.; Smith, M.D.; Hans-Conrad zur, Loye [Department of Chemistry and Biochemistry, University of South Carolina, 631 Sumter Street, Columbia, SC 29208 (United States)

2011-06-15

Six uranyl coordination compounds, UO{sub 2}(OH)(PYCA) (1), UO{sub 2}(PYCA){sub 2}(H{sub 2}O).2H{sub 2}O (2), UO{sub 2}(PIC){sub 2} (3), UO{sub 2}(H{sub 2}O){sub 2}(NIC){sub 2} (4), UO{sub 2}(OH)(HINIC)(INIC) (5), and UO{sub 2}(PYTAC){sub 2}(H{sub 2}O){sub 2} (6) were grown as single crystals via hydrothermal synthesis (PYCA - pyrazine-2-carboxylate, PIC - picolinate, NIC - nicotinate, INIC - iso-nicotinate, and PYTAC - 2-(pyridin-4-yl)thiazole-5-carboxylate) to study their optical properties. All six compounds have been identified via single crystal X-ray diffraction and fully characterized via powder X-ray diffraction, infrared spectroscopy, UV-Vis spectroscopy, and fluorescence spectroscopy. Three of the complexes, 1, 3, and 6, represent new structures, and their synthesis and structural characterization is detailed within. The structures of 2, 4, and 5 have previously been reported in the literature. Coordination polymer 1 crystallizes in the orthorhombic space group Pca21 (a = 13.5476(5) Angstroms, b = 6.6047(2) Angstroms, c = 8.3458(3) Angstroms), and forms infinite 1-D chains of corner-sharing uranium polyhedra connected into 2-D layers by bridging ligands. Coordination polymer 3 crystallizes in the monoclinic space group Cc (a = 8.4646(8) Angstroms, b = 13.0357(11) Angstroms, c = 11.8955(10) Angstroms, {beta} = 96.815(2) degrees), and forms ligand-bridged 1-D chains. Complex 6 crystallizes in the triclinic space group P-1 (a = 5.6272(7) Angstroms, b = 8.9568(10) Angstroms, c = 10.4673(12) Angstroms, {alpha} 90.508(2) degrees, {beta} = 104.194(2) degrees, {gamma} = 91.891(2) Angstroms), and consists of isolated uranyl complexes connected via hydrogen bonds. The structures and luminescent properties of UO{sub 2}(OH)(PYCA) (1), UO{sub 2}(PYCA){sub 2}(H{sub 2}O).2H{sub 2}O (2), UO{sub 2}(PIC){sub 2} (3), UO{sub 2}(H{sub 2}O){sub 2}(NIC){sub 2} (4), UO{sub 2}(OH)(HINIC)(INIC) (5), and UO{sub 2}(PYTAC){sub 2}(H{sub 2}O){sub 2} (6) are discussed. (authors)

Dietary Supplementation of Chromium Can Alleviate Negative Impacts of Heat Stress on Performance, Carcass Yield, and Some Blood Hematology and Chemistry Indices of Growing Japanese Quail.

Science.gov (United States)

El-Kholy, Mohamed Soliman; El-Hindawy, Mohamed Mohamed; Alagawany, Mahmoud; Abd El-Hack, Mohamed Ezzat; El-Sayed, Sabry Abd El-Gawad Abd El-Halim

2017-09-01

The main objective of this work was to investigate the impact of dietary chromium supplementation on growth indices, carcass yield, and some hematological and biochemical blood parameters of growing Japanese quails subjected to heat stress. A total of 360 unsexed 2-week-old Japanese quail chicks were used in a 2 × 3 factorial arrangement that had two ambient temperatures (23 ± 2 and 33 ± 2 °C) and three dietary chromium (0.00, 500, and 1000 μg Cr/kg diet as chromium picolinate). For induction of heat stress, the room temperature was set at 33 ± 2 °C from 2 to 6 weeks of age. Results showed that body weight, body weight gain, and feed intake were decreased for birds subjected to heat stress condition during 2 to 4 and 2 to 6 weeks of age. Feed conversion was not significantly (P > 0.05) affected by high ambient temperature throughout the experiment. Carcass, dressing, liver, and heart percentages were not influenced by the ambient temperature or dietary chromium or their combinations. Significant temperature × chromium combinations were observed for hemoglobin value (P = 0.025) and packed cell volume (P = 0.001). Cholesterol and glucose in plasma were increased (P = 0.004 or 0.022) in quails subjected to heat stress condition. Plasma measurements of total proteins, albumin, globulin, lipids, glucose, and A/G ratio of quail chicks were not influenced (P > 0.05) by chromium, while cholesterol was increased with increasing chromium level (P = 0.033). High ambient temperature or dietary chromium levels or their interactions did not (P > 0.05) affect plasma levels of aspartate transaminase (AST), alanine transaminase (ALT), triiodothyronine (T3), thyroxin (T4), or T3/T4 ratio of growing quails. From these observations, it can be concluded that dietary chromium supplementation of growing Japanese quail subjected to heat stress condition could beneficially affect growth performance and carcasses, as well as modulate the hematological

Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carboxypyridine and 2-carboxyquinoline

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Kazuma Gotoh

2017-12-01

Full Text Available The crystal structure of the 1:2 dihydrate compound of chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone with 2-carboxypyridine (another common name: picolinic acid; systematic name: pyridine-2-carboxylic acid, namely, 2C6H5.5NO20.5+·C6HCl2O4−·2H2O, (I, has been determined at 180 K, and the structure of the 1:2 dihydrate compound of chloranilic acid with 2-carboxyquinoline (another common name: quinaldic acid; systematic name: quinoline-2-carboxylic acid, namely, 2C10H7NO2·C6H2Cl2O4·2H2O, (II, has been redetermined at 200 K. This determination presents a higher precision crystal structure than the previously published structure [Marfo-Owusu & Thompson (2014. X-ray Struct. Anal. Online, 30, 55–56]. Compound (I was analysed as a disordered structure over two states, viz. salt and co-crystal. The salt is bis(2-carboxypyridinium chloranilate dihydrate, 2C6H6NO2+·C6Cl2O42−·2H2O, and the co-crystal is bis(pyridinium-2-carboxylate chloranilic acid dihydrate, 2C6H5NO2·C6H2Cl2O4·2H2O, including zwitterionic 2-carboxypyridine. In both salt and co-crystal, the water molecule links the chloranilic acid and 2-carboxypyridine molecules through O—H...O and N—H...O hydrogen bonds. The 2-carboxypyridine molecules are connected into a head-to-head inversion dimer by a short O—H...O hydrogen bond, in which the H atom is disordered over two positions. Compound (II is a 1:2 dihydrate co-crystal of chloranilic acid and zwitterionic 2-carboxyquinoline. The water molecule links the chloranilic acid and 2-carboxyquinoline molecules through O—H...O hydrogen bonds. The 2-carboxyquinoline molecules are connected into a head-to-tail inversion dimer by a pair of N—H...O hydrogen bonds.

Copper-promoted methylene C-H oxidation to a ketone derivative by O2.

Science.gov (United States)

Deville, Claire; McKee, Vickie; McKenzie, Christine J

2017-01-17

The methylene group of the ligand 1,2-di(pyridin-2-yl)-ethanone oxime (dpeo) is slowly oxygenated by the O 2 in air under ambient conditions when [Cu(dpeo) 2 ](ClO 4 ) 2 is dissolved in ethanol or acetonitrile. An initial transient ketone product, 2-(hydroxyimino)-1,2-di(pyridine-2-yl)ethanone, (hidpe) was characterized in the heteroleptic copper(ii) complex [Cu(bpca)(hidpe)](ClO 4 ). The co-ligand in this complex, N-(2'-pyridylcarbonyl)pyridine-2-carboximidate (bpca - ), is derived from a copper-promoted Beckmann rearrangement of hidpe. In the presence of bromide only [Cu(bpca)Br] is isolated. When significant water is present in reaction mixtures copper complexes of dpeo, hidpe and bpca - are not recovered and [Cu(pic) 2 H 2 O] is isolated. This occurs since two equivalents of picolinate are ultimately generated from one equivalent of oxidized and hydrolysed dpeo. The copper-dependent O 2 activation and consequent stoichiometric dpeo C-H oxidation is reminiscent of the previously observed catalysis of dpeo oxidation by Mn(ii) [C. Deville, S. K. Padamati, J. Sundberg, V. McKee, W. R. Browne, C. J. McKenzie, Angew. Chem., Int. Ed., 2016, 55, 545-549]. By contrast dpeo oxidation is not observed during complexation reactions with other late transition metal(ii) ions (M = Fe, Co, Ni, Zn) under aerobic conditions. In these cases bis and tris complexes of bidentate dpeo are isolated in good yields. It is interesting to note that dpeo is not oxidised by H 2 O 2 in the absence of Cu or Mn, suggesting that metal-based oxidants capable of C-H activation are produced from the dpeo-Cu/Mn systems and specifically O 2 . The metastable copper complexes [Cu(dpeo) 2 ](ClO 4 ) 2 and [Cu(bpca)(hidpe)](ClO 4 ), along with [NiX 2 (dpeo) 2 ] (X = Cl, Br), [Ni(dpeo) 3 ](ClO 4 ) 2 , [Co(dpeo) 3 ](ClO 4 ) 3 and the mixed valence complex [Fe III Fe(dpeo-H) 3 (dpeo) 3 ](PF 6 ) 4 , have been structurally characterized.

DNA binding mode of the cis and trans geometries of new antitumor nonclassical platinum complexes containing piperidine, piperazine or 4-picoline ligand in cell-free media. Relations to their activity in cancer cell lines

Czech Academy of Sciences Publication Activity Database

Kašpárková, Jana; Marini, Victoria; Najajreh, Y.; Gibson, D.; Brabec, Viktor

2003-01-01

Roč. 42, č. 20 (2003), s. 6321-6332 ISSN 0006-2960 R&D Projects: GA AV ČR IAA5004101; GA AV ČR KJB5004301; GA ČR GA305/01/0418 Institutional research plan: CEZ:AV0Z5004920 Keywords : cross links * DNA * nonclassical platinum complexes Subject RIV: BO - Biophysics Impact factor: 3.922, year: 2003

Hydroxycholesterol Levels in the Serum and Cerebrospinal Fluid of Patients with Neuromyelitis Optica Revealed by LC-Ag+CIS/MS/MS and LC-ESI/MS/MS with Picolinic Derivatization: Increased Levels and Association with Disability during Acute Attack.

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Eunju Cha

Full Text Available Neuromyelitis optica (NMO is an inflammatory demyelinating disease of the central nervous system (CNS. Hydroxycholesterols (OHCs, metabolites of CNS cholesterol, are involved in diverse cellular responses to inflammation and demyelination, and may also be involved in the pathogenesis of NMO. We aimed to develop a sensitive and reliable method for the quantitative analysis of three major OHCs (24S-, 25-, and 27-OHCs, and to evaluate their concentration in the cerebrospinal fluid (CSF and serum of patients with NMO. The levels of the three OHCs in the serum and CSF were measured using liquid chromatography-silver ion coordination ionspray tandem mass spectrometry and liquid chromatography-electrospray ionization tandem mass spectrometry with picolinyl ester derivatization, respectively. The linear range was 5-250 ng/mL for 24S- and 27-OHC, and 0.5-25 ng/mL for 25-OHC in serum, and was 0.1-5 ng/mL for 24S- and 27-OHC, and 0.03-1 ng/mL for 25-OHC in CSF. Precision and accuracy were 0.5%-14.7% and 92.5%-109.7%, respectively, in serum, and were 0.8%-7.7% and 94.5%-119.2%, respectively, in CSF. Extraction recovery was 82.7%-90.7% in serum and 68.4%-105.0% in CSF. When analyzed in 26 NMO patients and 23 control patients, the 25-OHC (0.54 ± 0.96 ng/mL vs. 0.09 ± 0.04 ng/mL, p = 0.032 and 27-OHC (2.68 ± 3.18 ng/mL vs. 0.68 ± 0.25 ng/mL, p = 0.005 were increased in the CSF from NMO patients. When we measured the OHCCSF index that controls the effects of blood-brain barrier disruption on the level of OHC in the CSF, the 27-OHCCSF index was associated with disability (0.723; 95% confidence interval (CI- 0.181, 0.620; p = 0.002, while the 24-OHCCSF index (0.518; 95% CI- 1.070, 38.121; p = 0.040 and 25-OHCCSF index (0.677; 95% CI- 4.313, 18.532; p = 0.004 were associated with the number of white blood cells in the CSF of NMO patients. Our results imply that OHCs in the CNS could play a role in the pathogenesis of NMO.

Hydroxycholesterol Levels in the Serum and Cerebrospinal Fluid of Patients with Neuromyelitis Optica Revealed by LC-Ag+CIS/MS/MS and LC-ESI/MS/MS with Picolinic Derivatization: Increased Levels and Association with Disability during Acute Attack

Science.gov (United States)

Park, Ki Duk; Park, Kyung Seok; Lee, Kwang-Woo; Kim, Sung-Min; Lee, Jaeick

2016-01-01

Neuromyelitis optica (NMO) is an inflammatory demyelinating disease of the central nervous system (CNS). Hydroxycholesterols (OHCs), metabolites of CNS cholesterol, are involved in diverse cellular responses to inflammation and demyelination, and may also be involved in the pathogenesis of NMO. We aimed to develop a sensitive and reliable method for the quantitative analysis of three major OHCs (24S-, 25-, and 27-OHCs), and to evaluate their concentration in the cerebrospinal fluid (CSF) and serum of patients with NMO. The levels of the three OHCs in the serum and CSF were measured using liquid chromatography-silver ion coordination ionspray tandem mass spectrometry and liquid chromatography-electrospray ionization tandem mass spectrometry with picolinyl ester derivatization, respectively. The linear range was 5–250 ng/mL for 24S- and 27-OHC, and 0.5–25 ng/mL for 25-OHC in serum, and was 0.1–5 ng/mL for 24S- and 27-OHC, and 0.03–1 ng/mL for 25-OHC in CSF. Precision and accuracy were 0.5%–14.7% and 92.5%–109.7%, respectively, in serum, and were 0.8%–7.7% and 94.5%–119.2%, respectively, in CSF. Extraction recovery was 82.7%–90.7% in serum and 68.4%–105.0% in CSF. When analyzed in 26 NMO patients and 23 control patients, the 25-OHC (0.54 ± 0.96 ng/mL vs. 0.09 ± 0.04 ng/mL, p = 0.032) and 27-OHC (2.68 ± 3.18 ng/mL vs. 0.68 ± 0.25 ng/mL, p = 0.005) were increased in the CSF from NMO patients. When we measured the OHCCSF index that controls the effects of blood–brain barrier disruption on the level of OHC in the CSF, the 27-OHCCSF index was associated with disability (0.723; 95% confidence interval (CI)– 0.181, 0.620; p = 0.002), while the 24-OHCCSF index (0.518; 95% CI– 1.070, 38.121; p = 0.040) and 25-OHCCSF index (0.677; 95% CI– 4.313, 18.532; p = 0.004) were associated with the number of white blood cells in the CSF of NMO patients. Our results imply that OHCs in the CNS could play a role in the pathogenesis of NMO. PMID:27942009

Productive, economic and qualitative effects of different nutritional programs for growing and finishing pigsEfeitos produtivos, qualitativos e econômicos de diferentes programas nutricionais para suínos em crescimento e terminação

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Valéria Santos Moreira

2012-02-01

Full Text Available The objective of this work was evaluate the best nutritional program for growing pigs, between five comercial diets with different levels of protein (high, medium and low, chrome picolinate and ractopamine for finishing pigs. Performance, carcass, economy and meat quality were evaluated. Seventy pigs (Pen Ar Lan were used (35 barrows and 35 gilts with initial weight ± standard deviation of 25.22 ± 2.5 kg and were slaughtered with final weight plus standard deviation of 119.08 ± 6.0kg. Difference between high protein and low protein + chrrome was observed to feed convertion during growth phases, with high protein showing better results. Difference was observed during finishing phase II to daily gain, showing better results for ractopamine over low protein. Muscle and fat deposition over carcass showed better results for ractopamine against low protein only. Lower levels of drip loss was observed for low protein and ractopamine treatments against higher levels of protein treatments. Ractopamine also showed the best cost when compared with all treatments and was the best nutritional program studied.O objetivo neste trabalho foi avaliar o melhor programa nutricional para suínos em engorda, entre cinco formulações comerciais a partir do uso de diferentes níveis de proteína total (alta, média e baixa, picolinato de cromo (Cr e ractopamina (Rac no final da terminação. Os tratamentos foram avaliados para desempenho, características de carcaça, aspectos econômicos e qualidade de carne. Foram utilizados 70 suínos de linhagem comercial Pen Ar Lan (35 machos castrados e 35 fêmeas com peso médio inicial ± desvio padrão de 25,22 ± 2,5 kg e peso final de abate ± desvio padrão de 119,08 ± 6,0kg. Para as fases iniciais de crescimento, foi observada diferença para a conversão alimentar com a ração com alta proteína apresentando melhor conversão alimentar em relação à ração com picolinato de cromo. Para a fase de terminação II

Device Engineering and Degradation Mechanism Study of All-Phosphorescent White Organic Light-Emitting Diodes

Science.gov (United States)

Xu, Lisong

As a possible next-generation solid-state lighting source, white organic light-emitting diodes (WOLEDs) have the advantages in high power efficiency, large area and flat panel form factor applications. Phosphorescent emitters and multiple emitting layer structures are typically used in high efficiency WOLEDs. However due to the complexity of the device structure comprising a stack of multiple layers of organic thin films, ten or more organic materials are usually required, and each of the layers in the stack has to be optimized to produce the desired electrical and optical functions such that collectively a WOLED of the highest possible efficiency can be achieved. Moreover, device degradation mechanisms are still unclear for most OLED systems, especially blue phosphorescent OLEDs. Such challenges require a deep understanding of the device operating principles and materials/device degradation mechanisms. This thesis will focus on achieving high-efficiency and color-stable all-phosphorescent WOLEDs through optimization of the device structures and material compositions. The operating principles and the degradation mechanisms specific to all-phosphorescent WOLED will be studied. First, we investigated a WOLED where a blue emitter was based on a doped mix-host system with the archetypal bis(4,6-difluorophenyl-pyridinato-N,C2) picolinate iridium(III), FIrpic, as the blue dopant. In forming the WOLED, the red and green components were incorporated in a single layer adjacent to the blue layer. The WOLED efficiency and color were optimized through variations of the mixed-host compositions to control the electron-hole recombination zone and the dopant concentrations of the green-red layers to achieve a balanced white emission. Second, a WOLED structure with two separate blue layers and an ultra-thin red and green co-doped layer was studied. Through a systematic investigation of the placement of the co-doped red and green layer between the blue layers and the material