Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK)

N-Alkyl substituted pyrazoloanthrone derivatives were synthesized, characterized and tested for their in vitro inhibitory activity over c-Jun N-terminal kinase (JNK). Among the tested molecules, a few derivatives showed significant inhibitory activity against JNK with minimal off-target effect on other mitogen-activated protein kinase (MAP kinase) family members such as MEK1/2 and MKK3,6. These results suggested that N-alkyl (propyl and butyl) bearing pyrazoloanthrone scaffolds provide promising therapeutic inhibitors for JNK in regulating inflammation associated disorders.

Multiferroic properties of microwave sintered BaTiO3-SrFe12O19 composites

The composites of xSrFe(12)O(19)-(1-x) BaTiO3 where x=0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1were prepared by Sol gel method and consequently densified at 1100 degrees C/90 min using microwave sintering method. The phase formation and diphase microstructure of the composite samples was examined by X-ray diffraction and field emission electron microscope (FESEM), respectively. The effects of constituent phase variation on the ferroelecrric, dielectric and magnetic properties were examined. It was observed that with a decrease of x, the Curie temperature shifted towards low temperature side. (C) 2014 Elsevier B.V. All rights reserved.

C-11/C-9 Helices in Crystals of alpha beta Hybrid Peptides and Switching Structures between Helix Types by Variation in the alpha-Residue

Close-packed helices with mixed hydrogen bond directionality are unprecedented in the structural chemistry of alpha-polypeptides. While NMR studies in solution state provide strong evidence for the occurrence of mixed helices in (beta beta)(n) and (alpha beta)(n) sequences, limited information is currently available in crystals. The peptide structures presented show the occurrence of C-11/C-9 helices in (alpha beta)(n) peptides. Transitions between C-11 and C-11/C-9 helices are observed upon varying the alpha-amino acid residue.

N-Alkyl derivative of 1,9-pyrazoloanthrone as a sensor for picric acid

The N-alkyl derivative of 1,9-pyrazoloanthrone has been synthesized, characterized and evaluated as a potent sensor for picric acid.

A Reactive Intermediate, Ni-5(C6H4N3)(6)(CO)(4)], in the Formation of Nonameric Clusters of Nickel, Ni-9(C6H4N3)(12)(CO)(6)] and Ni-9(C6H4N3)(12)(CO)(6)].2(C3H7NO)

Three new molecular compounds, Ni-5(bta)(6)(CO)(4)], I, Ni-9(bta)(12)(CO)(6)], II, Ni-9(bta)(12)(CO)(6)]. 2(C3H7NO), III, (bta = benzotriazole) were prepared employing solvothermal reactions. Of these, I have pentanuclear nickel, whereas II and III have nonanuclear nickel species. The structures are formed by the connectivity between the nickel and benzotriazole giving rise to the 5- and 9-membered nickel clusters. The structures are stabilised by extensive pi aEuro broken vertical bar pi and C-H... pi interactions. Compound II and III are solvotamorphs as they have the same 9-membered nickel clusters and have different solvent molecules. To the best of our knowledge, the compounds I-III represent the first examples of the same transition element existing in two distinct coordination environment in this class of compounds. The studies reveal that compound I is reactive and could be an intermediate in the preparation of II and III. Thermal studies indicate that the compounds are stable upto 350(a similar to)C and at higher temperatures (similar to 800(a similar to)C) the compounds decompose into NiO. Magnetic studies reveal that II is anti-ferromagnetic.

Solvatochromism of 9,10-phenanthrenequinone: An electronic and resonance Raman spectroscopic study

Solvent effects play a vital role in various chemical, physical, and biological processes. To gain a fundamental understanding of the solute-solvent interactions and their implications on the energy level re-ordering and structure, UV-VIS absorption, resonance Raman spectroscopic, and density functional theory calculation studies on 9,10-phenanthrenequinone (PQ) in different solvents of diverse solvent polarity has been carried out. The solvatochromic analysis of the absorption spectra of PQ in protic dipolar solvents suggests that the longest (1n-pi(1)*; S-1 state) and the shorter (1 pi-pi(1)*; S-2 state) wavelength band undergoes a hypsochromic and bathochromic shift due to intermolecular hydrogen bond weakening and strengthening, respectively. It also indicates that hydrogen bonding plays a major role in the differential solvation of the S-2 state relative to the ground state. Raman excitation profiles of PQ (400-1800 cm(-1)) in various solvents followed their corresponding absorption spectra therefore the enhancements on resonant excitation are from single-state rather than mixed states. The hyperchromism of the longer wavelength band is attributed to intensity borrowing from the nearby allowed electronic transition through vibronic coupling. Computational calculation with C-2 nu symmetry constraint on the S-2 state resulted in an imaginary frequency along the low-frequency out-of-plane torsional modes involving the C=O site and therefore, we hypothesize that this mode could be involved in the vibronic coupling. (C) 2015 AIP Publishing LLC.

Evidence for phase transitions and pseudospin phonon coupling in K-0.9(NH4)(0.1)H2AsO4

This work reports a detailed temperature dependent Raman study on the mixed crystals of K-0.9(NH4)(0.1)H2AsO4 (KADA) from 5K to 300K in the spectral range of 60-1200cm(-1), covering tetragonal to orthorhombic structural phase transition accompanied by paraelectric to ferroelectric transition at T-c* similar to 60K. Multiple phase transitions below transition temperature (Tc* similar to 60K) are marked by the appearance of new modes, splitting of existing ones as well as anomalies in the self-energy parameters (i.e. mode frequencies and damping coefficient) of the phonon modes. Temperature independent behaviour of damping coefficient and abrupt jump in the mode frequency of some of the internal vibrations of AsO4 tetrahedra as well as external vibrations clearly signal long range ferroelectric ordering and proton ordering below T-c*. In addition, we observed that temperature dependence of many prominent phonon modes diverges significantly from their normal anharmonic behaviour below T-c* suggesting potential coupling between pseudospins and phonons. (C) 2015 Author(s).

Direct Observation of Thermal Equilibrium of Excited Triplet States of 9,10-Phenanthrenequinone. A Time-Resolved Resonance Raman Study

The photochemistry of aromatic ketones plays a key role in various physicochemical and biological processes, and solvent polarity can be used to tune their triplet state properties. Therefore, a comprehensive analysis of the conformational structure and the solvent polarity induced energy level reordering of the two lowest triplet states of 9,10-phenanthrenequinone (PQ) was carried out using nanosecond-time-resolved absorption (ns-TRA), time-resolved resonance Raman (TR3) spectroscopy, and time dependent-density functional theory (TD-DFT) studies. The ns-TRA of PQ in acetonitrile displays two bands in the visible range, and these two bands decay with similar lifetime at least at longer time scales (mu s). Interestingly, TR3 spectra of these two bands indicate that the kinetics are different at shorter time scales (ns), while at longer time scales they followed the kinetics of ns-TRA spectra. Therefore, we report a real-time observation of the thermal equilibrium between the two lowest triplet excited states of PQ assigned to n pi* and pi pi* of which the pi pi* triplet state is formed first through intersystem crossing. Despite the fact that these two states are energetically close and have a similar conformational structure supported by TD-DFT studies, the slow internal conversion (similar to 2 ns) between the T-2(1(3)n pi*) and T-1(1(3)pi pi*) triplet states indicates a barrier. Insights from the singlet excited states of PQ in protic solvents J. Chem. Phys. 2015, 142, 24305] suggest that the lowest n pi* and pi pi* triplet states should undergo hydrogen bond weakening and strengthening, respectively, relative to the ground state, and these mechanisms are substantiated by TD-DFT calculations. We also hypothesize that the different hydrogen bonding mechanisms exhibited by the two lowest singlet and triplet excited states of PQ could influence its ISC mechanism.

On the Structural Stability of Melt Spun Ribbons of Fe95-x Zr (x) B4Cu1 (x=7 and 9) Alloys and Correlation with Their Magnetic Properties

Melt spun ribbons of Fe95-x Zr (x) B4Cu1 with x = 7 (Z7B4) and 9 (Z9B4) alloys have been prepared, and their structure and magnetic properties have been evaluated using XRD, DSC, TEM, VSM, and Mossbauer spectroscopy. The glass forming ability (GFA) of both alloys has been calculated theoretically using thermodynamical parameters, and Z9B4 alloy is found to possess higher GFA than that of Z7B4 alloy which is validated by XRD results. On annealing, the amorphous Z7B4 ribbon crystallizes into nanocrystalline alpha-Fe, whereas amorphous Z9B4 ribbon shows two-stage crystallization process, first partially to bcc solid solution which is then transformed to nanocrystalline alpha-Fe and Fe2Zr phases exhibiting bimodal distribution. A detailed phase analysis using Mossbauer spectroscopy through hyperfine field distribution of phases has been carried out to understand the crystallization behavior of Z7B4 and Z9B4 alloy ribbons. In order to understand the phase transformation behavior of Z7B4 and Z9B4 ribbons, molar Gibbs free energies of amorphous, alpha-Fe, and Fe2Zr phases have been evaluated. It is found that in case of Z7B4, alpha-Fe is always a stable phase, whereas Fe2Zr is stable at higher temperature for Z9B4. (C) The Minerals, Metals & Materials Society and ASM International 2015

Eficiencia de utilización del fertilizante nitrogenado por el cultivo del arroz inundado (Oryza sativa L.) var. Altamira 9

El presente trabajo se realizó en la finca "Las Lajas", ubicada en Malacatoya, Municipio del departamento de Granada, IV Región; con la finalidad de determinar el momento oportuno y el fraccionamiento adecuado de aplicación del fertilizante nitrogenado, haciendo uso de la técnica de 15N en el cultivo del arroz inundado (Oryza sativa L.), variedad Altamira 9. En éste estudio se aplicaron 100 kg N/ha en forma de urea, fraccionados en cuatro partes iguales en diferentes etapas fenológicas del cultivo (Emergencia, Ahijamiento, Inicio de elongación del tallo y Cambio de primordio), siendo que urea marcada con 15N (5.25 átomos % 15N en exceso), fue aplicada en cada época, pero en parcelas diferentes. De ésta forma se trató de evaluar la eficiencia de la fertilización nitrogenada aplicada en diferentes etapas fenológicas del cultivo, pero en idénticas condiciones nutricionales. Los resultados permitieron las siguientes conclusiones : l. En un vertisol (Typic pellusterts), de alto contenido de nitrogeno (0.14 %) la aplicación de 100 kg N /ha, elevó la producción de arroz de 2,874 para 5,400kg de granos por hectárea. 2. El total de materia seca producida por el cultivo se distribuyó en 55% para rastrojo y 45% para grano independiente de la fertilización nitrogenada. 3. La fertilización nitrogenada no afectó la longitud de las panículas (20, cm), el peso de 1000 granos (39.4 g.) ni el porcentaje de N en el rastrojo (0.475%) y granos (0.91%) de el cultivo. 4. El total de N acumulado por el cultivo se distribuyó en 39% para rastrojo y 61% para grano, independiente de la fertilización nitrogenado. 5. El mayor aprovechamiento del N aplicado se obtuvo en las aplicaciones tardías, como lo demuestran los más altos valores de porcentajes de N en la planta proveniente del fertilizante de los tratamientos de aplicación del N marcado aplicado a los 44 días (15%) y 57 días (12%), comparado con las aplicaciones tempranas (5 a 8%}. 6. Del porcentaje de N en la planta proveniente del fertilizante en los granos y rastrojos fueron similares, independiente de la época de aplicación del fertilizante marcado; lo cual indica una alta movilidad del nitrógeno en la planta. 7. La eficiencia de la fertilización nitrogenada aplicándose 100 kg de N /ha divididas en cuatro fracciones iguales, fue de 34%. 8. La más alta eficiencia de absorción del fertilizante aplicado (52%), ocurrió cuando éste se aplicó en la fase de inicio de elongación del tallo.

Teología, 1966, Tomo IV/2 nº 9 (número completo)

La acción pastoral de la Iglesia en la Argentina. Su evolución / Justino M. O´Farrell -- Sentido del Sacrificio cristiano / Mariano Ibáñez -- La dignidad sacerdotal del Pueblo de Dios. Según la doctrina de Santo Tomás de Aquino / Cayetano Saladino -- La Presencia personal de Cristo en la Eucaristía. Notas sobre el origen de la fórmula tridentina / Ricardo E. Vaccaro -- Crónica de la Facultad de Teología (abril-noviembre 1966) -- Índice del tomo IV

Temas de historia argentina y americana, 2006, n° 9 (número completo)

Etnocentrismo o el moderno retorno a la tradición / Gilberto Cristián Aranda Bustamante -- El socialismo peruano en el pensamiento de José Carlos Mariátegui / María Victoria Carsen -- Las relaciones entre el anarquismo mexicano y el argentino, 1920-1930 / María Fernanda De La Rosa -- Voces que crean mundos: el sujeto enunciador colonial (Perú, fines del siglo XVI y principios del XVII) / Valeria Marina Elizalde -- Inmigración ruso-alemana y ruralidad. La colonia agrícola como forma de asentamiento / Fabián Claudio Flores -- Yoshio Shinya, un argentino de espíritu / Joaquín Ignacio Mogaburu -- Beneficencia, control social y disputas de las mujeres en el espacio público del sur bonaerense a fines del siglo XIX y principios del XX / Yolanda de Paz Trueba -- La economía en la Confederación (1852-1861)/ Susana I. Rato de Sambuccetti -- Las representaciones domésticas de la modernidad. Paradigmas de la vivienda popular a mediados del siglo en Argentina / Susana N. Tuler -- Miscelánea -- Reseñas Bibliográficas