3,4-Dimethoxy-4′-nitro-1,1′-biphenyl

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Wen-Yi Chu

2012-05-01

Full Text Available The title compound, C14H13NO4, was prepared through a palladium-catalysed Suzuki–Miyaura coupling reaction. The asymmetric unit comprises two molecules related by pseudo-inversion symmetry. The dihedral angles between the benzene rings in the two molecules are 44.30 (6 and 48.50 (6° while those between the benzene ring and the nitro group are 6.54 (13 and 5.73 (10°. The crystal packing is defined only by Van der Waals interactions.

Tandem Reduction/Cyclization of O-Nitrophenyl Propargyl Alcohols-A Novel Synthesis of 2- & 2,4-Disubstituted Quinolines and Application to the Synthesis of Streptonigrin

National Research Council Canada - National Science Library

Sandelier, Matthew J

2008-01-01

The quinoline ring system is a common structural component of a wide variety of natural products with highly desirable biological activity, including antimalarial agents such as quinine, chloroquine...

Quinoline-Based Hybrid Compounds with Antimalarial Activity

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Xhamla Nqoro

2017-12-01

Full Text Available The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcomes. However, the combination of antimalarials is limited by drug-drug interactions. In order to overcome the aforementioned factors, several researchers have reported hybrid compounds prepared by reacting quinoline-based compounds with other compounds via selected functionalities. This review will focus on the currently reported quinoline-based hybrid compounds and their preclinical studies.

Glycoconjugates of Quinolines: Application in Medicinal Chemistry.

Science.gov (United States)

Oliveri, Valentina; Vecchio, Graziella

2016-09-02

Compounds with the quinoline scaffold are widely investigated and offer a variety of therapeutical properties. A number of quinoline derivatives have been synthesized and among these there are glycoconjugated derivatives. Based on the interest for this family of compounds, we reviewed the different biological activities (molecular probes, antiinfective, antiproliferative, antiaggregant and antioxidant) and the potential applications in medicinal chemistry of quinoline glycoconjugates. This review wants to show an example of the glycoconjugation strategy which arose not only to modify the water solubility of the quinolines but also to influence their activity and targeting properties.

Kinetic investigations of quinoline oxidation by ferrate(VI).

Science.gov (United States)

Luo, Zhiyong; Li, Xueming; Zhai, Jun

2016-01-01

Quinoline is considered as one of the most toxic and carcinogenic compounds and is commonly found in industrial wastewaters, which require treatment before being discharged. Removal of quinoline by the use of an environmentally friendly oxidant, potassium ferrate(VI) (K2FeO4), was assessed by studying the kinetics of the oxidation of quinoline by ferrate(VI) (Fe(VI)) as a function of pH (8.53-10.53) and temperature (21-36°C) in this work. The reaction of quinoline with Fe(VI) was found to be first order in Fe(VI), half order in quinoline, and 1.5 order overall. The observed rate constant at 28°C decreased non-linearly from 0.5334 to 0.2365 M(-0.5) min(-1) with an increase in pH from 8.53 to 10.03. Considering the equilibria of Fe(VI) and quinoline, the reaction between quinoline and Fe(VI) contained two parallel reactions under the given pH conditions. The individual rate constants of these two reactions were determined. The results indicate that the protonated species of Fe(VI) reacts more quickly with quinoline than the deprotonated form of Fe(VI). The reaction activation energy Ea was obtained to be 51.44 kJ·mol(-1), and it was slightly lower than that of conventional chemical reaction. It reveals that the oxidation of quinoline by Fe(VI) is feasible in the routine water treatment.

Preparation, one- and two-photon properties of carbazole derivatives containing nitrogen heterocyclic ring

Science.gov (United States)

Zhang, Yichi; Wang, Ping; Li, Liang; Chen, Zhimin; He, Chunying; Wu, Yiqun

Preparation of recording materials with high two-photon absorption activities is one of the important issues to superhigh- density two-photon absorption (TPA) three-dimensional (3D) optical data storage. In this paper, three new carbazole derivatives containing nitrogen heterocyclic ring with symmetric and asymmetric structures are prepared using ethylene as the π bridge between the carbazole unit and nitrogen heterocyclic ring, namely, 9-butyl-3-(2-(1,8- naphthyridin)vinyl)-carbazole (material 1), 9-butyl-3,6-bis(2-(1,8-naphthyl)vinyl)-carbazole (material 2) and 9-butyl-3,6- bis(2-(quinolin)vinyl)-carbazole (material 3). Their one photon properties including linear absorption spectra, fluorescence emission spectra, and fluorescence quantum yields are studied. The fluorescence excited by 120 fs pulse at 800 nm Ti: sapphire laser operating at 1 kHz repetition rate with different incident powers of 9-butyl-3-(2-(quinolin) vinyl)-carbazole (material 3) was investigated, and two-photon absorption cross-sections has been obtained. It is shown that material 3 containing quinoline rings as electron acceptor with symmetric structure exhibit high two-photon absorption activity. The result implies that material 3 (9-butyl-3-(2-(quinolin) vinyl)-carbazole) is a good candidate as a promising recording material for super-high-density two-photon absorption (TPA) three-dimensional (3D) optical data storage. The influence of chemical structure of the materials on the optical properties is discussed.

Indium-Catalyzed Annulation of o-Acylanilines with Alkoxyheteroarenes: Synthesis of Heteroaryl[b]quinolines and Subsequent Transformation to Cryptolepine Derivatives

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Kyohei Yonekura

2018-04-01

Full Text Available We disclose herein the first synthetic method that is capable of offering heteroaryl[b]quinolines (HA[b]Qs with structural diversity, which include tricyclic and tetracyclic structures with (benzothienyl, (benzofuranyl, and indolyl rings. The target HA[b]Q is addressed by the annulation of o-acylanilines and MeO–heteroarenes with the aid of an indium Lewis acid that effectively works to make two different types of the N–C and C–C bonds in one batch. A series of indolo[3,2-b]quinolines prepared here can be subsequently transformed to structurally unprecedented cryptolepine derivatives. Mechanistic studies showed that the N–C bond formation is followed by the C–C bond formation. The indium-catalyzed annulation reaction thus starts with the nucleophilic attack of the NH2 group of o-acylanilines to the MeO-connected carbon atom of the heteroaryl ring in an SNAr fashion, and thereby the N–C bond is formed. The resulting intermediate then cyclizes to make the C–C bond through the nucleophilic attack of the heteroaryl-ring-based carbon atom to the carbonyl carbon atom, providing the HA[b]Q after aromatizing dehydration.

N-(4-Chloro-2-nitrophenylmethanesulfonamide

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Muhammad Nadeem Arshad

2008-10-01

Full Text Available The title compound, C7H7ClN2O4S, is of interest as a precursor to biologically active substituted quinolines. Its structure resembles those of the previously reported N-phenylmethane sulfonamide and its 4-nitro, 4-fluoro and 4-bromo derivatives, with slightly different geometric parameters. An intramolecular N—H...O hydrogen bond gives rise to a six-membered ring. Intermolecular C—H...O contacts stabilize the crystal packing.

1-Methyl-5-nitro-3-phenyl-1H-indazole

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Mohammed Naas

2016-06-01

Full Text Available The title compound, C14H11N3O2, crystallizes with two molecules in the asymmetric unit. The indazole ring system and the nitro group are nearly coplanar, with the largest deviations from the mean plane being 0.070 (4 Å in one molecule and 0.022 (3 Å in the second. The dihedral angle between the mean plane through the phenyl ring and the mean plane of the indazole ring system is of 23.24 (18° in the first molecule and 26.87 (18° in the second. In the crystal, molecules are linked by two C—H...O hydrogen bonds, forming linear zigzag tapes running along the c-axis direction, and by π–π stacking of molecules along the b axis, generating a three-dimensional structure.

Degradation of pyridine and quinoline in aqueous solution by gamma radiation

Science.gov (United States)

Chu, Libing; Yu, Shaoqing; Wang, Jianlong

2018-03-01

In present work, the degradation of two N-heteroaromatic pollutants, i.e., pyridine and quinoline was investigated by gamma irradiation in the presence of TiO2 nanoparticle. The experimental results showed that quinoline has a higher degradation rate than pyridine. The removal efficiency of the pollutants, TOC and TN reached 93.0%, 11.9% and 12.0% for quinoline, 71.0%, 10.6% and 4.4% for pyridine, respectively at 7.0 kGy and initial concentration of 50 mg/L. Ammonium was detected for both pyridine and quinoline within the absorbed doses, suggesting that the organic nitrogen was transformed into ammonium. The degradation rate constant of pyridine and quinoline was increased by 1.1-1.5 times with addition of TiO2. TiO2 nanoparticles were especially effective to enhance the mineralization. The removal efficiency of TOC and TN was increased by 15-12% for pyridine and 23-25% for quinoline, respectively in the presence of 2.0 g/L TiO2. Following gamma irradiation, 2-hydroxypyridine, 3-hydroxypyridine, oxalic acid and formic acid were identified for pyridine and the hydroxyl quinoline and formic acid were detected for quinoline. Accordingly, the degradation mechanism of pyridine and quinoline by gamma irradiation was tentatively proposed.

3,3′-Bis(quinolin-8-yl-1,1′-[4,4′-methylenebis(4,1-phenylene]diurea

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Avijit Pramanik

2012-01-01

Full Text Available The title compound, C33H26N6O2, contains two 3-(quinolin-8-ylurea groups linked to a diphenylmethane. The asymmetric unit contains two molecules, A and B. Each quinoline plane is essentially parallel to the attached urea unit [dihedral angles = 8.97 (18 and 8.81 (19 in molecule A and 18.47 (18 and 4.09 (19° in molecule B]. The two benzene rings are twisted, making dihedral angles of 81.36 (8° in A and 87.20 (9° in B. The molecular structures are stabilized by intramolecular N—H...N hydrogen bonds. In the crystal, each urea O atom is involved in two N—H...O hydrogen bonds, generating two interpenetrating three-dimensional sets of molecules.

[3-(5-Nitro-2-furyl-1-phenyl-1H-pyrazol-4-yl](phenylmethanone

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Jia Hao Goh

2010-05-01

Full Text Available In the title pyrazole compound, C20H13N3O4, an intramolecular C—H...O hydrogen bond generates a seven-membered ring, producing an S(7 ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1 and 0.007 (1 Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10°. The pyrazole ring forms dihedral angles of 8.51 (9 and 56.81 (9° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3°. In the crystal packing, intermolecular C—H...O hydrogen bonds link adjacent molecules into two-molecule-wide chains along the a axis. The crystal packing is further stabilized by weak intermolecular C—H...π and π–π interactions [centroid–centroid distance = 3.4441 (10 Å].

Degradation of quinoline by wet oxidation - kinetic aspects and reaction mechanisms

DEFF Research Database (Denmark)

Thomsen, A.B.

1998-01-01

The high temperature, high pressure wet oxidation reaction of quinoline has been studied as a function of initial concentration, pH and temperature. At neutral to acidic pH, it is effective in the oxidation of quinoline at 240 degrees C and above, whereas under alkaline conditions the reaction...... is markedly slowed down. The results indicate that the reaction is an auto-catalysed, free radical chain reaction transforming 99% of quinoline to other substances. Of the quinoline. 30-50% was oxidised to CO2 and H2O depending on the initial concentration. Wet oxidation of deuterium-labelled quinoline...

Methyl 3-(Quinolin-2-ylindolizine-1-carboxylate

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Roumaissa Belguedj

2015-12-01

Full Text Available A novel compound, methyl 3-(quinolin-2-ylindolizine-1-carboxylate (2 has been synthesized by cycloaddition reaction of 1-(quinolin-2-ylmethylpyridinium ylide (1 with methyl propiolate in presence of sodium hydride in THF. The structure of this compound was established by IR, 1H-NMR, 13C-NMR and MS data

1-(3-Bromo-6-nitro-1H-indazol-1-ylethan-1-one

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Mohamed Mokhtar Mohamed Abdelahi

2017-05-01

Full Text Available The asymmetric unit of the title compound, C9H6BrN3O3, consists of two independent molecules differing in the rotational orientations of the nitro and acetyl substituents. In the crystal, head-to-head π-stacking between pairs of adjacent molecules forms dimers which are associated into stacks by C—Br...π(ring interactions. C—H...O hydrogen bonds tie the stacks together.

Bis(6-nitro-1,10-phenanthrolin-1-ium 2,5-dicarboxyterephthalate

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Kai-Long Zhong

2014-03-01

Full Text Available In the structure of the title 2:1 proton-transfer compound, 2C12H8N3O2+·C10H4O82−, the 6-nitro-1,10-phenanthroline molecules act as proton sponges, accepting protons from pyromellitic acid. The –NO2 group of one of the 6-nitro-1,10-phenanthrolin-1-ium cations is disordered and was refined with a site-occupancy ratio of 0.624 (15:0.376 (15. Two –COOH(–COO− groups of the 2,5-dicarboxyterephthalate dianion are disordered and were refined with site-occupancy ratios of 0.769 (4:0.231 (4 and 0.766 (5:0.234 (5. The –NO2 group of the second cation is also disordered about a pseudo-twofold rotation axis and was refined with a site-occupancy ratio of 0.903 (3:0.097 (3. There is an intramolecular O—H...O hydrogen bond in the anion. The phenanthroline rings of the two cations are inclined to one another by 31.3 (1°. In the anions, considering the major components only, the carboxylic acid groups (–COOH are inclined to the benzene ring by 17.3 (2 and 22.3 (3°. The carboxylate groups (–COO− are twisted by 9.3 (2 and 13.6 (6° with respect to the benzene ring. In the crystal, adjacent 2,5-dicarboxyterephthalate anions are linked via O—H...O hydrogen bonds, forming chains propagating along [010]. The cations are attached to the chain of anions by N—H...O hydrogen bonds.

A spectroscopic study of the hydrogen bonding and pi-pi stacking interactions of harmane with quinoline.

Science.gov (United States)

Balón, M; Guardado, P; Muñoz, M A; Carmona, C

1998-01-01

A spectroscopic (UV-vis, Fourier transform IR, steady state, and time-resolved fluorescence) study of the interactions of the ground and excited singlet states of harmane (1-methyl-9H-pyrido/3,4-b/indole) with quinoline has been carried out in cyclohexane, toluene, and buffered pH=8.7 aqueous solutions. To analyze how the number of rings in the substrate influences these interactions, pyridine and phenanthridine have also been included in this study. In cyclohexane and toluene 1:1 stoichiometric hydrogen-bonded complexes are formed in both the ground and the excited singlet states. As the number of rings of the benzopyridines and the solvent polarity increase hydrogen-bonding interactions weaken and pi-pi van der Waals interactions become apparent.

Carbon and hydrogen isotope fractionation during aerobic biodegradation of quinoline and 3-methylquinoline.

Science.gov (United States)

Cui, Mingchao; Zhang, Wenbing; Fang, Jun; Liang, Qianqiong; Liu, Dongxuan

2017-08-01

Compound-specific isotope analysis has been used extensively to investigate the biodegradation of various organic pollutants. To date, little isotope fractionation information is available for the biodegradation of quinolinic compounds. In this study, we report on the carbon and hydrogen isotope fractionation during quinoline and 3-methylquinoline aerobic microbial degradation by a Comamonas sp. strain Q10. Degradation of quinoline and 3-methylquinoline was accompanied by isotope fractionation. Large hydrogen and small carbon isotope fractionation was observed for quinoline while minor carbon and hydrogen isotope fractionation effects occurred for 3-methylquinoline. Bulk carbon and hydrogen enrichment factors (ε bulk ) for quinoline biodegradation were -1.2 ± 0.1 and -38 ± 1‰, respectively, while -0.7 ± 0.1 and -5 ± 1‰ for 3-methylquinoline, respectively. This reveals a potential advantage for employing quinoline as the model compound and hydrogen isotope analysis for assessing aerobic biodegradation of quinolinic compounds. The apparent kinetic isotope effects (AKIE C ) values of carbon were 1.008 ± 0.0005 for quinoline and 1.0048 ± 0.0005 for 3-methylquinoline while AKIE H values of hydrogen of 1.264 ± 0.011 for quinoline and 1.0356 ± 0.0103 for 3-methylquinoline were obtained. The combined evaluation of carbon and hydrogen isotope fractionation yields Λ values (Λ = Δδ 2 H/Δδ 13 C ≈ εH bulk /εC bulk ) of 29 ± 2 for quinoline and 8 ± 2 for 3-methylquinoline. The results indicate that the substrate specificity may have a significant influence on the isotope fractionation for the biodegradation of quinolinic compounds. The substrate-specific isotope enrichment factors would be important for assessing the behavior and fate of quinolinic compounds in the environment.

1-(4-Methyl­phenyl­sulfon­yl)-5,6-di­nitro-1H-indazole

Science.gov (United States)

Oulemda, Bassou; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen

2014-01-01

In the title compound, C14H10N4O6S, the indazole ring system is almost perpendicular to the tosyl ring, as indicated by the dihedral angle of 89.40 (9)° between their planes. The dihedral angles between the indazole system and the nitro groups are 57.0 (3) and 31.9 (3)°. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming chains running along [100]. PMID:24526962

Synthesis and antiplasmodial evaluation of novel (4-aminobutyloxy)quinolines.

Science.gov (United States)

Vandekerckhove, Stéphanie; Müller, Christian; Vogt, Dieter; Lategan, Carmen; Smith, Peter J; Chibale, Kelly; De Kimpe, Norbert; D'hooghe, Matthias

2013-01-01

A variety of 5-, 6- and 8-(4-aminobutyloxy)quinolines as novel oxygen analogues of known 4- and 8-(4-aminobutylamino)quinoline antimalarial drugs was generated from hydroxyquinolines through a three-step approach with a rhodium-catalyzed hydroformylation as the key step. Antiplasmodial assays of these new quinolines revealed micromolar potency for all representatives against a chloroquine-sensitive strain of Plasmodium falciparum, and three compounds showed submicromolar activity against a chloroquine-resistant strain of P. falciparum with IC(50)-values ranging between 150 and 680 nM. Copyright © 2012 Elsevier Ltd. All rights reserved.

Degradation of quinoline and isoquinoline by vacuum ultraviolet light and mechanism thereof

International Nuclear Information System (INIS)

Zhu Dazhang; Ni Yaming; Sun Dongmei; Wang Shilong; Sun Xiaoyu; Yao Side

2010-01-01

Since the wavelength is shorter than 190 nm, vacuum ultraviolet light has high energy enough to break the H-O bonds of water to produce HO·, as well as the protection is very easy, degradation of organic contaminants in water by vacuum ultraviolet light has obviously excellent feature of no reagent adding to the wastewater among advanced oxidation technologies. In this paper, it was reported that quinoline and isoquinoline were degraded in water by the irradiation of low-pressure quartz mercury light with the electric power of 200 W which mainly emitted the light of 185 nm and 254 nm. The change regulation of the concentration of substrates, chemical oxygen demand (COD) and total organic carbon (TOC) were investigated as well as the degradation processes of quinoline and isoquinoline were compared. It showed that both quinoline and isoquinoline could be degraded very fast under the given conditions. The concentration of the substrates decreased to nearly 0 in 10 minutes while the apparent first reaction rate constants were 0.41 ± 0.02 min -1 and 0.19 ± 0.01 min -1 , respectively. Meanwhile, the COD and TOC decreased to nearly 0 in 30 minutes. Quinoline has the faster degradation rate. In order to investigate mechanism thereof, pulse radiolysis and laser flash photolysis of quinoline and isoquinoline aqueous solution were performed, respectively. Pulse radiolysis indicated that the reaction rate constant of quinoline and HO· was faster than that of isoquinoline. In the meanwhile, laser flash photolysis indicated that both quinoline and isoquinoline could be ionized by the UV-C light while the photo-ionization efficiency of quinoline was higher than that of quinoline. These two reasons caused the faster degradation rate of quinoline. (authors)

Quinoline hybrids and their antiplasmodial and antimalarial activities.

Science.gov (United States)

Hu, Yuan-Qiang; Gao, Chuan; Zhang, Shu; Xu, Lei; Xu, Zhi; Feng, Lian-Shun; Wu, Xiang; Zhao, Feng

2017-10-20

Malaria, in particular infection with P. falciparum (the most lethal of the human malaria parasite species, responsible for nearly one million deaths every year), is one of the most devastating and common infectious disease throughout the world. Beginning with quinine, quinoline containing compounds have long been used in clinical treatment of malaria and remained the mainstays of chemotherapy against malaria. The emergence of P. falciparum strains resistant to almost all antimalarials prompted medicinal chemists and biologists to study their effective replacement with an alternative mechanism of action and new molecules. Combination with variety of quinolines and other active moieties may increase the antiplasmodial and antimalarial activities and reduce the side effects. Thus, hybridization is a very attractive strategy to develop novel antimalarials. This review aims to summarize the recent advances towards the discovery of antiplasmodial and antimalarial hybrids including quinoline skeleton to provide an insight for rational designs of more active and less toxic quinoline hybrids antimalarials. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Tandem pseudopericyclic reactions: [1,5]-X sigmatropic shift/6pi-electrocyclic ring closure converting N-(2-X-carbonyl)phenyl ketenimines into 2-X-quinolin-4(3H)-ones.

Science.gov (United States)

Alajarín, Mateo; Ortín, María-Mar; Sanchez-Andrada, Pilar; Vidal, Angel

2006-10-13

N-(2-X-Carbonyl)phenyl ketenimines undergo, under mild thermal conditions, [1,5]-migration of the X group from the carbonyl carbon to the electron-deficient central carbon atom of the ketenimine fragment, followed by a 6pi-electrocyclic ring closure of the resulting ketene to provide 2-X-substituted quinolin-4(3H)-ones in a sequential one-pot manner. The X groups tested are electron-donor groups, such as alkylthio, arylthio, arylseleno, aryloxy, and amino. When involving alkylthio, arylthio, and arylseleno groups, the complete transformation takes place in refluxing toluene, whereas for aryloxy and amino groups the starting ketenimines must be heated at 230 degrees C in a sealed tube in the absence of solvent. The mechanism for the conversion of these ketenimines into quinolin-4(3H)-ones has been studied by ab initio and DFT calculations, using as model compounds N-(2-X-carbonyl)vinyl ketenimines bearing different X groups (X = F, Cl, OH, SH, NH(2), and PH(2)) converting into 4(3H)-pyridones. This computational study afforded two general reaction pathways for the first step of the sequence, the [1,5]-X shift, depending on the nature of X. When X is F, Cl, OH, or SH, the migration occurs in a concerted mode, whereas when X is NH(2) or PH(2), it involves a two-step sequence. The order of migratory aptitudes of the X substituents at the acyl group is predicted to be PH(2) > Cl > SH > NH(2) > F> OH. The second step of the full transformation, the 6pi-electrocyclic ring closure, is calculated to be concerted and with low energy barriers in all the cases. We have included in the calculations an alternative mode of cyclization of the N-(2-X-carbonyl)vinyl ketenimines, the 6pi-electrocyclic ring closure leading to 1,3-oxazines that involves its 1-oxo-5-aza-1,3,5-hexatrienic system. Additionally, the pseudopericyclic topology of the transition states for some of the [1,5]-X migrations (X = F, Cl, OH, SH), for the 6pi-electrocyclization of the ketene intermediates to the 4

Synthesis and antiplasmodial evaluation of novel (4-aminobutyloxy)quinolines

NARCIS (Netherlands)

Vandekerckhove, S.; Mueller, C.; Vogt, D.; Lategan, C.; Smith, P.J.; Chibale, K.; Kimpe, de N.; D'hooghe, M.W.A.

2013-01-01

A variety of 5-, 6- and 8-(4-aminobutyloxy)quinolines as novel oxygen analogues of known 4- and 8-(4-aminobutylamino)quinoline antimalarial drugs was generated from hydroxyquinolines through a three-step approach with a rhodium-catalyzed hydroformylation as the key step. Antiplasmodial assays of

Thermodynamics of organic mixtures containing amines. VIII. Systems with quinoline

Energy Technology Data Exchange (ETDEWEB)

Gonzalez, Juan Antonio [G.E.T.E.F., Grupo Especializado en Termodinamica de Equilibrio entre Fases, Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, E-47071 Valladolid (Spain)], E-mail: jagl@termo.uva.es; Domanska, Urszula; Zawadzki, Maciej [Physical Chemistry Division, Faculty of Chemistry, Warsaw University of Technology, 00-664 Warsaw (Poland)

2008-08-15

(Solid + liquid) equilibrium temperatures for mixtures containing quinoline and 1-dodecanol, 1-hexadecanol, or 1-octadecanol have been measured using a dynamic method. (Quinoline + benzene, +alkane, or +1-alkanol) systems were investigated using DISQUAC. The corresponding interaction parameters are reported. The model yields a good representation of molar excess Gibbs free energies, G{sup E}, molar excess enthalpies, H{sup E}, and of the (solid + liquid) equilibria, SLE. Interactional and structural effects were analysed comparing H{sup E} and the molar excess internal energy at constant volume, U{sub V}{sup E}. It was encountered that structural effects are very important in systems involving alkanes or 1-alkanols. Interactions between amine molecules are stronger in mixtures with quinoline than in those containing pyridine, which was ascribed to the higher polarizability of quinoline.

Photocytotoxicity of a 5-nitrofuran-ethenyl-quinoline antiseptic (Quinifuryl to P388 mouse leukemia cells

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Daghastanli N.A.

2004-01-01

Full Text Available Quinifuryl (MW 449.52, 2-(5'-nitro-2'-furanylethenyl-4-{N-[4'-(N,N-diethylamino-1'-methylbutyl]carbamoyl} quinoline, is a water soluble representative of a family of 5-nitrofuran-ethenyl-quinoline drugs which has been shown to be highly toxic to various lines of transformed cells in the dark. In the present study, the toxicity of Quinifuryl to P388 mouse leukemia cells was compared in the dark and under illumination with visible light (390-500 nm. Illumination of water solutions of Quinifuryl (at concentrations ranging from 0.09 to 9.0 µg/ml in the presence of P388 cells resulted in its photodecomposition and was accompanied by elevated cytotoxicity. A significant capacity to kill P388 cells was detected at a drug concentration as low as 0.09 µg/ml. The toxic effect detected at this drug concentration under illumination exceeded the effect observed in the dark by more than three times. Moreover, the general toxic effect of Quinifuryl, which included cell proliferation arrest, was nearly 100%. Both dose- and time-dependent toxic effects were measured under illumination. The LC50 value of Quinifuryl during incubation with P388 cells was ~0.45 µg/ml under illumination for 60 min and >12 µg/ml in the dark. We have demonstrated that the final products of the Quinifuryl photolysis are not toxic, which means that the short-lived intermediates of Quinifuryl photodecomposition are responsible for the phototoxicity of this compound. The data obtained in the present study are the first to indicate photocytotoxicity of a nitroheterocyclic compound and demonstrate the possibility of its application as a photosensitizer drug for photochemotherapy.

1,2,3,3-Tetramethyl-7-nitro-3,4-dihydroisoquinolinium tetrafluoroborate

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Mouna Bouzid

2016-04-01

Full Text Available The title salt, C13H17N2O2+·BF4−, was prepared by the methylation of the imine with Meerwein salt in dichloromethane. The asymmetric unit comprises a 1,3,3-trimethyl-7-nitro-3,4-dihydroisoquinolinium cation and a tetrafluoroborate anion. The coordination around the boron atom in the tetrafluoroborate anion is tetrahedral. The heterocyclic ring adopts a half-chair conformation. The crystal packing is governed by means of C—H...F contacts, which lead to the formation of a three-dimensional network.

An experimental screen for quinoline/fumaric acid salts and co-crystals

DEFF Research Database (Denmark)

Beko, S. L.; Schmidt, M. U.; Bond, A. D.

2012-01-01

. Characterised products include the previously published 1 : 1 salt, C9H8N+center dot C4H3O4-, and a new 2 : 1 quinoline/fumaric acid co-crystal, (C9H7N)(2)center dot C4H4O4. Attempts to influence the crystallisation outcome by addition of 6-methylquinoline yielded a second co-crystal, also with an inherent 2......An experimental screen has been carried out for salts and co-crystals of quinoline (C9H7N) and fumaric acid (C4H4O4), including solution-based co-crystallisation from a variety of solvents, solvent-assisted and solvent-free co-grinding, and direct co-crystallisation of the starting materials...... : 1 quinoline/fumaric acid ratio, as a solid solution containing ca. 75% 6-methylquinoline and 25% quinoline. The corresponding co-crystal with pure 6-methylquinoline, (C10H9N)(2)center dot C4H4O4, was prepared, but the analogous structure with pure quinoline could not be obtained. Energy minimisation...

Crystal structure of a new monoclinic polymorph of N-(4-methyl-phen-yl)-3-nitro-pyridin-2-amine.

Science.gov (United States)

Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R T

2014-08-01

The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z' = 4) of the previously reported monoclinic (P21/c, with Z' = 2) form [Akhmad Aznan et al. (2010 ▶). Acta Cryst. E66, o2400]. Four independent mol-ecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intra-molecular amine-nitro N-H⋯O hydrogen bond. The differences between mol-ecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6-311 g+(d,p) basis set] has the same features except that the entire mol-ecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C-H⋯O, C-H⋯π, nitro-N-O⋯π and π-π inter-actions [inter-centroid distances = 3.649 (2)-3.916 (2) Å].

Synthesis and evaluation of alpha-[[(2-haloethyl)amino]methyl]-2- nitro-1H-imidazole-1-ethanols as prodrugs of alpha-[(1-aziridinyl)methyl]-2- nitro-1H-imidazole-1-ethanol (RSU-1069) and its analogues which are radiosensitizers and bioreductively activated cytotoxins

International Nuclear Information System (INIS)

Jenkins, T.C.; Naylor, M.A.; O'Neill, P.; Threadgill, M.D.; Cole, S.; Stratford, I.J.; Adams, G.E.; Fielden, E.M.; Suto, M.J.; Stier, M.A.

1990-01-01

alpha-[(1-Aziridinyl)methyl]-2-nitro-1H-imidazole-1-ethanols, of general formula ImCH2CH(OH)CH2NCR1R2CR3R4, where Im = 2-nitroimidazole and R1, R2, R3, R4 = H, Me, are radiosensitizers and selective bioreductively activated cytotoxins toward hypoxic tumor cells in vitro and in vivo. Treatment of the aziridines with hydrogen halide in acetone or aqueous acetone gave the corresponding 2-haloethylamines of general formula ImCH2CH(OH)CH2(+)-NH2CR1R2CR3R4X X-, where R1, R2, R3, R4 = H, Me, and X = F, Cl, Br, I. These 2-haloethylamines were evaluated as prodrugs of the parent aziridines. The rates of ring closure in aqueous solution at pH approximately 6 were found to increase with increasing methyl substitution and to depend on the nature of the leaving group (I approximately Br greater than Cl much greater than F). A competing reaction of ImCH2CH(OH)CH2+NH2CH2CH2X X- (X = Cl, Br) with aqueous HCO3- ions gives 3-[2-hyroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]-2-oxazolidinone. The activities of these prodrugs as radiosensitizers or as bioreductively activated cytotoxins were consistent with the proportion converted to the parent aziridine during the course of the experiment. alpha-[[(2-Bromoethyl)amino]methyl]-2-nitro-1H-imidazole-1- ethanol (RB 6145, 10), the prodrug of alpha-[(1-aziridinyl)methyl]-2-nitro-1H-imidazole-1-ethanol (RSU-1069, 3), is identified as the most useful compound in terms of biological activity and rate of ring closure under physiological conditions

Biological Activity Predictions and Hydrogen Bonding Analysis in Quinolines

Science.gov (United States)

Gupta, Palvi; Kamni

The paper has been designed to make a comprehensive review of a particular series of organic molecular assembly in the form of compendium. An overview of general description of fifteen quinoline derivatives has been given. The biological activity spectra of quinoline derivatives have been correlated on structure activity relationships base which provides the different Pa (possibility of activity) and Pi (possibility of inactivity) values. Expositions of the role of intermolecular interactions in the identified derivatives have been discussed with the standard distance and angle cut-off criteria criteria as proposed by Desiraju and Steiner (1999) in an International monogram on crystallography. Distance-angle scatter plots for intermolecular interactions are presented for a better understanding of the packing interactions which exist in quinoline derivatives.

Uptake and fate of phenol, aniline and quinoline in terrestrial plants

International Nuclear Information System (INIS)

Cataldo, D.A.; Bean, R.M.; Fellows, R.J.

1987-06-01

The bioavailability and chemical fate of xenobiotics in terrestrial plants can influence the impact of fossil fuel development on the human food chain. To determine the relative behavior of organic residues representing a range of chemical classes, we compared the rates of root absorption, tissue distribution and chemical fate of phenol, aniline and quinoline in soybean plants. Root absorption rates for these compounds were 180, 13 and 30 μg/g (fresh weight) root/day, respectively. Following uptake, aniline was concentrated in the root, while phenol and quinoline were evenly distributed in roots and leaves. After accumulation, phenol was readily decomposed, and its carbon was respired. While aniline was susceptible to oxidative decomposition, it persisted in leaves and roots; 25% of the soluble activity represented aniline, and a significant fraction was bound or conjugated to cell constitutents. Quinoline persisted both in the parent form and as metabolic products. However, in leaves, additional compounds were found that were chemically similar to quinoline; these were not found in unexposed plants. A substantial fraction of the quinoline accumulated by leaves was emitted to the atmosphere by volatilization. 12 refs., 5 tabs., 2 figs

Kinetic interaction in hydrogenitrogenation of quinoline and acridine

International Nuclear Information System (INIS)

El-Bishtawi, R.F.; Seapan, M.

1988-01-01

Liquid fossil fuels contain numerous nitrogen compounds. During hydrodenitrogenation processes, these compounds for the active catalytic sites, with each compound affecting the kinetics of the other compounds. An understanding of the kinetic interaction is essential in using the results of model compound kinetics to predict the behavior of complex mixtures. In this work, the authors study the hydrodenitrogenation of quinoline and acridine in n-hexadecane over a commercial nickel-molybdenum catalyst in a batch autoclave reactor at 8.3 MPa (1200 psig) and 357-390 0 C. The reaction networks and kinetics of individual compounds were developed. These results confirm the existing knowledge of reaction networks for quinoline and acridine. Furthermore, their experiments show that formation for o-ethylaniline, o-toluidine and aniline are also important steps in quinoline denitrogenation. For total nitrogen removal, a dual site Langmuir-Hinshelwood type model considering separate sites for adsorption of hydrogen and nitrogen compounds give the best fit

Efficient 'One Pot' Nitro Reduction-Protection of γ-Nitro Aliphatic Methyl Esters

OpenAIRE

Díaz-Coutiño, Francisco D.; Escalante, Jaime

2009-01-01

A simple and efficient protocol has been developed for the direct conversion of γ-nitro aliphatic methyl esters to N-(tert-butoxycarbonyl)amine methyl esters using NH4+HCO2- and Pd/C in the presence of (Boc)2O. There was a significant decrease in the reaction time under these conditions, increased yields and the purity of the products using this 'one pot' procedure. Un protocolo simple y eficiente de síntesis ha sido desarrollado para la conversión directa de metil ésteres de γ-nitro alifá...

Quinoline-2-thiol Derivatives as Fluorescent Sensors for Metals, pH and HNO

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Naphtali A. O’Connor

2014-06-01

Full Text Available A tautomeric equilibrium exists for quinoline-2-thiol and quinoline-2(1H-thione. Quantum mechanical calculations predict the thione is the major tautomer and this is confirmed by the absorption spectra. The utility of quinolone-2-thiol/quinoline-2(1H-thione as a chromophore for developing fluorescent sensors is explored. No fluorescence is observed when excited at absorption maxima, however a fluorescence increase is observed when exposed to HNO, a molecule of import as a cardiovascular therapeutic. Alkylated quinoline-2-thiol derivatives are found to be fluorescent and show a reduction in fluorescence when exposed to metals and changes in pH.

Quinolines in clothing textiles--a source of human exposure and wastewater pollution?

Science.gov (United States)

Luongo, Giovanna; Thorsén, Gunnar; Ostman, Conny

2014-05-01

A production process in which the use of various types of chemicals seems to be ubiquitous makes the textile industry a growing problem regarding both public health as well as the environment. Among several substances used at each stage, the present study focuses on the quinolines, a class of compounds involved in the manufacture of dyes, some of which are skin irritants and/or classified as probable human carcinogens. A method was developed for the determination of quinoline derivatives in textile materials comprising ultrasound-assisted solvent extraction, solid phase extraction cleanup, and final analysis by gas chromatography/mass spectrometry. Quinoline and ten quinoline derivatives were determined in 31 textile samples. The clothing samples, diverse in color, material, brand, country of manufacture, and price, and intended for a broad market, were purchased from different shops in Stockholm, Sweden. Quinoline, a possible human carcinogen, was found to be the most abundant compound present in almost all of the samples investigated, reaching a level of 1.9 mg in a single garment, and it was found that quinoline and its derivatives were mainly correlated to polyester material. This study points out the importance of screening textiles with nontarget analysis to investigate the presence of chemicals in an unbiased manner. Focus should be primarily on clothing worn close to the body.

Liver dysfunction among workers handling 5-nitro-o-toluidine.

Science.gov (United States)

Shimizu, H; Kumada, T; Nakano, S; Kiriyama, S; Sone, Y; Honda, T; Watanabe, K; Nakano, I; Fukuda, Y; Hayakawa, T

2002-02-01

5-Nitro-o-toluidine is an aromatic nitro amino compound. While other aromatic compounds are known to damage the human liver and are registered as toxic substances, toxicity information concerning 5-nitro-o-toluidine is lacking. To investigate the hepatotoxicity of 5-nitro-o-toluidine. Of 15 workers in the same factory who handled 5-nitro-o-toluidine, three were hospitalised with symptoms of acute liver dysfunction. Suspecting a link between liver dysfunction and working conditions, we correlated workplace factors with clinical findings in all 15 workers. Blood biochemistry tests indicated liver damage in seven of 15 study subjects. Workers who handled 5-nitro-o-toluidine and nitrosyl sulphuric acid often loosened their respiratory protective equipment shortly after 5-nitro-o-toluidine powder had been dispersed into the air of the room. No potential hepatotoxins were present except for 5-nitro-o-toluidine. Six of the affected workers had handled 5-nitro-o-toluidine 12 to 20 times; the seventh worker had handled the powder three times; and the other eight workers without liver dysfunction had handled the material once or twice. No other significant differences in background were evident between the affected and unaffected workers, such as age, sex, or protective measures. Histological findings during recovery from liver damage were similar to those of acute viral hepatitis. None of the 15 subjects has demonstrated liver damage since the factory was closed. A link between liver dysfunction and 5-nitro-o-toluidine exposure is suggested by greater severity of liver dysfunction associated with more episodes of handling.

Monolithic optofluidic ring resonator lasers created by femtosecond laser nanofabrication.

Science.gov (United States)

Chandrahalim, Hengky; Chen, Qiushu; Said, Ali A; Dugan, Mark; Fan, Xudong

2015-05-21

We designed, fabricated, and characterized a monolithically integrated optofluidic ring resonator laser that is mechanically, thermally, and chemically robust. The entire device, including the ring resonator channel and sample delivery microfluidics, was created in a block of fused-silica glass using a 3-dimensional femtosecond laser writing process. The gain medium, composed of Rhodamine 6G (R6G) dissolved in quinoline, was flowed through the ring resonator. Lasing was achieved at a pump threshold of approximately 15 μJ mm(-2). Detailed analysis shows that the Q-factor of the optofluidic ring resonator is 3.3 × 10(4), which is limited by both solvent absorption and scattering loss. In particular, a Q-factor resulting from the scattering loss can be as high as 4.2 × 10(4), suggesting the feasibility of using a femtosecond laser to create high quality optical cavities.

Electrochemical sensor for hazardous food colourant quinoline yellow based on carbon nanotube-modified electrode.

Science.gov (United States)

Zhao, Jun; Zhang, Yu; Wu, Kangbing; Chen, Jianwei; Zhou, Yikai

2011-09-15

A novel electrochemical method using multi-wall carbon nanotube (MWNT) film-modified electrode was developed for the detection of quinoline yellow. In pH 8 phosphate buffer, an irreversible oxidation peak at 0.71V was observed for quinoline yellow. Compared with the unmodified electrode, the MWNT film-modified electrode greatly increases the oxidation peak current of quinoline yellow, showing notable enhancement effect. The effects of pH value, amount of MWNT, accumulation potential and time were studied on the oxidation peak current of quinoline yellow. The linear range is from 0.75 to 20mgL(-1), and the limit of detection is 0.5mgL(-1). It was applied to the detection of quinoline yellow in commercial soft drinks, and the results consisted with the value that obtained by high-performance liquid chromatography. Copyright © 2011 Elsevier Ltd. All rights reserved.

Raman Spectra and Intermolecular Hydrogen Bonds of Quinoline in Solutions

International Nuclear Information System (INIS)

Tukhvatullin, F.H.; Jumabayev, A.; Hushvaktov, H.; Absanov, A.; Hudoyberdiev, B.

2012-01-01

The half-widths of the 1014- and 1033-cm -1 bands of the Raman spectrum of quinoline at its dilution in neutral solvents (benzene, CCl 4 ) are narrowed by 1.3-1.5 times at high dilutions. This effect is associated with the increased time of the vibrational relaxation. For the 520-cm -1 band in pure liquid quinoline, the parallel polarized component at 20 o C is asymmetric in the high-frequency region. The shape of the perpendicular polarized component is complicated. A non-coincidence of the peak frequencies of the parallel and perpendicular polarized components is observed (∼ 2 cm -1 ). Quantum-chemical calculations showed that, in the region of 520 cm -1 for a monomer molecule, we should really have two near located lines with the wavenumbers 530 and 527 cm -1 (scaling factor 0.97), and with the depolarization ratios 0.61 and 0.26. In the solutions with propan-2-ol, the 1033.8-cm -1 band becomes of a doublet character. The resolution of the doublet becomes better by the dilution of a binary quinoline-alcohol solution with a large amount of a neutral solvent (benzene). The wavenumbers of bands in the triple mixture are 1033 cm -1 and 1039 cm -1 . The doublet nature of the band in the binary and triple mixtures is associated with the presence of monomer molecules and quinoline-propan-2-ol aggregates (the high-frequency line) in the liquid mixture. Quantum-chemical calculations showed that the hydrogen bonds with a length of 1.958 A and an energy gain of 22.0 kJ/mole can be formed between molecules of quinoline and alcohol. The formation of aggregates can be also detected in the 820-cm -1 band of propan-2-ol. A similar picture is observed for the 667-cm -1 band of chloroform in its solution with quinoline.

Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT

Science.gov (United States)

Błaziak, Kacper; Panek, Jarosław J.; Jezierska, Aneta

2015-07-01

Quinoline derivatives are interesting objects to study internal reorganizations due to the observed excited-state-induced intramolecular proton transfer (ESIPT). Here, we report on computations for selected 12 quinoline derivatives possessing three kinds of intramolecular hydrogen bonds. Density functional theory was employed for the current investigations. The metric and electronic structure simulations were performed for the ground state and first excited singlet and triplet states. The computed potential energy profiles do not show a spontaneous proton transfer in the ground state, whereas excited states exhibit this phenomenon. Atoms in Molecules (AIM) theory was applied to study the nature of hydrogen bonding, whereas Harmonic Oscillator Model of aromaticity index (HOMA) provided data of aromaticity evolution as a derivative of the bridge proton position. The AIM-based topological analysis confirmed the presence of the intramolecular hydrogen bonding. In addition, using the theory, we were able to provide a quantitative illustration of bonding transformation: from covalent to the hydrogen. On the basis of HOMA analysis, we showed that the aromaticity of both rings is dependent on the location of the bridge proton. Further, the computed results were compared with experimental data available. Finally, ESIPT occurrence was compared for the three investigated kinds of hydrogen bridges, and competition between two bridges in one molecule was studied.

Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT

International Nuclear Information System (INIS)

Błaziak, Kacper; Panek, Jarosław J.; Jezierska, Aneta

2015-01-01

Quinoline derivatives are interesting objects to study internal reorganizations due to the observed excited-state-induced intramolecular proton transfer (ESIPT). Here, we report on computations for selected 12 quinoline derivatives possessing three kinds of intramolecular hydrogen bonds. Density functional theory was employed for the current investigations. The metric and electronic structure simulations were performed for the ground state and first excited singlet and triplet states. The computed potential energy profiles do not show a spontaneous proton transfer in the ground state, whereas excited states exhibit this phenomenon. Atoms in Molecules (AIM) theory was applied to study the nature of hydrogen bonding, whereas Harmonic Oscillator Model of aromaticity index (HOMA) provided data of aromaticity evolution as a derivative of the bridge proton position. The AIM-based topological analysis confirmed the presence of the intramolecular hydrogen bonding. In addition, using the theory, we were able to provide a quantitative illustration of bonding transformation: from covalent to the hydrogen. On the basis of HOMA analysis, we showed that the aromaticity of both rings is dependent on the location of the bridge proton. Further, the computed results were compared with experimental data available. Finally, ESIPT occurrence was compared for the three investigated kinds of hydrogen bridges, and competition between two bridges in one molecule was studied

Quinolinium 8-hy-droxy-7-iodo-quinoline-5-sulfonate 0.8-hydrate.

Science.gov (United States)

Smith, Graham

2012-12-01

In the crystal structure of the title hydrated quinolinium salt of ferron (8-hy-droxy-7-iodo-quinoline-5-sulfonic acid), C9H7N(+)·C9H5INO4S(-)·0.8H2O, the quinolinium cation is fully disordered over two sites (occupancy factors fixed at 0.63 and 0.37) lying essentially within a common plane and with the ferron anions forming π-π-associated stacks down the b axis [minimum ring centroid separation = 3.462 (6) Å]. The cations and anions are linked into chains extending along c through hy-droxy O-H⋯O and quinolinium N-H⋯O hydrogen bonds to sulfonate O-atom acceptors which are also involved in water O-H⋯O hydrogen-bonding inter-actions along b, giving a two-dimensional network.

Crystal structure of (Z-ethyl 3-[2-(5-methyl-7-nitro-1H-indole-2-carbonylhydrazinylidene]butanoate

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Amal Errossafi

2015-09-01

Full Text Available The reaction of 5-methyl-7-nitro-1H-indole-2-carbohydrazide with ethyl acetoacetate yielded the title molecule, C16H18N4O5, in which the indole ring is almost planar, with the greatest deviation from the mean plane being 0.006 (2 Å. The nine atoms of the indole ring are almost perpendicular to the mean plane through the ethyl acetate group, as indicated by the dihedral angle of 87.02 (4° between them. In the crystal, centrosymmetric supramolecular dimers are formed via N—H...O hydrogen bonds and eight-membered amide {...HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H...O contacts, and by π–π interactions between six-membered rings [inter-centroid distance = 3.499 (2 Å].

Synthesis of 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives

International Nuclear Information System (INIS)

Elhadi, S. A.

2004-09-01

Quinolin derivatives are a group of compounds known to possess a wide range of biological activities. The chemistry of quinolines together with their corresponding aldehydes were dealt with in chapter one of this study. Special emphasis was given to the chemistry of benzaldehyde. Twenty five 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives together with their corresponding intermediates were prepared in this work. Basically, the synthetic design of these compounds arise from the appropriate disconnections of the target 2-phenyl and 2,3-diphenyl-quinolin-4-carboxylic acids. The retro synthesis analysis of these compounds reveals pyruvic acid, aromatic amine and benzaldehyde or phenyl pyruvic acid, aromatic amine and benzaldehyde as possible logical precursors for 2-phenyl-and 2,3-diphenyl- quinoline-4-carboxylic acids respectively. The purity and identities of the synthesized compounds were elucidated through chromatographic and spectroscopic techniques. The compounds were heavily subjected to spectroscopic analysis (UV, IR, GC/MS, 1 H-and 13 C- NMR). The appropriate disconnections and the mechanisms of the corresponding reactions were given and discussed in chapter three. The spectral data were interpreted and correlated with the target structures. The prepared 2-phenyl- and 2,3-diphenyl-quinoline-4-carboxylic acid derivatives were screened for their antibacterial activity. The compounds were tested against the standard bacterial organisms B. subtilis, S. aureus, E. coli and P. vulgaris. Some of these compounds were devoid of antibacterial activity against S. aureus and P. vulgaris, while others showed moderate activity. All of the tested compounds showed an activity against B. subtilis and E. coli. 2,3-diphenyl -6-sulphanilamide-quinolin-4-carboxylic acid showed the highest activity against the four standard tested organisms.(Author)

Synthesis of 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives

Energy Technology Data Exchange (ETDEWEB)

Elhadi, S A [Department of Chemistry, Faculty of Education, University of Khartoum, Khartoum (Sudan)

2004-09-01

Quinolin derivatives are a group of compounds known to possess a wide range of biological activities. The chemistry of quinolines together with their corresponding aldehydes were dealt with in chapter one of this study. Special emphasis was given to the chemistry of benzaldehyde. Twenty five 2-phenyl- and 2,3-diphenyl-quinolin-4-carboxylic acid derivatives together with their corresponding intermediates were prepared in this work. Basically, the synthetic design of these compounds arise from the appropriate disconnections of the target 2-phenyl and 2,3-diphenyl-quinolin-4-carboxylic acids. The retro synthesis analysis of these compounds reveals pyruvic acid, aromatic amine and benzaldehyde or phenyl pyruvic acid, aromatic amine and benzaldehyde as possible logical precursors for 2-phenyl-and 2,3-diphenyl- quinoline-4-carboxylic acids respectively. The purity and identities of the synthesized compounds were elucidated through chromatographic and spectroscopic techniques. The compounds were heavily subjected to spectroscopic analysis (UV, IR, GC/MS, {sup 1}H-and {sup 13}C- NMR). The appropriate disconnections and the mechanisms of the corresponding reactions were given and discussed in chapter three. The spectral data were interpreted and correlated with the target structures. The prepared 2-phenyl- and 2,3-diphenyl-quinoline-4-carboxylic acid derivatives were screened for their antibacterial activity. The compounds were tested against the standard bacterial organisms B. subtilis, S. aureus, E. coli and P. vulgaris. Some of these compounds were devoid of antibacterial activity against S. aureus and P. vulgaris, while others showed moderate activity. All of the tested compounds showed an activity against B. subtilis and E. coli. 2,3-diphenyl -6-sulphanilamide-quinolin-4-carboxylic acid showed the highest activity against the four standard tested organisms.(Author)

Dissociative photoionization of quinoline and isoquinoline

NARCIS (Netherlands)

Bouwman, J.; Sztáray, B.; Oomens, J.; Hemberger, P.; Bodi, A.

2015-01-01

Two nitrogen-containing polycyclic aromatic hydrocarbon isomers of C9H7N composition, quinoline, and isoquinoline have been studied by imaging photoelectron photoion coincidence spectroscopy at the VUV beamline of the Swiss Light Source. High resolution threshold photoelectron spectra have been

SYNTHESIS OF NOVEL INDOLO[3,2-c]QUINOLINES; ETHYL 3-CHLORO-9,11-DIMETHOXY INDOLO[3,2-c]QUINOLINE-6-CARBOXYLATE

Directory of Open Access Journals (Sweden)

Tutik Dwi Wahyuningsih

2010-06-01

Full Text Available -Carboline and its derivatives are significant due to their pharmacological importance. The synthesis of indolo[3,2-c]quinolines as a benzo analog of -carboline has been carried out via an oxime ether intermediate. Reaction of 2'-glyoxylic ester with hydroxylamine hydrochloride in the presence of sodium acetate afforded the oxime acetate in 82%. It was then treated with natrium and fluoro-2,4-dinitrobenzene in ethanol to give an orange solid of oxime ether acetate which is in subsequent treatment with a base yielded a pale yellow solid of indolo[3,2-c]carboline in 43%. Keywords: -carboline, oxime, indolo[3,2-c]quinoline.

75 FR 35807 - 2-(Hydroxymethyl)-2-nitro-1,3-propanediol (Tris Nitro); Notice of Receipt of Request to...

Science.gov (United States)

2010-06-23

... website is an ``anonymous access'' system, which means EPA will not know your identity or contact... Premises. 464-658 Tris Nitro\\TM\\ Brand of The Dow Chemical Use in metalworking 50% (Aqueous) For Company...; Livestock and poultry premises. 464-663 Tris Nitro\\TM\\ Brand of The Dow Chemical Use in paints, 50% Aqueous...

Nitro-Grela-type complexes containing iodides – robust and selective catalysts for olefin metathesis under challenging conditions

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Andrzej Tracz

2015-10-01

Full Text Available Iodide-containing nitro-Grela-type catalysts have been synthesized and applied to ring closing metathesis (RCM and cross metathesis (CM reactions. These new catalysts have exhibited improved efficiency in the transformation of sterically, non-demanding alkenes. Additional steric hindrance in the vicinity of ruthenium related to the presence of iodides ensures enhanced catalyst stability. The benefits are most apparent under challenging conditions, such as very low reaction concentrations, protic solvents or with the occurrence of impurities.

Efficient {pi} electrons delocalization in prospective push-pull non-linear optical chromophore 4-[N,N-dimethylamino]-4'-nitro stilbene (DANS): A vibrational spectroscopic study

Energy Technology Data Exchange (ETDEWEB)

Vijayakumar, T.; Hubert Joe, I. [Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram 695 015, Kerala (India); Reghunadhan Nair, C.P. [Polymers and Special Chemicals Division, Vikram Sarabhai Space Centre, Thiruvananthapuram 695 022, Kerala (India); Jayakumar, V.S. [Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram 695 015, Kerala (India)], E-mail: vsjk@vsnl.net

2008-01-22

A comprehensive investigation on the intramolecular charge transfer (ICT) of an efficient {pi}-conjugated potential push-pull NLO chromophore, 4-[N,N-dimethylamino]-4'-nitro stilbene (DANS), from a strong electron-donor group (dimethylamino-N(CH{sub 3}){sub 2}) to a strong electron-acceptor group (nitro-NO{sub 2}) through the {pi}-conjugated bridge (trans-stilbene) has been carried out from their vibrational spectra. The NIR FT-Raman and FT-IR spectra supported by the density functional theory (DFT) quantum chemical computations have been employed to analyze the effects of intramolecular charge transfer on the geometries and the vibrational modes contributing to the linear electro-optic effect of the organic NLO material. It has been observed that the changes in the endocyclic and exocyclic angles result from the charge-transfer interaction of the phenyl ring and the amino group in the electron-donor side of the NLO chromophore. The strongest vibrational modes contributing to the electro-optic effect have been identified and examined from the concurrent IR and Raman activation of {nu}(C=C/C-C) mode, ring C=C stretching modes, in-plane deformation modes, nitro modes and the umbrella mode of methyl groups. Furthermore, the splitting of the vinyl stretching modes and the electronic effects such as hyperconjugation and backdonation on the methyl hydrogen atoms causing the decrease of stretching frequencies and infrared intensities have also been analyzed in detail. The effect of frontier orbitals transition of electron density transfer and the influence of planarity between the phenyl rings of the stilbene moiety on the first hyperpolarizability have also been discussed.

Crystal structure of 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane.

Science.gov (United States)

Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D; Mallik, Uma Prasad

2014-09-01

The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C-H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin.

Crystallization and preliminary X-ray crystallographic analysis of human quinolinate phosphoribosyltransferase

International Nuclear Information System (INIS)

Kang, Gil Bu; Kim, Mun-Kyoung; Youn, Hyung-Seop; An, Jun Yop; Lee, Jung-Gyu; Park, Kyoung Ryoung; Lee, Sung Hang; Kim, Yongseong; Fukuoka, Shin-Ichi; Eom, Soo Hyun

2010-01-01

H. sapiens quinolinate phosphoribosyltransferase has been expressed, purified and crystallized. A diffraction data set has been collected and processed at 2.8 Å resolution. Quinolinate phosphoribosyltransferase (QPRTase) is a key NAD-biosynthetic enzyme which catalyzes the transfer of quinolinic acid to 5-phosphoribosyl-1-pyrophosphate, yielding nicotinic acid mononucleotide. Homo sapiens QPRTase (Hs-QPRTase) appeared as a hexamer during purification and the protein was crystallized. Diffraction data were collected and processed at 2.8 Å resolution. Native Hs-QPRTase crystals belonged to space group P2 1 , with unit-cell parameters a = 76.2, b = 137.1, c = 92.7 Å, β = 103.8°. Assuming the presence of six molecules in the asymmetric unit, the calculated Matthews coefficient is 2.46 Å 3 Da −1 , which corresponds to a solvent content of 49.9%

Computational and Experimental Study on Molecular Structure of Benzo[g]pyrimido[4,5-b]quinoline Derivatives: Preference of Linear over the Angular Isomer

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Jorge Trilleras

2017-09-01

Full Text Available A series of 5-aryl-2-methylthio-5,12-dihydrobenzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H-trione was synthesized through an environmental friendly multicomponent methodology and characterized with FT-IR (Fourier Transform infrared spectroscopy, 1H NMR (Nuclear Magnetic Resonance , 13C NMR and GC-MS (gas chromatography-mass spectrometry. The 5-(4-methoxyphenyl-2-methylthio-5,12-dihydrobenzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H-trione 4c compound was characterized by X-ray single crystal diffraction. The geometry of 4c has been fully optimized using DFT (Density functional theory, B3LYP functional and 6-31G(d,p basis set, thus establishing the ground state energy and thermodynamic features for the mentioned compound, which are in accordance with the experimental data and the crystal structure. The experimental results reveal a strong preference for the regioselective formation of 4c linear four fused rings over the angular four fused and suggest a possible kinetic control in product formation.

Topical electrophilic nitro-fatty acids potentiate cutaneous inflammation.

Science.gov (United States)

Mathers, Alicia R; Carey, Cara D; Killeen, Meaghan E; Salvatore, Sonia R; Ferris, Laura K; Freeman, Bruce A; Schopfer, Francisco J; Falo, Louis D

2018-02-01

Endogenous electrophilic fatty acids mediate anti-inflammatory responses by modulating metabolic and inflammatory signal transduction and gene expression. Nitro-fatty acids and other electrophilic fatty acids may thus be useful for the prevention and treatment of immune-mediated diseases, including inflammatory skin disorders. In this regard, subcutaneous (SC) injections of nitro oleic acid (OA-NO 2 ), an exemplary nitro-fatty acid, inhibit skin inflammation in a model of allergic contact dermatitis (ACD). Given the nitration of unsaturated fatty acids during metabolic and inflammatory processes and the growing use of fatty acids in topical formulations, we sought to further study the effect of nitro-fatty acids on cutaneous inflammation. To accomplish this, the effect of topically applied OA-NO 2 on skin inflammation was evaluated using established murine models of contact hypersensitivity (CHS). In contrast to the effects of subcutaneously injected OA-NO 2 , topical OA-NO 2 potentiated hapten-dependent inflammation inducing a sustained neutrophil-dependent inflammatory response characterized by psoriasiform histological features, increased angiogenesis, and an inflammatory infiltrate that included neutrophils, inflammatory monocytes, and γδ T cells. Consistent with these results, HPLC-MS/MS analysis of skin from psoriasis patients displayed a 56% increase in nitro-conjugated linoleic acid (CLA-NO 2 ) levels in lesional skin compared to non-lesional skin. These results suggest that nitro-fatty acids in the skin microenvironment are products of cutaneous inflammatory responses and, in high local concentrations, may exacerbate inflammatory skin diseases. Copyright © 2017 Elsevier Inc. All rights reserved.

The Ayurvedic drug, Ksheerabala, ameliorates quinolinic acid-induced oxidative stress in rat brain.

Science.gov (United States)

Swathy, S S; Indira, M

2010-01-01

One of the mechanisms of neurotoxicity is the induction of oxidative stress. There is hardly any cure for neurotoxicity in modern medicine, whereas many drugs in Ayurveda possess neuroprotective effects; however, there is no scientific validation for these drugs. Ksheerabala is an ayurvedic drug which is used to treat central nervous system disorders, arthritis, and insomnia. The aim of our study was to evaluate the effect of Ksheerabala on quinolinic acid-induced toxicity in rat brain. The optimal dose of Ksheerabala was found from a dose escalation study, wherein it was found that Ksheerabala showed maximum protection against quinolinic acid-induced neurotoxicity at a dose of 15 microL/100 g body weight/day, which was selected for further experiments. Four groups of female albino rats were maintained for 21 days as follows: 1. Control group, 2. Quinolinic acid (55 microg/100 g body weight), 3. Ksheerabala (15 microL/100 g body weight), 4. Ksheerabala (15 microL/100 g body weight) + Quinolinic acid (55 microg/100 g body weight). At the end of the experimental period, levels of lipid peroxidation products, protein carbonyls, and activities of scavenging enzymes were analyzed. The results revealed that quinolinic acid intake caused enhanced lipid and protein peroxidation as evidenced by increased levels of peroxidation products such as malondialdehyde, hydroperoxide, conjugated dienes, and protein carbonyls. On the other hand, the activities of scavenging enzymes such as catalase, superoxide dismutase (SOD), glutathione peroxidase, and glutathione reductase as well as the concentration of glutathione were reduced. On coadminstration of Ksheerabala along with quinolinic acid, the levels of all the biochemical parameters were restored to near-normal levels, indicating the protective effect of the drug. These results were reinforced by histopathological studies.

Removal of pyridine and quinoline by bio-zeolite composed of mixed degrading bacteria and modified zeolite

International Nuclear Information System (INIS)

Bai Yaohui; Sun Qinghua; Xing Rui; Wen Donghui; Tang Xiaoyan

2010-01-01

In the process of the biodegradation of pyridine and quinoline, ammonium is often generated because of the transformation of N from pyridine and quinoline. Zeolite has been proven to be an effective sorbent for the removal of the ammonium. The natural zeolite can be modified to be the macroporous carrier in the biological wastewater treatment process. In this study, a specific bio-zeolite composed of mixed bacteria (a pyridine-degrading bacterium and a quinoline-degrading bacterium) and modified zeolite was used for biodegradation and adsorption in two types of wastewater: sterile synthetic and coking wastewater. The experimental results indicated that pyridine and quinoline could be degraded simultaneously by the mixed bacteria. Furthermore, NH 4 + -N transformed from pyridine and quinoline could be removed by the modified zeolite. In addition, the bacterial community structures of the coking wastewater and the bio-zeolite were monitored by the amplicon length heterogeneity polymerase-chain reaction (LH-PCR) technique. Both LH-PCR results and scanning electron microscope (SEM) observations indicated that the microorganisms, including BW001 and BW003, could be easily attached on the surface of the modified zeolite and that the bio-zeolite could be used in the treatment of wastewater containing pyridine and/or quinoline.

Ultrasound mediated catalyst free synthesis of 6H-1-benzopyrano[4,3-b]quinolin-6-ones leading to novel quinoline derivatives: their evaluation as potential anti-cancer agents.

Science.gov (United States)

Mulakayala, Naveen; Rambabu, D; Raja, Mohan Rao; M, Chaitanya; Kumar, Chitta Suresh; Kalle, Arunasree M; Rama Krishna, G; Malla Reddy, C; Basaveswara Rao, M V; Pal, Manojit

2012-01-15

A facile and catalyst free synthesis of 6H-1-benzopyrano[4,3-b]quinolin-6-ones has been accomplished via the reaction of 4-chloro-2-oxo-2H-chromene-3-carbaldehyde with various aromatic amines in the presence of ultrasound. Some of these compounds were converted to the corresponding 2-(3-(hydroxymethyl)quinolin-2-yl)phenols and further structure elaboration of a representative quinoline derivative is presented. Molecular structure of two representative compounds was confirmed by single crystal X-ray diffraction study. Many of these compounds were evaluated for their anti-proliferative properties in vitro against four cancer cell lines and several compounds were found to be active. Further in vitro studies indicated that inhibition of sirtuins could be the possible mechanism of action of these molecules. Copyright © 2011 Elsevier Ltd. All rights reserved.

Excited-state intramolecular proton transfer (ESIPT) inspired azole-quinoline based fluorophores: Synthesis and photophysical properties study

Energy Technology Data Exchange (ETDEWEB)

Padalkar, Vikas S.; Sekar, Nagaiyan, E-mail: n.sekar@ictmumbai.edu.in

2014-11-15

7-Hydroxy-3-(4-nitrophenyl)quinoline-6-carboxylic acid was obtained by the condensation reaction of p-amino salicylic acid and 4-nitrophenylmalonadialdehyde which was obtained from phenylacetonitrile through nitration, hydrolysis and Vilsmeier reaction. 7-Hydroxy-3-(4-nitrophenyl) quinoline-6-carboxylic acid was condensed with different o-aminophenols or o-aminothiophenol in ethanol in the presence of phosphorustrichloride. Synthesized quinoline contained benzimidazole and benzothiazole moieties. Photophysical behaviors of these compounds in solvents of different polarities were studied using UV–vis and fluorescence spectroscopy. The compounds showed single absorption in all the studied solvents. The dual emissions (normal emission and ESIPT emission) as well as large Stokes' shift emission pattern were observed for the synthesized fluorophores. The photophysical study shows that the emission properties of the compounds depend on the solvent polarity. The photophysical properties of the compounds were compared with structurally analogous ESIPT quinoline. Thermal stability of the compounds was studied using thermogravimetric analysis and results show that compounds are thermally stable up to 300 °C. The synthesized quinoline derivatives were characterized using elemental analysis, FT-IR and {sup 1}H –NMR, {sup 13}C –NMR spectroscopy and mass spectral analysis. - Highlights: • First and unique study of quinoline derivatives contain ESIPT azole unit at 6-position and hydroxyl group at 7-position. • Compounds are fluorescent with considerable quantum yields. • All compounds showed absorption in ultraviolet region and emission in visible region with large Stokes' shift. • The photophysical properties of new compounds were compared with reported ESIPT quinoline analogous.

Application of Heteropoly Acids as Heterogeneous and Recyclable Catalysts for Friedländer Synthesis of Quinolines

Directory of Open Access Journals (Sweden)

Majid M. Heravi

2010-01-01

Full Text Available New convenient conditions for the Friedländer synthesis of quinolines are described. Quinolines were readily prepared in the presence of heteropolyacids as heterogeneous and recyclable catalysts in good yields.

γ-radiolysis of the quinoline

International Nuclear Information System (INIS)

Vieira, E.M.

1989-06-01

The chemical and radiolytic stability of products by radiation from quinoline in isopropanol solution was studied. Doses were from 2 x 10 4 to 3 x 10 5 Gy and concentration in the samples was L:L by volume. It has observed significant effects for high radiation doses. Lower doses affected the solvent with the production of long polymeric hydrocarbons. Products formed were characterized by capillary gas chromatography coupled to mass spectrometry (CG/MS). (author)

Novel Basic Mesoporous Catalysts for Friedländer Reaction from 2-Aminoaryl Ketones: Quinolin-2(1H)-ones vs. Quinolines

Czech Academy of Sciences Publication Activity Database

Domínguez-Fernández, F.; López-Sanz, J.; Pérez-Mayoral, E.; Bek, David; Martín-Aranda, R. M.; López-Peinado, A. J.; Čejka, Jiří

2009-01-01

Roč. 1, č. 2 (2009), s. 241-243 ISSN 1867-3880 R&D Projects: GA AV ČR KAN100400701 Institutional research plan: CEZ:AV0Z40400503 Keywords : quinolines * heterogeneous catalysis * basicity Subject RIV: CF - Physical ; Theoretical Chemistry

Nitro-fatty acid pharmacokinetics in the adipose tissue compartment.

Science.gov (United States)

Fazzari, Marco; Khoo, Nicholas K H; Woodcock, Steven R; Jorkasky, Diane K; Li, Lihua; Schopfer, Francisco J; Freeman, Bruce A

2017-02-01

Electrophilic nitro-FAs (NO 2 -FAs) promote adaptive and anti-inflammatory cell signaling responses as a result of an electrophilic character that supports posttranslational protein modifications. A unique pharmacokinetic profile is expected for NO 2 -FAs because of an ability to undergo reversible reactions including Michael addition with cysteine-containing proteins and esterification into complex lipids. Herein, we report via quantitative whole-body autoradiography analysis of rats gavaged with radiolabeled 10-nitro-[ 14 C]oleic acid, preferential accumulation in adipose tissue over 2 weeks. To better define the metabolism and incorporation of NO 2 -FAs and their metabolites in adipose tissue lipids, adipocyte cultures were supplemented with 10-nitro-oleic acid (10-NO 2 -OA), nitro-stearic acid, nitro-conjugated linoleic acid, and nitro-linolenic acid. Then, quantitative HPLC-MS/MS analysis was performed on adipocyte neutral and polar lipid fractions, both before and after acid hydrolysis of esterified FAs. NO 2 -FAs preferentially incorporated in monoacyl- and diacylglycerides, while reduced metabolites were highly enriched in triacylglycerides. This differential distribution profile was confirmed in vivo in the adipose tissue of NO 2 -OA-treated mice. This pattern of NO 2 -FA deposition lends new insight into the unique pharmacokinetics and pharmacologic actions that could be expected for this chemically-reactive class of endogenous signaling mediators and synthetic drug candidates. Copyright © 2017 by the American Society for Biochemistry and Molecular Biology, Inc.

Molecular mechanism of radiosensitization by nitro compounds

International Nuclear Information System (INIS)

Kagiya, T.; Wada, T.; Nishimoto, S.I.

1984-01-01

In this chapter a molecular mechanism of radiosensitization by electron-affinic nitro compounds is discussed, mainly on the basis of the results of the radiation-induced chemical studies of DNA-related compounds in aqueous solutions. In Section II the general aspects of the radiation chemistry of organic compounds in the absence and presence of oxygen in aqueous solution are shown in order to demonstrate characteristic differences between radiation chemical reactions in hypoxic and oxic cells. The effects of nitro compounds on the radiolysis yields of DNA-related compounds in aqueous solutions are described in Section III. In Section IV the retardation effects of misonidazole on the radiation chemical processes of DNA-related compounds are shown along with the reaction characteristics of misonidazole with hydroxyl radical ( . OH) and hydrated electron (e/sub aq/-bar) produced by the radiolysis of water. The promotion of radiation-induced oxidation of thymine into thymine glycol (TG) by nitro radiosensitizers in deoxygenated solution and the relations between the activity of nitro compound for the thymine glycol formation and the enhancement activity measured in vitro are described in Section V. Finally, the protection against radiation-induced damage of thymine by a sulfhydryl compound of glutathione and the ability of electron-affinic compounds to decompose the intracellular radioprotector are described in Section VI

Novel quinolines carrying pyridine, thienopyridine, isoquinoline, thiazolidine, thiazole and thiophene moieties as potential anticancer agents

Directory of Open Access Journals (Sweden)

Ghorab Mostafa M.

2016-06-01

Full Text Available As a part of ongoing studies in developing new anticancer agents, novel 1,2-dihydropyridine 4, thienopyridine 5, isoquinolines 6–20, acrylamide 21, thiazolidine 22, thiazoles 23–29 and thiophenes 33–35 bearing a biologically active quinoline nucleus were synthesized. The structure of newly synthesized compounds was confirmed on the basis of elemental analyses and spectral data. All the newly synthesized compounds were evaluated for their cytotoxic activity against the breast cancer cell line MCF7. 2,3-Dihydrothiazole-5-carboxamides 27, 25, 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (34, 1,2-dihydroisoquinoline-7-carbonitrile (7, 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (35, 1,2-dihydroisoquinoline-7-carbonitrile (6, 2-cyano-3-(dimethylamino-N-(quinolin-3-ylacrylamide (21, 1,2-dihydroisoquinoline-7-carbonitriles (11 and (8 exhibited higher activity (IC50 values of 27–45 μmol L–1 compared to doxorubicin (IC50 47.9 μmol L–1. LQ quinolin-3-yl-1,2-dihydroisoquinoline-7-carbonitrile (12, 2-thioxo-2,3-dihydrothiazole-5-carboxamide (28 and quinolin-3-yl-1,2-dihydroisoquinoline-7-carbonitrile (15 show activity comparable to doxorubicin, while (quinolin-3-yl-1,2-dihydroisoquinoline-7-carbonitrile (9, 2,3-dihydrothiazole-5-carboxamide (24, thieno [3,4-c] pyridine-4(5H-one (5, cyclopenta[b]thiophene-3-carboxamide (33 and (quinolin-3-yl-6-stryl-1,2-dihydroisoquinoline-7-carbonitrile (10 exhibited moderate activity, lower than doxorubicin.

Zeolites Promoting Quinoline Synthesis via Friedlander Reaction

Czech Academy of Sciences Publication Activity Database

López-Sanz, J.; Pérez-Mayoral, E.; Vitvarová, Dana; Martín-Aranda, R. M.; López-Peinado, A. J.

2010-01-01

Roč. 53, 19-20 (2010), s. 1430-1437 ISSN 1022-5528 R&D Projects: GA ČR GD203/08/H032 Institutional research plan: CEZ:AV0Z40400503 Keywords : heterogeneous catalysis * zeolites * quinolines Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.359, year: 2010

Harmonic force field for nitro compounds.

Science.gov (United States)

Bellido, Edson P; Seminario, Jorge M

2012-06-01

Molecular simulations leading to sensors for the detection of explosive compounds require force field parameters that can reproduce the mechanical and vibrational properties of energetic materials. We developed precise harmonic force fields for alanine polypeptides and glycine oligopeptides using the FUERZA procedure that uses the Hessian tensor (obtained from ab initio calculations) to calculate precise parameters. In this work, we used the same procedure to calculate generalized force field parameters of several nitro compounds. We found a linear relationship between force constant and bond distance. The average angle in the nitro compounds was 116°, excluding the 90° angle of the carbon atoms in the octanitrocubane. The calculated parameters permitted the accurate molecular modeling of nitro compounds containing many functional groups. Results were acceptable when compared with others obtained using methods that are specific for one type of molecule, and much better than others obtained using methods that are too general (these ignore the chemical effects of surrounding atoms on the bonding and therefore the bond strength, which affects the mechanical and vibrational properties of the whole molecule).

The systems cerium(3) (samarium) nitrate-quinoline nitrate-water

International Nuclear Information System (INIS)

Khisaeva, D.A.; Zhuravlev, E.F.; Semenova, Eh.B.

1982-01-01

Using the method of cross sections at 25 and 50 deg C the solubility in the systems cerium (3) nitrate-quinoline nitrate-water and samarium nitrate-quinoline nitrate-water has been studied. It is established that in the systems during chemical interaction of components congruently melting compounds of the composition: Ce(NO 3 ) 2 x2[C 9 H 7 NxHNO 3 ]x6H 2 O and Sm(NO 3 ) 3 x2[C 9 H 7 NxHNO 3 ]x2H 2 O are formed. New solid phases are separated preparatively and are subjected to chemical, differential thermal and IR spectroscopic analyses. The investigation results are compared with similar ones for nitrates of other representatives of lanthanide group

Synthesis, characterization and emission properties of quinolin-8 ...

Indian Academy of Sciences (India)

Unknown

chelated ruthenium organometallics. BIKASH KUMAR PANDA. Department of Inorganic ... Ruthenium organometallics; quinolin-8-olato chelation; emission properties; trivalent ruthenium. 1. Introduction. There is continuing ... chem.istry of orthometallated ruthenium compounds is of current interest in the context of synthesis ...

Rapid establishment of phenol- and quinoline-degrading consortia driven by the scoured cake layer in an anaerobic baffled ceramic membrane bioreactor.

Science.gov (United States)

Wang, Wei; Wang, Shun; Ren, Xuesong; Hu, Zhenhu; Yuan, Shoujun

2017-11-01

Although toxic and refractory organics, such as phenol and quinoline, are decomposed by anaerobic bacteria, the establishment of specific degrading consortia is a relatively slow process. An anaerobic membrane bioreactor allows for complete biomass retention that can aid the establishment of phenol- and quinoline-degrading consortia. In this study, the anaerobic digestion of phenol (500 mg L -1 ) and quinoline (50 mg L -1 ) was investigated using an anaerobic baffled ceramic membrane bioreactor (ABCMBR). The results showed that, within 30 days, 99% of phenol, 98% of quinoline and 88% of chemical oxygen demand (COD) were removed. The substrate utilisation rates of the cake layer for phenol and quinoline, and specific methanogenic activity of the cake layer, were 7.58 mg phenol g -1  mixed liquor volatile suspended solids (MLVSS) day -1 , 8.23 mg quinoline g -1  MLVSS day -1 and 0.55 g COD CH4  g -1  MLVSS day -1 , respectively. The contribution of the cake layer to the removals of phenol and quinoline was extremely underestimated because the uncounted scoured cake layer was disregarded. Syntrophus was the key population for phenol and quinoline degradation, and it was more abundant in the cake layer than in the bulk sludge. The highly active scattered cake layer sped up the establishment of phenol- and quinoline-degrading consortia in the ABCMBR.

Crystal structure of bis-(μ-3-nitro-benzoato)-κ3O,O':O;κ3O:O,O'-bis-[bis-(3-cyano-pyridine-κN1)(3-nitro-benzoato-κ2O,O')cadmium].

Science.gov (United States)

Hökelek, Tuncer; Akduran, Nurcan; Özen, Azer; Uğurlu, Güventürk; Necefoğlu, Hacali

2017-03-01

The asymmetric unit of the title compound, [Cd 2 (C 7 H 4 NO 4 ) 4 (C 6 H 4 N 2 ) 4 ], contains one Cd II atom, two 3-nitro-benzoate (NB) anions and two 3-cyano-pyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB anions act as bidentate ligands through the carboxyl-ate O atoms. The centrosymmetric dinuclear complex is generated by application of inversion symmetry, whereby the Cd II atoms are bridged by the carboxyl-ate O atoms of two symmetry-related NB anions, thus completing the distorted N 2 O 5 penta-gonal-bipyramidal coordination sphere of each Cd II atom. The benzene and pyridine rings are oriented at dihedral angles of 10.02 (7) and 5.76 (9)°, respectively. In the crystal, C-H⋯N hydrogen bonds link the mol-ecules, enclosing R 2 2 (26) ring motifs, in which they are further linked via C-H⋯O hydrogen bonds, resulting in a three-dimensional network. In addition, π-π stacking inter-actions between parallel benzene rings and between parallel pyridine rings of adjacent mol-ecules [shortest centroid-to-centroid distances = 3.885 (1) and 3.712 (1) Å, respectively], as well as a weak C-H⋯π inter-action, may further stabilize the crystal structure.

Redetermination of 2-methyl-4-nitro­pyridine N-oxide

Science.gov (United States)

Peukert, Max; Seichter, Wilhelm; Weber, Edwin

2014-01-01

An improved crystal structure of the title compound, C6H6N2O3, is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20–24] in the ortho­rhom­bic space group Pca21 and refined to R = 0.067, has been solved in the ortho­rhom­bic space group Pbcm with data of enhanced quality, giving an improved structure (R = 0.0485). The mol­ecule adopts a planar conformation with all atoms lying on a mirror plane. The crystal structure is composed of mol­ecular sheets extending parallel to the ab plane and connected via C—H⋯O contacts involving ring H atoms and O atoms of the N-oxide and nitro groups, while van der Waals forces consolidate the stacking of the layers. PMID:24826136

An Efficient Synthesis of Substituted Quinolines via Indium(III) Chloride Catalyzed Reaction of Imines with Alkynes

International Nuclear Information System (INIS)

Zhu, Mei; Fu, Weijun; Xun, Chen; Zou, Guanglong

2012-01-01

An efficient synthetic method for the preparation of quinolines through indium(III) chloride-catalyzed tandem addition-cyclization-oxidation reactions of imines with alkynes was developed. The processes can provide a diverse range of quinoline derivatives in good yields from simple imines and alkynes

Structure of Quinolinate Synthase from Pyrococcus horikoshii in the Presence of Its Product, Quinolinic Acid.

Science.gov (United States)

Esakova, Olga A; Silakov, Alexey; Grove, Tyler L; Saunders, Allison H; McLaughlin, Martin I; Yennawar, Neela H; Booker, Squire J

2016-06-15

Quinolinic acid (QA) is a common intermediate in the biosynthesis of nicotinamide adenine dinucleotide (NAD(+)) and its derivatives in all organisms that synthesize the molecule de novo. In most prokaryotes, it is formed from the condensation of dihydroxyacetone phosphate (DHAP) and aspartate-enamine by the action of quinolinate synthase (NadA). NadA contains a [4Fe-4S] cluster cofactor with a unique, non-cysteinyl-ligated, iron ion (Fea), which is proposed to bind the hydroxyl group of a postulated intermediate in the last step of the reaction to facilitate a dehydration. However, direct evidence for this role in catalysis has yet to be provided. Herein, we present the structure of NadA in the presence of the product of its reaction, QA. We find that N1 and the C7 carboxylate group of QA ligate to Fea in a bidentate fashion, which is confirmed by Hyperfine Sublevel Correlation (HYSCORE) spectroscopy. This binding mode would place the C5 hydroxyl group of the postulated final intermediate distal to Fea and virtually incapable of coordinating to it. The structure shows that three strictly conserved amino acids, Glu198, Tyr109, and Tyr23, are in close proximity to the bound product. Substitution of these amino acids with Gln, Phe, and Phe, respectively, leads to complete loss of activity.

A struggle for knowledge. An analysis of the process related to changes in water regulation for Suldalsl#Latin Small Letter A With Ring Above#gen

Energy Technology Data Exchange (ETDEWEB)

Egeland, Helene [Sintef Energy, Trondheim (Norway)

2012-07-01

This report is part of the project GOVREP (Governance for Renewable Electricity Production) whose purpose is to produce research that can create a better understanding of how to reconcile energy and environmental policy considerations in renewable electricity production. To illustrate the challenges of the national framework (Knudsen and Ruud 2011), it is important to look at how such considerations into practice are integrated through looking at specific hydropower issues. In this report, we look at the process related to the change of the rules of operation for Suldalsl#Latin Small Letter A With Ring Above#gen focusing on knowledge documents' role. The knowledge base is crucial to how energy and environmental considerations integrated into hydropower management. The analysis shows that there are significant governance challenges m#Latin Small Letter A With Ring Above#lavklaring and organization of knowledge production. Moreover, the lack of trust between the actors concerned determines whether the knowledge base is perceived as adequate and sturdy enough to serve as a legitimate basis for decision making.(author)

The features of nucleophilic substitution of the nitro group in 4-alkyl-6-nitro-1,2,4-triazolo[5,1-c][1,2,4]triazines

Directory of Open Access Journals (Sweden)

E. N. Ulomsky

2017-05-01

Full Text Available The nucleophilic substitution of the nitro group of 4-alkyl-6-nitro-4,7-dihydro-1,2,4-triazolo[5,1-c][1,2,4]triazine-7-ones on the example of interactionwith morpholine was studied. It is established that under the action of excess cycloalkylimine at room temperature the unusual easy disclosure of triazine cycle with the formation of sterically hindered hydrazones occurs which are the key intermediates for further transformations. The carrying of reaction at elevated temperatures leads to the formation of products of substitution of the nitro group with the amine and also with morpholyl hydrazones which are the products of hydrolysis of amides of hydrazones and subsequent decarboxylation. Thus, the nucleophilic substitution of the nitro group in the described triazolotriazines flows through the ANRORC mechanism.

SYNTHESIS AND IN-VITRO STUDIES OF SOME NEW QUINOLINE ...

African Journals Online (AJOL)

KEY WORDS: Synthesis, Quinoline, 1,3,4-thiadiazolo pyrimidin, Spectral data, ... aqueous sodium hydroxide (1.0 mL) solution in drop wise. ... small amount of anhydrous potassium carbonate and suitable aryl isothiocyantes in DMF (15.

Accelerated oxygen consumption by catecholamines in the presence of aromatic nitro and nitroso compounds. Implications and neurotoxicity of nitro compounds

International Nuclear Information System (INIS)

Sridhar, K.

1981-01-01

The interactions of catecholamines with nitro and nitroso compounds are studied in view of the possible involvement of catecholamine type neurotransmitters in neurotoxicity caused by hypoxic cell sensitizers. The data reported suggest that neurotoxicity of nitro compounds may be due to depletion of oxygen, catecholamines and ascorbate in nerve tissue with concomitant generation of toxic species such as hydroxyl, hydronitroxyl and superoxide free radicals as well as nitroso and quinonoid derivatives. 5 references, 1 figure

Enhanced solid state emission of quinoline derivatives for fluorescent sensors

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyong-Jun, E-mail: hkim@kongju.ac.kr

2016-08-15

Excited-state intramolecular proton transfer (ESIPT) molecules are of utmost interest in the fields of organic light emitting diode, photo-patterning, chemosensor, proton transfer laser, and photostabilizer. Fine control of the functional substituents as well as the molecular structure of core ESIPT unit is primarily demanded for specific applications. Here, the photophysics of quinoline derivatives of 2-quinolin-2-yl-phenol and 2-(8-chloroquinolin-2-yl)phenol is explored. Straightening the twist between the hydroxyphenyl and the quinoline moieties with the aid of the hydrogen bonding promoted the excited energy to flow through a radiative decay pathway via proton transfer to the nitrogen. Furthermore, close molecular packing of J-aggregates and thus resulted vibration restriction in a dense matter opens an ESIPT corridor and is characterized to show enhanced emission. The mechanism is applied to the selective Cu{sup 2+} or Fe{sup 2+} cation detection and further immunofluorescence labeling using avidin–biotin protein specific binding is demonstrated with the aid of nano self-assembly technique. - Highlights: • New orange fluorescent hydroxyphenylquinoline derivative was synthesized. • Molecular structure planarization induced enhanced fluorescence with large Stokes' shift. • Selective solution phase cation detection and solid state bio-sensing were demonstrated successfully.

Nitro derivatives and other constituents of Aristolochia melastoma

Energy Technology Data Exchange (ETDEWEB)

Nogueira, Claudio R.; Lopes, Lucia M.X., E-mail: lopesxl@iq.unesp.br [Instituto de Quimica, Universidade Estadual Paulista, Araraquara - SP (Brazil)

2012-07-01

A phytochemical study of Aristolochia melastoma Manso has led to the isolation and identification of 20 known compounds, including aristolochic acids, sodium aristolochates, lignan, flavonoids, and nitro phenylethyl derivatives. Their structures were established by spectroscopic analysis. The presence of thalictricoside and secoisolariciresinol dimethyl ether diacetate is reported for the first time in the Aristolochiaceae family. In addition, the presence of nitro compounds in this species is significant. (author)

Nitro derivatives and other constituents of Aristolochia melastoma

International Nuclear Information System (INIS)

Nogueira, Claudio R.; Lopes, Lucia M.X.

2012-01-01

A phytochemical study of Aristolochia melastoma Manso has led to the isolation and identification of 20 known compounds, including aristolochic acids, sodium aristolochates, lignan, flavonoids, and nitro phenylethyl derivatives. Their structures were established by spectroscopic analysis. The presence of thalictricoside and secoisolariciresinol dimethyl ether diacetate is reported for the first time in the Aristolochiaceae family. In addition, the presence of nitro compounds in this species is significant. (author)

Synthesis of 2-azetidinones substituted quinoline derivative

Directory of Open Access Journals (Sweden)

Mashelkar Uday C.

2013-01-01

Full Text Available Acetanilide is converted into 2-chloro-3-formyl quinoline by reacting with DMF-POCl3 at 80-90ºC and then condensed with aromatic primary amines to give Schiff bases (3a-3c. These Schiff bases are then reacted with acid chlorides in the presence of base in toluene to give 1, 3, 4-substituted 2-azetidinones.

Design and Synthesis of Some New Quinoline Based 1,2,3-Triazoles as Antimicrobial and Antimalarial Agents

Directory of Open Access Journals (Sweden)

Parthasaradhi Y.

2015-09-01

Full Text Available A series of novel 6-bromo-2-chloro-3-(4-phenyl-[1,2,3]triazol-1-ylmethyl-quinoline and its derivatives (5a-j were synthesized in good yields from the intermediates (6-bromo-2-chloro-quinolin-3-yl-methanol (2, methanesulfonic acid (6-bromo-2-chloroquinolin-3-ylmethyl methanesulfonate (3 and 3-azidomethyl-6-bromo-2-chloro-quinoline (4. The synthetic route leading to the title compounds is commenced from commercially available 6-bromo-2-chloro-quinolin-3-carbaldehyde (1. The chemical structures of the newly synthesized compounds were elucidated by their IR, 1H and 13C NMR, mass spectral data and elemental analysis. Further, all the target compounds were screened for their antimicrobial activity against various microorganisms and antimalarial activity towards P. falciparum. DOI: http://dx.doi.org/10.17807/orbital.v7i3.692 

Quinoline Fluorescent Probes for Zinc - from Diagnostic to Therapeutic Molecules in Treating Neurodegenerative Diseases.

Science.gov (United States)

Czaplinska, Barbara; Spaczynska, Ewelina; Musiol, Robert

2018-01-01

Fluorescent compounds had gained strong attention due to their wide and appealing applications. Microscopic techniques and visualization are good examples among others. Introduction of fluorescent dyes into microbiology opens the possibility to observe tissues, organisms or organelle with exceptional sensitivity and resolution. Probes for detection of biologically relevant metals as zinc, iron or copper seems to be particularly important for drug design and pharmaceutical sciences. Quinoline derivatives are well known for their good metal affinity and wide spectrum of biological activity. In this regard, molecular sensors built on this scaffold may be useful not only as analytical but also as therapeutic agents. In the present review, application of quinoline moiety in designing of novel fluorescent probes for zinc is presented and discussed. Zinc cations are relevant for vast majority of processes and recently attract a great deal of attention for their role in neurodegenerative diseases. Compounds interacting with Zn2+ may be used for early diagnosis of such disorders, for example the Alzheimer disease. Quinoline-based zinc probes may exert some beneficial role in organism acting as theranostic agents. First preliminary drugs for Alzheimer therapy that are based on quinoline moiety are good example of this trend. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Quinoline alkaloids and friedelane-type triterpenes isolated from leaves and wood of Esenbeckia alata Kunt (Rutaceae)

International Nuclear Information System (INIS)

Cuca-Suarez, Luis Enrique; Barrera, Ericsson David Coy; Alvarez Caballero, Juan Manuel

2011-01-01

This work describes the phytochemical exploration of the ethanol extract from leaves and wood of Esenbeckia alata, leading to the isolation and identification of quinoline alkaloids 4-methoxy-3-(3'-methyl-but-2'-enyl)-N-methyl-quinolin-2(1 H)-one, N-methylflindersine, dictamine, kokusaginine, G-fagarine, flindersiamine, as well as the fridelane-type triterpenes, frideline, fridelanol and its acetate derivative. Identification of these compounds was based on full analyses of spectroscopic data ( 1 H, 13 C, 1 D, 2 D, IR, MS) and comparison with data reported in literature. Compound 4-methoxy-3-(3'-methyl-but-2'-enyl)-N-methyl-quinolin-2(1 H)-one is reported for the first time for the genus Esenbeckia. (author)

DETEKSI GEN-GEN PENYANDI FAKTOR VIRULENSI PADA BAKTERI VIBRIO

Directory of Open Access Journals (Sweden)

Ince Ayu Khairani Kadriah

2011-04-01

menggunakan isolat bakteri yang diisolasi dari budidaya udang windu di berbagai daerah di Sulawesi Selatan dan Jawa. Pada penelitian ini digunakan primer spesifik untuk mendeteksi gen-gen virulen toxR gene, hemolysin (vvh gene, dan GyrB gene dengan metode PCR. Dari 35 isolat yang diisolasi, 20 isolat terdeteksi memiliki gen virulensi dan 8 di antaranya memiliki dua gen virulen. Spesies bakteri yang memiliki gen virulen adalah: V.harveyi, V. parahaemolyticus, V. mimicus, dan V. campbelli

Chlorine- and Sulphur-substituted Pyrrolo[3,4-b]quinolines and ...

African Journals Online (AJOL)

Chlorine- and Sulphur-substituted Pyrrolo[3,4-b]quinolines and Related Derivatives .... J. Chem., 2003, 56, 40–46,. . .... It is evident from the above that by judicious selection and application of reagents ...

Studies on adsorption and corrosion inhibitive properties of quinoline derivatives on N80 steel in 15% hydrochloric acid

Directory of Open Access Journals (Sweden)

K.R. Ansari

2016-12-01

Full Text Available This paper deals with the N80 steel corrosion protection study in 15% HCl which was carried by three quinoline derivatives namely 3-acetyl-1-(4-methylbenzylideneamino quinolin-2-one (AQ-1, 3-acetyl-1-(4 hydroxy benzylideneamino quinolin-2-one (AQ-2, 3-acetyl-1-(3-nitrobenzylideneamino quinolin-2(1H-one (AQ-3 using gravimetric, electrochemical, and quantum chemical studies. Tafel polarization showed that AQs are mixed type inhibitors but dominantly affect cathodic reaction more. The observed results reveal that AQ-1 is the best inhibitor. All the three inhibitors were found to obey the Langmuir adsorption isotherm. Scanning electron microscopy (SEM micrographs supports the protection of the N80 steel by AQs. Quantum chemical study reveals that the inhibitors have a tendency to get protonated and this protonated form has greater tendency to get adsorbed onto the N80 steel surface.

Phase transition and intramolecular hydrogen bonding in nitro derivatives of ortho-hydroxy acetophenones

Science.gov (United States)

Filarowski, A.; Kochel, A.; Koll, A.; Bator, G.; Mukherjee, S.

2006-03-01

The crystal structures of two ortho-hydroxy aryl ketones (5-chloro-3-nitro-2-hydroxyacetophenone, 5-methyl-3-nitro-2-hydroxyacetophenone and the complex 5-chloro-3-nitro-2-hydroxyacetophenone with 2-aminobenzoic acid (anthranilic acid)) were determined by X-ray diffraction. The existence of an intramolecular hydrogen bond of enol character between the hydroxyl and acetyl groups was found by the X-ray method. The enol character was also confirmed by DFT (B3LYP/6-31+G(d,p)) calculations. A phase transition was found at 138 K in 5-chloro-3-nitro-2-hydroxyacetophenone. This phase transition was investigated by differential scanning calorimetry (DSC), dilatometry, and the dielectric method. A study of the nitro-group dynamics in the ortho-hydroxy acetophenones was carried out with DFT (B3LYP/6-31+G(d,p)) calculations.

Quinoline alkaloids and friedelane-type triterpenes isolated from leaves and wood of Esenbeckia alata Kunt (Rutaceae)

Energy Technology Data Exchange (ETDEWEB)

Cuca-Suarez, Luis Enrique; Barrera, Ericsson David Coy [Universidad Nacional de Colombia, Bogota (Colombia). Dept. de Quimica; Alvarez Caballero, Juan Manuel [Universidad del Magdalena, Santa Marta DTCH (Colombia). Facultad de Ciencias Basicas

2011-07-01

This work describes the phytochemical exploration of the ethanol extract from leaves and wood of Esenbeckia alata, leading to the isolation and identification of quinoline alkaloids 4-methoxy-3-(3'-methyl-but-2'-enyl)-N-methyl-quinolin-2(1 H)-one, N-methylflindersine, dictamine, kokusaginine, G-fagarine, flindersiamine, as well as the fridelane-type triterpenes, frideline, fridelanol and its acetate derivative. Identification of these compounds was based on full analyses of spectroscopic data ({sup 1}H, {sup 13}C, {sup 1}D, {sup 2}D, IR, MS) and comparison with data reported in literature. Compound 4-methoxy-3-(3'-methyl-but-2'-enyl)-N-methyl-quinolin-2(1 H)-one is reported for the first time for the genus Esenbeckia. (author)

Syntheses and anti-microbial evaluation of new quinoline scaffold derived pyrimidine derivatives

Directory of Open Access Journals (Sweden)

Shikha S. Dave

2016-09-01

Full Text Available A series of diversely substituted chalcones derived from a quinoline scaffold, e.g. (E-3-(2-chloroquinolin-3-yl-1-(2-hydroxyphenyl prop-2-en-1-one and its pyrimidine analogues e.g. 2-[2-amino-6-(2-chloroquinolin-3-yl-5,6-dihydropyrimidin-4-yl]phenols have been prepared by condensation of 2-chloro-3-formyl quinoline with differently substituted 2-hydroxy acetophenones and further treatment with guanidine carbonate. All the newly synthesized compounds have been evaluated for their in vitro growth inhibitory activity against Escherichia coli, Pseudomonas vulgaris, Bacillus subtilis, Staphylococcus aureus, Staphylococcus typhi, Candida albicans, Aspergillus niger and Pseudomonas chrysogenum.

Nitro-spojevi kao otapala, lijekovi, međuprodukti i eksplozivi

Directory of Open Access Journals (Sweden)

Mutak, S.

2007-03-01

Full Text Available This report is focused partly on the chemical development of some chemical functional groups, and partly on our own results connected with research by Vladimir Prelog in the last period of his work. The period Vladimir Prelog spent in Zagreb marked the beginning of the development of organic synthetic chemistry at the University of Zagreb and at the pharmaceutical company Kaštel, later PLIVA. One approach he took was the synthesis of new potentially active compounds, but more important was the development of a rational and economical procedure for the synthesis of known active compounds. A start was made with the synthesis of azo dyes and quinine analogs. In the last period of his work on chemistry, Prof. Prelog and visiting collaborators, mostly from PLIVA, studied the enantioselectivity of chiral ionophores, such as lyphophyl tartaric acid esters and spirobifluorene crown ethers towards some biologically active amino alcohols by intramolecular binding.The first and most successful result of the collaboration between Kaštel and Vladimir Prelog, was the early entry into the market with sulfanylamide. The key intermediate for the synthesis of sulfanylamide and other subsequently discovered sulfonamides was nitrobenzene. Organic nitro compounds now have a broad application in fine chemical production, as solvents, intermediates and final products.Simple aliphatic and aromatic nitro compounds are used as solvents and reagents; others have been used as intermediates in the synthesis of amino, hydroxy, halogen, sulpho, keto or other functional groups. Some nitro compounds are important active pharmaceuticals, including the Ca-antagonist nifedipine, the anthelmithic metronidazol or the coronary dilatator dinitroisosorbide, while others are explosives like hexogen, octogen or trinitrotoluene. It is known that some nitro compounds are both useful drugs and explosives including the nitro esters nitroglycerine or pentrite.In PLIVA, the nitration process

Rubitecan: 9-NC, 9-Nitro-20(S)-camptothecin, 9-nitro-camptothecin, 9-nitrocamptothecin, RFS 2000, RFS2000.

Science.gov (United States)

2004-01-01

Rubitecan [Orathecin, 9-nitrocamptothecin, 9NC, RFS 2000] is a topoisomerase I inhibitor extracted from the bark and leaves of the Camptotheca acuminata tree, which is native to China. Rubitecan is an oral compound being developed for the treatment of pancreatic cancer and other solid tumours by SuperGen. One of the major benefits of rubitecan is that it can be administered in an outpatient setting, so patients can be treated in their homes. Rubitecan was isolated by the Stehlin Foundation in the US. SuperGen is currently awaiting regulatory approval in the US and the EU for rubitecan in the treatment of pancreatic cancer. At the BIO-2004 conference, SuperGen announced it is seeking a partner for rubitecan for territories outside the US. SuperGen acquired exclusive worldwide rights to rubitecan from the Stehlin Foundation in 1997 except in Mexico, Canada, Spain, Japan, the UK, France, Italy and Germany. SuperGen has also received approval from the US FDA to use its own manufactured rubitecan in clinical trials. SuperGen and the Stehlin Foundation have an 8-year research agreement that secures global rights to other camptothecins and additional anticancer compounds for the former. In December 1999, SuperGen and Abbott signed a worldwide sales and marketing agreement for rubitecan. Under the terms of the agreement, Abbott had exclusive distribution and promotion rights for rubitecan outside the US, and co-promotion rights with SuperGen within the US. In return, Abbott made an initial equity investment in SuperGen. SuperGen and Abbott Laboratories ended their collaboration agreement in February 2002 by mutual consent with SuperGen stating that the dissolution of the agreement was based on commercial motivation rather than anything to do with rubitecan's safety or efficacy. Abbott no longer has rights or obligations to purchase shares of SuperGen stock or an option to purchase up to 49% of the company. For its part, SuperGen will no longer receive milestone payments

Taxonomic dissection of the genus Micrococcus: Kocuria gen. nov., Nesterenkonia gen. nov., Kytococcus gen. nov., Dermacoccus gen. nov., and Micrococcus Cohn 1872 gen. emend.

Science.gov (United States)

Stackebrandt, E; Koch, C; Gvozdiak, O; Schumann, P

1995-10-01

The results of a phylogenetic and chemotaxonomic analysis of the genus Micrococcus indicated that it is significantly heterogeneous. Except for Micrococcus lylae, no species groups phylogenetically with the type species of the genus, Micrococcus luteus. The other members of the genus form three separate phylogenetic lines which on the basis of chemotaxonomic properties can be assigned to four genera. These genera are the genus Kocuria gen. nov. for Micrococcus roseus, Micrococcus varians, and Micrococcus kristinae, described as Kocuria rosea comb. nov., Kocuria varians comb. nov., and Kocuria kristinae comb. nov., respectively; the genus Nesterenkonia gen. nov. for Micrococcus halobius, described as Nesterenkonia halobia comb. nov.; the genus Nesterenkonia gen. nov. for Micrococcus halobius, described as Nesterenkonia halobia comb. nov.; the genus Dermacoccus gen. nov. for Micrococcus nishinomiyaensis, described as Dermacoccus nishinomiyaensis comb. nov.; and the genus Kytocossus gen. nov. for Micrococcus sedentarius, described as Kytococcus sedentarius comb. nov. M. luteus and M. lylae, which are closely related phylogenetically but differ in some chemotaxonomic properties, are the only species that remain in the genus Micrococcus Cohn 1872. An emended description of the genus Micrococcus is given [corrected].

Crystal structure of bis(azido-κNbis(quinolin-8-amine-κ2N,N′iron(II

Directory of Open Access Journals (Sweden)

Fatima Setifi

2016-10-01

Full Text Available The search for new molecular materials with interesting magnetic properties using the pseudohalide azide ion and quinolin-8-amine (aqin, C9H8N2 as a chelating ligand, led to the synthesis and structure determination of the title complex, [Fe(N32(C9H8N22]. The complex shows an octahedral geometry, with the FeII atom surrounded by six N atoms; the two N3− anions coordinate in a cis configuration, while the remaining N atoms originate from the two quinolin-8-amine ligands with the quinoline N atoms lying on opposite sides of the Fe atom. The crystal packing is dominated by layers of hydrophilic and aromatic regions parallel to the ac plane, stabilized by a two-dimensional hydrogen-bonded network and π–π stacking.

Functional and neurochemical profile of place learning after L-nitro-arginine in the rat

DEFF Research Database (Denmark)

Mogensen, Jesper; Wörtwein, Gitta; Hasman, Andreas

1995-01-01

Neurobiology, nitrogenoxid (NO), place learning, rotte, L-Nitro-Arginin, funktionel genopretning......Neurobiology, nitrogenoxid (NO), place learning, rotte, L-Nitro-Arginin, funktionel genopretning...

Positronium reactions in the Triton X-100-p-nitro phenol system

International Nuclear Information System (INIS)

Kumar Das, S.; Nandi Ganguly, B.

1997-01-01

The positronium reactions have been used as a probe to study the solubilization of p-nitro phenol within the micellar phase of a Triton X-100 solution and the corresponding changes in the molecular association phenomenon. The presence of p-nitro phenol resulted in an enhancement of micellization which has been corroborated by surface tension measurements. This paper also lays emphasis on the secondary aggregation phenomenon of Triton X-100 molecules at the far post-micellar stage (∼ 10-15 mM). The solubilization of p-nitro phenol at various stages of aggregation has been discussed through the interaction with positronium atoms by setting up a kinetic model and reaction equilibria. (author)

Approaches for introducing high molecular diversity in scaffolds: fast parallel synthesis of highly substituted 1H-quinolin-4-one libraries.

Science.gov (United States)

Kuznetsov, Vladimir; Gorohovsky, Sofia; Levy, Amalia; Meir, Simcha; Shkoulev, Vladimir; Menashe, Naim; Greenwald, Moshe; Aizikovich, Alexander; Ofer, Dror; Byk, Gerardo; Gellerman, Garry

2004-01-01

We have developed a two steps strategy for the parallel synthesis of highly diversified quinolin-ones. In the first step we have combined and improved different synthetic methods for generating quinolin-4-ones bearing four different substitutions at specific positions using round bottomed flasks. The synthesis was assessed for a large number of substituted quinolin-4-ones. In the second step, the improved method was adapted to a parallel array synthesis using a 12 positions carrousel as demonstrated for the synthesis of 42-variable quinolin-4-ones. The first combinatorial library set 14(a-x) was obtained with a chemical purity of more than 95% without purification, the second library set 15(a-r), which included two synthetic steps, needed combinatorial purification using an innovative parallel purifier. The proposed approach contributes to a more extensive diversification of molecular scaffolds in general and provides access to highly substituted quinolinones in particular.

Synthesis of 2-Substituted Furo[2,3-b]- and Furo[3,2-c]quinolines via Heterogeneous Palladium-catalyzed Heteroannulation

International Nuclear Information System (INIS)

Park, Hee Jung; Yang, Ok-Kyung; Park, Young Chul; Yum, Eul Kgun

2016-01-01

As a part of our continuing organometallic studies on diversification of nitrogen-containing biologically active heterocycles, we attempted to synthesize furo[2,3-b]- and furo[3,2-c]quinolines starting from o-halohydroxyquinolines and terminal alkynes with heterogeneous Pd(OAc)2 catalyst, which was supported by nanosized pore carbon ball. 2-substituted furo[2,3-b]quinolines and furo[3,2-c]quinolines were synthesized from the reaction of 3-iodoquinolin-2-ol and 3-iodoquinolin-4-ol, respectively, with diverse alkynes. The heteroannulation reaction proceeds with Sonogashira coupling followed by 5-endo-dig cyclization in good isolated yields under copper and ligand free conditions

Synthesis of 2-Substituted Furo[2,3-b]- and Furo[3,2-c]quinolines via Heterogeneous Palladium-catalyzed Heteroannulation

Energy Technology Data Exchange (ETDEWEB)

Park, Hee Jung [Korea Basic Science Institute, Seoul (Korea, Republic of); Yang, Ok-Kyung; Park, Young Chul; Yum, Eul Kgun [Chungnam National University, Daejon (Korea, Republic of)

2016-06-15

As a part of our continuing organometallic studies on diversification of nitrogen-containing biologically active heterocycles, we attempted to synthesize furo[2,3-b]- and furo[3,2-c]quinolines starting from o-halohydroxyquinolines and terminal alkynes with heterogeneous Pd(OAc)2 catalyst, which was supported by nanosized pore carbon ball. 2-substituted furo[2,3-b]quinolines and furo[3,2-c]quinolines were synthesized from the reaction of 3-iodoquinolin-2-ol and 3-iodoquinolin-4-ol, respectively, with diverse alkynes. The heteroannulation reaction proceeds with Sonogashira coupling followed by 5-endo-dig cyclization in good isolated yields under copper and ligand free conditions.

An efficient synthesis of quinolines under solvent-free conditions

Indian Academy of Sciences (India)

Unknown

An efficient synthesis of quinolines under solvent-free conditions. 201 was then irradiated with microwaves in a microwave oven (Samsung model# CE118KF) at 1050W (70% of total power) for 5 minutes (3 + 2 with an inter- mission of 5 minutes). The reaction mixture was cooled at room temperature and rendered basic (pH.

Synthesis of Novel Benzimidazolyl-substituted Acrylonitriles and Amidino-substituted Benzimidazo[1,2-a]Quinolines

Directory of Open Access Journals (Sweden)

Grace Karminski-Zamola

2006-08-01

Full Text Available A series of novel benzimidazole derivatives 3-10 were synthesized. Benzimidazolyl-substituted acrylonitriles 3 and 4 underwent a photochemical dehydrocyclization reaction to give the corresponding mono- and dicyano-substituted benzimidazo[1,2-a] quinolines 5 and 6. Pinner reaction of these compounds did not give the expected mono- and diamidines, but rather only compounds 7-10, with amido groups at 6-position were isolated. A mechanism for the reaction is proposed. Acyclic compounds 3 and 4, as well as cyclic benzimidazo[1,2-a]quinolines 5-8, exhibit interesting spectroscopic properties and are potential biologically active compounds.

Antiproliferative and Pro-Apoptotic Effect of Novel Nitro-Substituted Hydroxynaphthanilides on Human Cancer Cell Lines

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Tereza Kauerova

2016-07-01

Full Text Available Ring-substituted hydroxynaphthanilides are considered as cyclic analogues of salicylanilides, compounds possessing a wide range of pharmacological activities, including promising anticancer properties. The aim of this study was to evaluate the potential anticancer effect of novel nitro-substituted hydroxynaphthanilides with a special focus on structure-activity relationships. The antiproliferative effect was assessed by Water Soluble Tetrazolium Salts-1 (WST-1 assay, and cytotoxicity was evaluated via dye exclusion test. Flow cytometry was used for cell cycle analysis and detection of apoptosis using Annexin V-FITC/PI assay. Protein expression was estimated by Western blotting. Our data indicate that the potential to cause the antiproliferative effect increases with the shift of the nitro substituent from the ortho- to the para-position. The most potent compounds, 3-hydroxy-N-(3-nitrophenylnaphthalene-2-carboxamide (2, and 2-hydroxy-N-(4-nitrophenyl-naphthalene-1-carboxamide (6 showed antiproliferative activity against THP-1 and MCF-7 cancer cells without affecting the proliferation of 3T3-L1 non-tumour cells. Compounds 2 and 6 induced the accumulation of THP-1 and MCF-7 cells in G1 phase associated with the downregulation of cyclin E1 protein levels, while the levels of cyclin B1 were not affected. Moreover, compound 2 was found to exert the pro-apoptotic effect on the THP-1 cells. These results suggest that hydroxynaphthanilides might represent a potential model structure for the development of novel anticancer agents.

Dendrimer encapsulated Silver nanoparticles as novel catalysts for reduction of aromatic nitro compounds

Science.gov (United States)

Asharani, I. V.; Thirumalai, D.; Sivakumar, A.

2017-11-01

Polyethylene glycol (PEG) core dendrimer encapsulated silver nanoparticles (AgNPs) were synthesized through normal chemical reduction method, where dendrimer acts as reducing and stabilizing agent. The encapsulated AgNPs were well characterized using TEM, DLS and XPS techniques. The synthesized AgNPs showed excellent catalytic activity towards the reduction of aromatic nitro compounds with sodium borohydride as reducing agent and the results substantiate that dendrimer encapsulated AgNPs can be an effective catalyst for the substituted nitro aromatic reduction reactions. Also the kinetics of different nitro compounds reductions was studied and presented.

Thermodynamic properties of 1-ethyl-4-nitro-1,2,3-triazole

Energy Technology Data Exchange (ETDEWEB)

Blokhin, Andrey V., E-mail: blokhin@bsu.by; Kohut, Sviataslau V.; Kabo, Gennady J.; Stepurko, Elena N.; Paulechka, Yauheni U.; Voitkevich, Olga V.

2013-08-10

Graphical abstract: - Highlights: • Heat capacities and phase transition enthalpies for 1-ethyl-4-nitro-1,2,3-triazole were measured. • Enthalpy of formation for 1-ethyl-4-nitro-1,2,3-triazole was determined. • Vapor pressure and enthalpy of sublimation of 1-ethyl-4-nitro-1,2,3-triazole were found from Knudsen measurements. - Abstract: Temperature dependence of the heat capacity and the parameters of phase transitions of 1-ethyl-4-nitro-1,2,3-triazole (1ET) were studied between 5 and 370 K in a vacuum adiabatic calorimeter. Thermodynamic properties of the 1ET in the condensed state were obtained over the range of 0–370 K. Saturated vapor pressure for crystalline 1ET in the temperature ranges from 313 to 344 K and its enthalpy of sublimation were measured by the Knudsen effusion method. The standard enthalpy of formation for crystalline 1ET at 298.15 K was determined in a static bomb combustion calorimeter. From these data, the standard enthalpy of formation for gaseous 1ET was evaluated. The enthalpy of formation calculated using quantum chemical methods is in excellent agreement with the experimental value.

Thermodynamic properties of 1-ethyl-4-nitro-1,2,3-triazole

International Nuclear Information System (INIS)

Blokhin, Andrey V.; Kohut, Sviataslau V.; Kabo, Gennady J.; Stepurko, Elena N.; Paulechka, Yauheni U.; Voitkevich, Olga V.

2013-01-01

Graphical abstract: - Highlights: • Heat capacities and phase transition enthalpies for 1-ethyl-4-nitro-1,2,3-triazole were measured. • Enthalpy of formation for 1-ethyl-4-nitro-1,2,3-triazole was determined. • Vapor pressure and enthalpy of sublimation of 1-ethyl-4-nitro-1,2,3-triazole were found from Knudsen measurements. - Abstract: Temperature dependence of the heat capacity and the parameters of phase transitions of 1-ethyl-4-nitro-1,2,3-triazole (1ET) were studied between 5 and 370 K in a vacuum adiabatic calorimeter. Thermodynamic properties of the 1ET in the condensed state were obtained over the range of 0–370 K. Saturated vapor pressure for crystalline 1ET in the temperature ranges from 313 to 344 K and its enthalpy of sublimation were measured by the Knudsen effusion method. The standard enthalpy of formation for crystalline 1ET at 298.15 K was determined in a static bomb combustion calorimeter. From these data, the standard enthalpy of formation for gaseous 1ET was evaluated. The enthalpy of formation calculated using quantum chemical methods is in excellent agreement with the experimental value

Iodine-Mediated Intramolecular Dehydrogenative Coupling: Synthesis of N-Alkylindolo[3,2-c]- and -[2,3-c]quinoline Iodides.

Science.gov (United States)

Volvoikar, Prajesh S; Tilve, Santosh G

2016-03-04

An I2/TBHP-mediated intramolecular dehydrogenative coupling reaction is developed for the synthesis of a library of medicinally important 5,11-dialkylindolo[3,2-c]quinoline salts and 5,7-dimethylindolo[2,3-c]quinoline salts. The annulation reaction is followed by aromatization to yield tetracycles in good yield. This protocol is also demonstrated for the synthesis of the naturally occurring isocryptolepine in salt form.

Non-nitro radiation sensitizers

International Nuclear Information System (INIS)

Jacobs, G.P.

1986-01-01

This short communication aims to update the review of non-nitro radiation sensitizers (Shenoy and Singh 1985) and correct omissions. Work is mentioned and bibliography given for studied of cis-platinum, potassium permanganate, cobalt hexammine, sodium bromide, dimethylsulphoxide, zinc and copper ions, organic nitroxyl free radicals (TAN,TMPN and NPPN + PNAP), halogenated pyrimidines, organic and inorganic iodine containing compounds, diacetyl, acetone and acetophenone, rho-hydrobenzoic acid and its esters, pentobarbitone and secobarbitone, heparin and 9-anilinoacridines, dehydropiandosterone and paraquat. (U.K.)

GAS PHASE SYNTHESIS OF (ISO)QUINOLINE AND ITS ROLE IN THE FORMATION OF NUCLEOBASES IN THE INTERSTELLAR MEDIUM

International Nuclear Information System (INIS)

Parker, Dorian S. N.; Kaiser, Ralf I.; Kostko, Oleg; Troy, Tyler P.; Ahmed, Musahid; Mebel, Alexander M.; Tielens, Alexander G. G. M.

2015-01-01

Nitrogen-substituted polycyclic aromatic hydrocarbons (NPAHs) have been proposed to play a key role in the astrochemical evolution of the interstellar medium, yet the formation mechanisms of even their simplest prototypes—quinoline and isoquinoline—remain elusive. Here, we reveal a novel concept that under high temperature conditions representing circumstellar envelopes of carbon stars, (iso)quinoline can be synthesized via the reaction of pyridyl radicals with two acetylene molecules. The facile gas phase formation of (iso)quinoline in circumstellar envelopes defines a hitherto elusive reaction class synthesizing aromatic structures with embedded nitrogen atoms that are essential building blocks in contemporary biological-structural motifs. Once ejected from circumstellar shells and incorporated into icy interstellar grains in cold molecular clouds, these NPAHs can be functionalized by photo processing forming nucleobase-type structures as sampled in the Murchison meteorite

Quinoline-2-sulfonamide

Directory of Open Access Journals (Sweden)

Joachim Kusz

2013-08-01

Full Text Available In the title compound, C9H8N2O2S, the sulfamoyl –NH2 group is involved in intermolecular hydrogen bonding with the sulfonamide O and quinoline N atoms. In the crystal, molecules are linked into dimers via pairs of N—H...N hydrogen bonds, forming an R22(10 motif. The dimers are further assembled into chains parallel to the b axis through N—H...O hydrogen bonds, generating a C(4 motif. The crystal packing is additionally stabilized by intermolecular C—H...O interactions. The crystal studied was a non-merohedral twin with a domain ratio of 0.938 (2:0.062 (2. Density functional theory (DFT calculations, at the B3LYP/6–31 G(d,p level of theory, were used to optimize the molecular structure and to determine interaction energies for the title compound. The resulting interaction energy is ∼4.4 kcal mol−1 per bridge for the C(4 chain and ∼5.9 kcal mol−1 per bridge for the R22(10 motif.

GenBank

OpenAIRE

Benson, Dennis A.; Karsch-Mizrachi, Ilene; Lipman, David J.; Ostell, James; Rapp, Barbara A.; Wheeler, David L.

2002-01-01

The GenBank sequence database incorporates publicly available DNA sequences of more than 105 000 different organisms, primarily through direct submission of sequence data from individual laboratories and large-scale sequencing projects. Most submissions are made using the BankIt (web) or Sequin programs and accession numbers are assigned by GenBank staff upon receipt. Data exchange with the EMBL Data Library and the DNA Data Bank of Japan helps ensure comprehensive worldwide coverage. GenBank...

T3P- A Novel Catalyst for Aza-Diels-Alder Reaction: One-Pot Synthesis of Pyrano[3,2-c]quinolines and furano[3,2-c]quinolines

Directory of Open Access Journals (Sweden)

T. S. R. Prasanna

2011-01-01

Full Text Available T3P was found to be an efficient catalyst for the Aza-Diels–Alder reactions of aldimines with dihydropyran or dihydrofuran to afford the corresponding pyrano-and furo [3,2-c]quinolines in high yields with high diastereoselectivity in a short period of time.

Thermo-optical properties of 1H[3,4-b] quinoline films used in electroluminescent devices

Science.gov (United States)

Jaglarz, Janusz; Kępińska, Mirosława; Sanetra, Jerzy

2014-06-01

Electroluminescence cells with H[3,4-b] quinoline layers are promising devices for a blue light emitting EL diode. This work measured the optical reflectance as a function of temperature in copolymers PAQ layers deposited on Si crystalline substrate. Using the extended Cauchy dispersion model of the film refractive index we determined the thermo-optical coefficients for quinoline layers in the temperature range of 76-333 K from combined ellipsometric and spectrofotometric studies. The obtained values of thermo-optical coefficients of thin PAQ film, were negative and ranged in 5-10 × 10-4 [1/K].

Synthesis of Naphthyl-, Quinolin- and Anthracenyl Analogues of Clofibric Acid as PPARα Agonists.

Science.gov (United States)

Giampietro, Letizia; Ammazzalorso, Alessandra; Bruno, Isabella; Carradori, Simone; De Filippis, Barbara; Fantacuzzi, Marialuigia; Giancristofaro, Antonella; Maccallini, Cristina; Amoroso, Rosa

2016-03-01

PPARα is a ligand activated transcription factor belonging to the nuclear receptor subfamily, involved in fatty acid metabolism in tissues with high oxidative rates such as muscle, heart and liver. PPARα activation is important in steatosis, inflammation and fibrosis in preclinical models of non-alcoholic fatty liver disease identifying a new potential therapeutic area. In this work, three series of clofibric acid analogues conjugated with naphthyl, quinolin, chloroquinolin and anthracenyl scaffolds were synthesized. In an effort to obtain new compounds active as PPARα agonists, these molecules were evaluated for PPARα transactivation activity. Naphthyl and quinolin derivatives showed a good activation of PPARα; noteworthy, optically active naphthyl derivatives activated PPARα better than corresponding parent compound. © 2015 John Wiley & Sons A/S.

GenBank

Data.gov (United States)

U.S. Department of Health & Human Services — GenBank is the NIH genetic sequence database, an annotated collection of all publicly available DNA sequences. GenBank is designed to provide and encourage access...

Atmospheric chemistry of polycyclic aromatic compounds with special emphasis on nitro derivatives

Energy Technology Data Exchange (ETDEWEB)

Feilberg, A.

2000-04-01

Field measurements of polycyclic aromatic compounds (PAC) have been carried out at a semi-rural site and at an urban site. Correlation analyses, PAC indicators, and PAC ratios have been used to evaluate the importance of various sources of nitro-PAHs. A major source of nitro-PAHs is atmospheric transformation of PAHs initiated by OH radicals. Especially during long-range transport (LRT) of air pollution from Central Europe, the nitro-PAH composition in Denmark is dominated by nitro-PAHs formed in the atmosphere. Locally emitted nitro-PAHs are primarily from diesel vehicles. Levels of unsubstituted PAHs can also be strongly elevated in connection with LRT episodes. The ratio of 2-nitrofluoranthene relative to 1-nitropyrene is proposed as a measure of the relative photochemical age of particulate matter. Using this ratio, the relative mutagenicity of particle extracts appears to increase with increasing photochemical age. In connection with the field measurements, a method for measuring nitro-PAHs in particle extracts based on MS-MS detection has been developed. The atmospheric chemistry of nitronaphthalenes has been investigated with a smog chamber system combined with simulation with photochemical kinetics software. A methodology to implement gas-particle partitioning in a model based on chemical kinetics is described. Equilibrium constants (KP) for gas-particle partitioning of 1- and 2-nitronaphthalene have been determined. Mass transfer between the two phases appears to occur on a very short timescale. The gas phase photolysis of the nitronaphthalenes depends upon the molecular conformation. Significantly faster photolysis of 1-nitronaphthalene than of 2-nitronaphthalene is observed. The photochemistry of nitro-PAHs, and to some extent other PAC, associated with organic aerosols, has been studied with model systems simulating organic aerosol material. A number of aerosol constituents, including substituted phenols, benzaldehydes, and oxy-PAHs, are demonstrated to

Antiviral Activity of Novel Quinoline Derivatives against Dengue Virus Serotype 2

Directory of Open Access Journals (Sweden)

Carolina de la Guardia

2018-03-01

Full Text Available Dengue virus causes dengue fever, a debilitating disease with an increasing incidence in many tropical and subtropical territories. So far, there are no effective antivirals licensed to treat this virus. Here we describe the synthesis and antiviral activity evaluation of two compounds based on the quinoline scaffold, which has shown potential for the development of molecules with various biological activities. Two of the tested compounds showed dose-dependent inhibition of dengue virus serotype 2 in the low and sub micromolar range. The compounds 1 and 2 were also able to impair the accumulation of the viral envelope glycoprotein in infected cells, while showing no sign of direct virucidal activity and acting possibly through a mechanism involving the early stages of the infection. The results are congruent with previously reported data showing the potential of quinoline derivatives as a promising scaffold for the development of new antivirals against this important virus.

Transformation of indole and quinoline by Desulfobacterium indolicum (DSM 3383)

DEFF Research Database (Denmark)

Licht, D.; Johansen, S.S.; Arvin, E.

1996-01-01

kinetics. The kinetic parameters for indole were an apparent maximum specific transformation rate (V-Amax) of 263 mu mol mg total protein(-1) day(-1) and an apparent half-saturation constant (K-Am) of 139 mu M. The V-Amax for quinoline was 170 mu mol mg total protein(-1) day(-1) and K-Am was 92 mu M...

Synthesis and Insecticidal Activities of Novel Analogues of Chlorantraniliprole Containing Nitro Group

Institute of Scientific and Technical Information of China (English)

FENG Qi; WANG Ming-zhong; XIONG Li-xia; LIU Zhi-li; LI Zheng-ming

2011-01-01

Twelve novel analogues of chlorantraniliprole containing nitro group were synthesized,and their structures were characterized by 1H NMR and high-resolution mass spectrometry(HRMS).Their evaluated insecticidal activities against oriental armyworm(Mythimna separata) indicate that the nitro-containing analogues showed favorable insecticidal activities,while the activity of compounds 5g at 0.25 mg/L was 40%,but still lower than chlorantraniliprole.

Electrochemical modification of chromium surfaces using 4-nitro- and4-fluorobenzenediazonium salts

DEFF Research Database (Denmark)

Hinge, Mogens; Cecatto, Marcel; Kingshott, Peter

2009-01-01

Chromium surfaces can be electrografted with organic surface films using 4-nitro- or 4-fluorobenzenediazonium salts, despite the fact that the surfaces are covered with a protective chromium oxide layer......Chromium surfaces can be electrografted with organic surface films using 4-nitro- or 4-fluorobenzenediazonium salts, despite the fact that the surfaces are covered with a protective chromium oxide layer...

Synthesis of 4-Triazolylamino- and 4-Benzothiazolylamino-3-nitro-2H-[1]-Benzopyran-2-ones and their Antimicrobial Activity

OpenAIRE

Ramiz Hoti; Aferdita Nura-Lama; Gjyle Mulliqi-Osmani; Naser Troni; Fatbardh Gashi; Hamit Ismaili; Veprim Thaci

2014-01-01

Novel substituted benzopyran-2-one derivatives were synthesized by catalytic condensation reactions under reflux conditions. 4-(1,2,4-Triazolyl-3-amino)-3-nitro-2H-[1]-benzopyran-2-ones 4(a-b) were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2) and corresponding 3-aminotriazoles 3(a-b). 4-(4’-methoxy-2-benzothiazolylamino)-3-nitro-2H-[1]-benzopyran-2-one (4c), 4-(6’-nitro-2-benzothiazolylamino)-3-nitro-2H-[1]-benzopyiran-2-one (4d) and 4-(6’-fluoro-2-benzothiazoly...

In vivo photoacoustic tumor tomography using a quinoline-annulated porphyrin as NIR molecular contrast agent.

Science.gov (United States)

Luciano, Michael; Erfanzadeh, Mohsen; Zhou, Feifei; Zhu, Hua; Bornhütter, Tobias; Röder, Beate; Zhu, Quing; Brückner, Christian

2017-01-25

The synthesis and photophysical properties of a tetra-PEG-modified and freely water-soluble quinoline-annulated porphyrin are described. We previously demonstrated the ability of quinoline-annulated porphyrins to act as an in vitro NIR photoacoustic imaging (PAI) contrast agent. The solubility of the quinoline-annulated porphyrin derivative in serum now allowed the assessment of the efficacy of the PEGylated derivative as an in vivo NIR contrast agent for the PAI of an implanted tumor in a mouse model. A multi-fold contrast enhancement when compared to the benchmark dye ICG could be shown, a finding that could be traced to its photophysical properties (short triplet lifetimes, low fluorescence and singlet oxygen sensitization quantum yields). A NIR excitation wavelength of 790 nm could be used, fully taking advantage of the optical window of tissue. Rapid renal clearance of the dye was observed. Its straight-forward synthesis, optical properties with the possibility for further optical fine-tuning, nontoxicity, favorable elimination rates, and contrast enhancement make this a promising PAI contrast agent. The ability to conjugate the PAI chromophore with a fluorescent tag using a facile and general conjugation strategy was also demonstrated.

Analytical recovery of Cr (VI), Mo (VI), Ti (IV) and Co (II) by N-phenyl-meta-nitro-benzohydroxamic and N-P-tolyl-meta-nitro-benzohydroxamic acids

International Nuclear Information System (INIS)

Ahmed, Abdul Aziz Malik Mohamed

2000-05-01

Two hydroxamic acids were prepared; N-phenyl-m-nitro-benzohydroxamic and N-p-tolyl-m-nitro-benzo hydroxamic acids. N-phenyl-m-nitro-benzohydroxamic was prepared by coupling the β-phenyl hydroxylamine with m-nitro-benzoyl chloride in ratio 1:1 in alkaline medium at zero degree centigrade. It recrystallized from a mixture of benzene and petroleum ether (2:1) with the yield of 67%. The product was characterized by: A-nitrogen content which was found to be 10.7% (lit. 10.9%). B-infra-red spectroscopy. C-the molecular weight which was determined by titration, was found to be 257.7 gram (lit. 257 gram). D-the molecular weight which was determined by elevation of the boiling point, was found to be 253.7 gram (lit. 257 gram). E-characteristic violet color reaction with vanadium and blood-red reaction with ferric chloride solutions. F-melting point 117 degree centigrade. N-p-tolyl-m-nitro benzo hydroxamic acid was prepared by coupling the p-tolyl-hydroxylamine with m-nitro benzoyl chloride using the same procedure. It was recrystallized from a mixture of benzene and petroleum ether (2:1) with the yield of 63%. The product was characterized by: A-nitrogen content which was found to be 10.1% (lit. 10.3). B-infra-red spectroscopy. C-the molecular weight which was determined by titration, was found to be 271.6 gram (lit. 272). D-the molecular weight which was determined by elevation of the boiling point, was found to be 269.9 gram (lit. 272 gram). E.characteristic violet color reaction with vanadium and blood-red color with ferric chloride solutions. F-melting point which was found to be 105 degree centigrade (lit. 106 degree c). the two hydroxamic acids were used as analytical reagents for extraction of metal ions Ti (IV), Cr (VI), Mo (VI) and Co (II). With an equal volume of the organic and aqueous phase, and only one extraction, N-phenyl-m-nitro-benzohydroxamic acid was found to have a maximum extraction of 30.18% for Ti (IV) at pH 2.0, of 97.06% for Cr (VI) at 3MH 2 SO 4

Cooperative organocatalysis of Mukaiyama-type aldol reactions by thioureas and nitro compounds

KAUST Repository

Bukhriakov, Konstantin; Desyatkin, Victor G.; Rodionov, Valentin

2016-01-01

A unique organocatalytic system for Mukaiyama-type aldol reactions based on the cooperative action of nitro compounds and thioureas has been identified. This system is compatible with a wide range of substrates and does not require low temperatures, inert atmospheres, or an aqueous workup. A catalytic mechanism based on nitro group-mediated silyl cation transfer has been proposed. © The Royal Society of Chemistry 2016.

Cooperative organocatalysis of Mukaiyama-type aldol reactions by thioureas and nitro compounds

KAUST Repository

Bukhriakov, Konstantin

2016-05-16

A unique organocatalytic system for Mukaiyama-type aldol reactions based on the cooperative action of nitro compounds and thioureas has been identified. This system is compatible with a wide range of substrates and does not require low temperatures, inert atmospheres, or an aqueous workup. A catalytic mechanism based on nitro group-mediated silyl cation transfer has been proposed. © The Royal Society of Chemistry 2016.

Relationships for the impact sensitivities of energetic C-nitro compounds based on bond dissociation energy.

Science.gov (United States)

Li, Jinshan

2010-02-18

The ZPE-corrected C-NO(2) bond dissociation energies (BDEs(ZPE)) of a series of model C-nitro compounds and 26 energetic C-nitro compounds have been calculated using density functional theory methods. Computed results show that for C-nitro compounds the UB3LYP calculated BDE(ZPE) is less than the UB3P86 using the 6-31G** basis set, and the UB3P86 BDE(ZPE) changes slightly with the basis set varying from 6-31G** to 6-31++G**. For the series of model C-nitro compounds with different chemical skeletons, it is drawn from NBO analysis that the order of BDE(ZPE) is not only in line with that of the NAO bond order but also with that of the energy gap between C-NO(2) bonding and antibonding orbitals. It is found that for the energetic C-nitro compounds whose drop energies (Es(dr)) are below 24.5 J a good linear correlation exists between E(dr) and BDE(ZPE), implying that these compounds ignite through the C-NO(2) dissociation mechanism. After excluding the so-called trinitrotoluene mechanism compounds, a polynomial correlation of ln(E(dr)) with the BDE(ZPE) calculated at density functional theory levels has been established successfully for the 18 C-NO(2) dissociation energetic C-nitro compounds.

Di-?-cyanido-tetra?cyanido(5,5,7,12,12,14-hexa?methyl-1,4,8,11-tetra?aza?cyclo?tetra?decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

OpenAIRE

Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

2013-01-01

The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]?2.07H2O, contains one [Fe(qcq)(CN)3]? anion, half a [Ni(teta)]2+ cation and two partially occupied inter?stitial water mol?ecules [qcq? is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa?methyl-1,4,8,11-tetra?aza?cyclo?tetra?deca?ne]. In the complex mol?ecule, two [Fe(qcq)(CN)3]? anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode,...

Crystallization and preliminary X-ray crystallographic analysis of quinolinate phosphoribosyltransferase from porcine kidney in complex with nicotinate mononucleotide

International Nuclear Information System (INIS)

Youn, Hyung-Seop; Kim, Mun-Kyoung; Kang, Gil Bu; Kim, Tae Gyun; An, Jun Yop; Lee, Jung-Gyu; Park, Kyoung Ryoung; Lee, Youngjin; Fukuoka, Shin-Ichi; Eom, Soo Hyun

2012-01-01

Crystals of S. scrofa quinolinate phosphoribosyltransferase purified from porcine kidney in complex with nicotinate mononucleotidewere obtained and diffraction data were collected and processed to 2.1 Å resolution. Quinolinate phosphoribosyltransferase (QAPRTase) is a key enzyme in NAD biosynthesis; it catalyzes the formation of nicotinate mononucleotide (NAMN) from quinolinate and 5-phosphoribosyl-1-pyrophosphate. In order to elucidate the mechanism of NAMN biosynthesis, crystals of Sus scrofa QAPRTase (Ss-QAPRTase) purified from porcine kidney in complex with NAMN were obtained and diffraction data were collected and processed to 2.1 Å resolution. The Ss-QAPRTase–NAMN cocrystals belonged to space group P321, with unit-cell parameters a = 119.1, b = 119.1, c = 93.7 Å, γ = 120.0°. The Matthews coefficient and the solvent content were estimated as 3.10 Å 3 Da –1 and 60.3%, respectively, assuming the presence of two molecules in the asymmetric unit

Relationship between the Bond dissociation energies and impact sensitivities of some nitro-explosives

Energy Technology Data Exchange (ETDEWEB)

Song, Xiao-Shu [School of Physics and Chemistry, Guizhou Normal University, Guiyang (China); Institute of Atomic and Molecular Physics, Sichuan University, Chengdu (China); Cheng, Xin-Lu; Yang, Xiang-Dong [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu (China); He, Bi [Institute of Chemical Materials, CAEP, Mianyang (China)

2006-08-15

The bond dissociation energy (BDE) for removal of the NO{sub 2} group for eleven CHNO nitro-containing explosive molecules is studied to find its correlation with impact sensitivity. The BDE for removal of the NO{sub 2} group in nitroaromatic molecules with nitro alkyl, and esters with nitro alkyl, is calculated using the B3LYP method of Density Functional Theory with the 6-31G* basis set. The relationship between the impact sensitivities and the weakest C-NO{sub 2} bond dissociation energy values is examined. The results indicate a nearly linear correlation between the impact sensitivity and the ratio of the BDE value to the total molecular energy. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Discovery of Quinoline-Derived Trifluoromethyl Alcohols, Determination of Their in vivo Toxicity and Anticancer Activity in a Zebrafish Embryo Model.

Science.gov (United States)

Sittaramane, Vinoth; Padgett, Jihan; Salter, Philip; Williams, Ashley; Luke, Shauntelle; McCall, Rebecca; Arambula, Jonathan F; Graves, Vincent B; Blocker, Mark; Van Leuven, David; Bowe, Keturah; Heimberger, Julia; Cade, Hannah C; Immaneni, Supriya; Shaikh, Abid

2015-11-01

In this study the rational design, synthesis, and anticancer activity of quinoline-derived trifluoromethyl alcohols were evaluated. Members of this novel class of trifluoromethyl alcohols were identified as potent growth inhibitors in a zebrafish embryo model. Synthesis of these compounds was carried out with an sp(3) -C-H functionalization strategy of methyl quinolines with trifluoromethyl ketones. A zebrafish embryo model was also used to explore the toxicity of ethyl 4,4,4-trifluoro-3-hydroxy-3-(quinolin-2-ylmethyl)butanoate (1), 2-benzyl-1,1,1-trifluoro-3-(quinolin-2-yl)propan-2-ol (2), and trifluoro-3-(isoquinolin-1-yl)-2-(thiophen-2-yl)propan-2-ol (3). Compounds 2 and 3 were found to be more toxic than compound 1; apoptotic staining assays indicated that compound 3 causes increased cell death. In vitro cell proliferation assays showed that compound 2, with an LC50 value of 14.14 μm, has more potent anticancer activity than cisplatin. This novel class of inhibitors provides a new direction in the discovery of effective anticancer agents. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Visible-light-promoted and one-pot synthesis of phenanthridines and quinolines from aldehydes and O-acyl hydroxylamine.

Science.gov (United States)

An, Xiao-De; Yu, Shouyun

2015-06-05

A one-pot synthesis of phenanthridines and quinolines from commercially available or easily prepared aldehydes has been reported. O-(4-Cyanobenzoyl)hydroxylamine was utilized as the nitrogen source to generate O-acyl oximes in situ with aldehydes catalyzed by Brønsted acid. O-Acyl oximes were then subjected to visible light photoredox catalyzed cyclization via iminyl radicals to furnish aza-arenes. A variety of phenanthridines and quinolines have been prepared assisted by Brønsted acid and photocatalyst under visible light at room temperature with satisfactory yields.

Hydroxyl group induced adsorption of four-nitro benzoic acid on Si(100) 2x1 surface

International Nuclear Information System (INIS)

Ihm, K.; Kang, T.-H.; Hwang, C.C.; Kim, K.-J.; Hwang, H.-N.; Kim, H.-D.; Han, J.H.; Moon, S.; Kim, B.; POSTECH

2004-01-01

Full text: A number of studies have been conducted on self-assembled monolayers (SAMs) in order to study the adhesion of polymer films on various substrates. Recently, the studies on SAMs on the semiconductor substrate are more motivated because of their possible application to nanoscale devices. For the electronic and chemical properties suitable for various applications, the aromatic ring has been used as a building block of various molecules forming SAMs. Here, we used four-nitro benzoic acid (4-NBA) as a model planar aromatic compound, in which the phenyl ring, the carboxylic functional group, and NO2 are on the same plane. The adsorption mechanism of 4-NBA on the in-situ prepared OH/Si(100) 2x1 surface was investigated using x-ray photoelectron spectroscopy and near-edge x-ray absorption e structure. The results revealed that the 4-NBA molecule reacts with the hydroxyl group on the Si(100) 2x1 surface through deprotonation of the carboxyl group. The saturation coverage of 4-NBA estimated by the O 1s ratio is 1/2 ML. Additionally, we could observe the desorption of the oxygen atom from the NO2 moiety of the 4-NBA upon irradiating the surface by photons of 500 eV

8-Nitro-cGMP promotes bone growth through expansion of growth plate cartilage.

Science.gov (United States)

Hoshino, Marie; Kaneko, Kotaro; Miyamoto, Yoichi; Yoshimura, Kentaro; Suzuki, Dai; Akaike, Takaaki; Sawa, Tomohiro; Ida, Tomoaki; Fujii, Shigemoto; Ihara, Hideshi; Tanaka, Junichi; Tsukuura, Risa; Chikazu, Daichi; Mishima, Kenji; Baba, Kazuyoshi; Kamijo, Ryutaro

2017-09-01

In endochondral ossification, growth of bones occurs at their growth plate cartilage. While it is known that nitric oxide (NO) synthases are required for proliferation of chondrocytes in growth plate cartilage and growth of bones, the precise mechanism by which NO facilitates these process has not been clarified yet. C-type natriuretic peptide (CNP) also positively regulate elongation of bones through expansion of the growth plate cartilage. Both NO and CNP are known to use cGMP as the second messenger. Recently, 8-nitro-cGMP was identified as a signaling molecule produced in the presence of NO in various types of cells. Here, we found that 8-nitro-cGMP is produced in proliferating chondrocytes in the growth plates, which was enhanced by CNP, in bones cultured ex vivo. In addition, 8-nitro-cGMP promoted bone growth with expansion of the proliferating zone as well as increase in the number of proliferating cells in the growth plates. 8-Nitro-cGMP also promoted the proliferation of chondrocytes in vitro. On the other hand, 8-bromo-cGMP enhanced the growth of bones with expansion of hypertrophic zone of the growth plates without affecting either the width of proliferating zone or proliferation of chondrocytes. These results indicate that 8-nitro-cGMP formed in growth plate cartilage accelerates chondrocyte proliferation and bone growth as a downstream molecule of NO. Copyright © 2017. Published by Elsevier Inc.

Analysis of denitrifier community in a bioaugmented sequencing batch reactor for the treatment of coking wastewater containing pyridine and quinoline

Energy Technology Data Exchange (ETDEWEB)

Bai, Yaohui; Xing, Rui; Wen, Donghui; Tang, Xiaoyan [Peking Univ., Beijing (CN). Key Lab. of Water and Sediment Sciences (Ministry of Education); Sun, Qinghua [Peking Univ., Beijing (CN). Key Lab. of Water and Sediment Sciences (Ministry of Education); Chinese Center for Disease Control and Prevention, Beijing (China). Inst. of Environmental Health and Related Product Safety

2011-05-15

The denitrifier community and associated nitrate and nitrite reduction in the bioaugmented and general sequencing batch reactors (SBRs) during the treatment of coking wastewater containing pyridine and quinoline were investigated. The efficiency and stability of nitrate and nitrite reduction in SBR was considerably improved after inoculation with four pyridine- or quinoline-degrading bacterial strains (including three denitrifying strains). Terminal restriction fragment length polymorphism (T-RFLP) based on the nosZ gene revealed that the structures of the denitrifier communities in bioaugmented and non-bioaugmented reactors were distinct and varied during the course of the experiment. Bioaugmentation protected indigenous denitrifiers from disruptions caused by pyridine and quinoline. Clone library analysis showed that one of the added denitrifiers comprised approximately 6% of the denitrifier population in the bioaugmented sludge. (orig.)

Microwave-assisted synthesis of some nitro-benzimidazoles and their salicyl and isatin Schiff bases

Directory of Open Access Journals (Sweden)

F. Yılmaz

2017-11-01

Full Text Available A series of 5-nitrosubstituted benzimidazole and 6-nitro substituted benzimidazole derivatives were synthesized starting from iminoester hydrochloride and 4-nitro-o-phenylenediamine under microwave irradiation. The structure of newly synthesized compounds was confirmed by IR, 1H-NMR, 13C-NMR, LC-MS spectroscopy and elemental analysis.

Electrophilic nitro-fatty acids suppress allergic contact dermatitis in mice.

Science.gov (United States)

Mathers, A R; Carey, C D; Killeen, M E; Diaz-Perez, J A; Salvatore, S R; Schopfer, F J; Freeman, B A; Falo, L D

2017-04-01

Reactions between nitric oxide (NO), nitrite (NO2-), and unsaturated fatty acids give rise to electrophilic nitro-fatty acids (NO 2 -FAs), such as nitro oleic acid (OA-NO 2 ) and nitro linoleic acid (LNO 2 ). Endogenous electrophilic fatty acids (EFAs) mediate anti-inflammatory responses by modulating metabolic and inflammatory signal transduction reactions. Hence, there is considerable interest in employing NO 2 -FAs and other EFAs for the prevention and treatment of inflammatory disorders. Thus, we sought to determine whether OA-NO 2 , an exemplary nitro-fatty acid, has the capacity to inhibit cutaneous inflammation. We evaluated the effect of OA-NO 2 on allergic contact dermatitis (ACD) using an established model of contact hypersensitivity in C57Bl/6 mice utilizing 2,4-dinitrofluorobenzene as the hapten. We found that subcutaneous (SC) OA-NO 2 injections administered 18 h prior to sensitization and elicitation suppresses ACD in both preventative and therapeutic models. In vivo SC OA-NO 2 significantly inhibits pathways that lead to inflammatory cell infiltration and the production of inflammatory cytokines in the skin. Moreover, OA-NO 2 is capable of enhancing regulatory T-cell activity. Thus, OA-NO 2 treatment results in anti-inflammatory effects capable of inhibiting ACD by inducing immunosuppressive responses. Overall, these results support the development of OA-NO 2 as a promising therapeutic for ACD and provides new insights into the role of electrophilic fatty acids in the control of cutaneous immune responses potentially relevant to a broad range of allergic and inflammatory skin diseases. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Algoritmos genéticos locales

OpenAIRE

García-Martínez, Carlos; Lozano, Manuel

2007-01-01

Los Algoritmos Genéticos Locales son procedimientos que iterativamente re nan soluciones dadas. Su diferencia con procedimientos de mejora iterativa clásicos reside en el uso de operadores genéticos para realizar el re namiento. En este estudio presentamos un nuevo Algoritmo Genético Local Binario basado en un Algoritmo Genético Estacionario. Hemos comparado el Algoritmo Genético Local Binario con otros procedimientos de mejora iterativa de la literatura. Los res...

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)

1,8-Dihydroxy-2,4,5,7-tetranitro-9,10-anthraquinone

Directory of Open Access Journals (Sweden)

Mahsa Armaghan

2010-05-01

Full Text Available The ring system in the title compound, C14H4N4O12, is essentially planar (r.m.s. deviation of the carbon atoms = 0.085 Å; the two hydroxy groups form intramolecular hydrogen bonds to the same carbonyl O atom. The nitro groups are twisted with respect to the mean plane of the ring system by 74.3 (1 (1-nitro, 42.3 (3 (3-nitro, 45.7 (3 (6-nitro and 66.9 (1° (8-nitro.

Microstructural characteristics of toluene and quinoline-insolubles from coal-tar pitch and their cokes

Energy Technology Data Exchange (ETDEWEB)

Panaitescu, C. [University POLITEHNICA Bucharest, Faculty of Industrial Chemistry, Fuel Laboratory, Polizu St. 1, Sector 1, 011061, Bucharest (Romania); Predeanu, G. [Metallurgical Research Institute, Department of Raw Materials, Mehadia St. 39, Sector 6, 060543 Bucharest (Romania)

2007-08-01

The structural composition of coal-tar pitch used in the preparation of the special binder-pitch, was determined with special emphasis on the optical properties of the {beta}-resins, as typical components necessary to obtain electrodes of best quality through the pyrogenetic processes of baking and graphitization. In addition to raw toluene- and quinoline-insolubles (TI, QI), the corresponding cokes were analysed to evaluate, by structural composition and microtexture, the behaviour of pitch fractions during carbonization. The results suggest the dependence of the texture development on the type of toluene- and quinoline-insolubles and {beta}-resins during processing conditions, which influence the mesophase formation. An original and important result of the carbopetrographical study is represented by the identification and evaluation of {beta}-resins in the coke texture. (author)

Diiodido[methyl 2-(quinolin-8-yloxyacetate-κN]mercury(II

Directory of Open Access Journals (Sweden)

Yu-Hong Wang

2012-08-01

Full Text Available In the title mononuclear complex, [HgI2(C12H11NO3], the HgII ion has a distorted trigonal–planar coordination sphere defined by two I− anions and the N atom of a methyl 2-(quinolin-8-yloxyacetate ligand. In the crystal, face-to-face π–π stacking interactions, with a centroid–centroid distance of 3.563 (9 Å, are observed.

[Preparation of HDTMA-modified Zeolite and Its Performance in Nitro-phenol Adsorption from Wastewaters].

Science.gov (United States)

Guo, Jun-yuan; Wang, Bin

2016-05-15

In this study, natural zeolite was modified by HDTMA. Effects of the modified conditions, HDTMA-modified zeolite doses, solution pH values, and reaction time on nitro-phenol removal were investigated, and the adsorption kinetics and isotherms were discussed. Compared with natural zeolite, HDTMA-modified zeolite showed better performance in nitro-phenol removal. An adsorption capacity of 2.53 mg · g⁻¹ was achieved when the concentration of HDTMA solution (pH = 10) was 1.2% in preparation of modified zeolite. This adsorption capacity was higher than that obtained by natural zeolite (0.54 mg · g⁻¹). In adsorption tests, when HDTMA- modified zeolite dose was adjusted to 8 g · L⁻¹, the removal efficiency of nitro-phenol reached 93.9% after 90 min reaction, with wastewater pH of 6. Furthermore, the nitro-phenol adsorption process could be well fitted to the pseudo-first-order kinetics model (R² > 0.90), whereas the adsorption isotherm results indicated that Langmuir model provided the best fitting for the equilibrium data at different temperatures, with R² of higher than 0.90.

Solvent effect on copper-catalyzed azide-alkyne cycloaddition (CuAAC): synthesis of novel triazolyl substituted quinolines as potential anticancer agents.

Science.gov (United States)

Ellanki, Amarender Reddy; Islam, Aminul; Rama, Veera Swamy; Pulipati, Ranga Prasad; Rambabu, D; Krishna, G Rama; Reddy, C Malla; Mukkanti, K; Vanaja, G R; Kalle, Arunasree M; Kumar, K Shiva; Pal, Manojit

2012-05-15

A regioselective route to novel mono triazolyl substituted quinolines has been developed via copper-catalyzed azide-alkyne cycloaddition (CuAAC) of 2,4-diazidoquinoline with terminal alkynes in DMF. The reaction provided bis triazolyl substituted quinolines when performed in water in the presence of Et(3)N. A number of the compounds synthesized showed promising anti-proliferative properties when tested in vitro especially against breast cancer cells. Copyright © 2012 Elsevier Ltd. All rights reserved.

Divergência genética entre genótipos de frangos tipo caipira

Directory of Open Access Journals (Sweden)

R. C. Veloso

2015-10-01

Full Text Available RESUMOObjetivou-se com este trabalho verificar a divergência genética entre sete genótipos de frangos tipo caipira da linhagem Redbro utilizando as características de desempenho por meio de técnicas de análise multivariada. Foram utilizados 840 pintos de um dia, machos, distribuídos em delineamento inteiramente ao acaso, dos seguintes genótipos: Caboclo, Carijó, Colorpak, Gigante Negro, Pesadão Vermelho, Pescoço Pelado e Tricolor. Após a consistência dos dados, foram avaliadas as seguintes variáveis: ganho em peso médio diário, consumo de ração médio diário e conversão alimentar, para os períodos: 1 a 28, 1 a 56, 1 a 70 e 1 a 84 dias de idade; peso corporal ao nascimento, aos 28, 56, 70 e aos 84 dias de idade. O desempenho dos genótipos foi avaliado por meio da análise de variância multivariada e da função discriminante linear de Fisher, usando os testes do maior autovalor de Roy e da união-interseção de Roy para as comparações múltiplas. O estudo da divergência genética foi feito por meio da análise por variáveis canônicas e pelo método de otimização de Tocher. Os genótipos Caboclo e Gigante Negro apresentaram médias canônicas diferentes dos demais genótipos. As duas primeiras variáveis canônicas explicaram 97,41% da variação entre os genótipos. A divergência genética entre os genótipos avaliados permitiu a formação de quatro grupos com os seguintes genótipos: grupo 1 - Colorpak; grupo 2 - Pesadão Vermelho e Pescoço Pelado; grupo 3 - Carijó e Tricolor; e grupo 4 - Caboclo e Gigante Negro.

Asymmetric hydrogenation of quinolines catalyzed by iridium complexes of monodentate BINOL-derived phosphoramidites

NARCIS (Netherlands)

Mrsic, Natasa; Lefort, Laurent; Boogers, Jeroen A. F.; Minnaard, Adriaan J.; Feringa, Ben L.; de Vries, Johannes G.; Mršić, Nataša

The monodentate BINOL-derived phosphoramidite PipPhos is used as ligand for the iridium-catalyzed asymmetric hydrogenation of 2- and 2,6-substituted quinolines. If tri-ortho-tolylphosphine and/or chloride salts are used as additives enantioselectivities are strongly enhanced up to 89%. NMR indicates

Copper(II)-catalyzed electrophilic amination of quinoline N-oxides with O-benzoyl hydroxylamines.

Science.gov (United States)

Li, Gang; Jia, Chunqi; Sun, Kai; Lv, Yunhe; Zhao, Feng; Zhou, Kexiao; Wu, Hankui

2015-03-21

Copper acetate-catalyzed C-H bond functionalization amination of quinoline N-oxides was achieved using O-benzoyl hydroxylamine as an electrophilic amination reagent, thereby affording the desired products in moderate to excellent yields. Electrophilic amination can also be performed in good yield on a gram scale.

Synthesis of 1-(2,3-dihydroxypropyl)-2-nitro-1H-imidazole-2-14C and N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-YL-2-14C)acetamide

International Nuclear Information System (INIS)

Fong, M.T.; Leaffer, M.A.

1986-01-01

We have prepared the 14 C-labeled analogs of NSC 261036, 1-(2,3-dihydroxypropyl)-2-nitro-1H-imidazole-2- 14 C, and NSC 301467, N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl-2- 14 C) acetamide, for pharmacological, drug distribution, and mechanisms of action studies. The latter is an analog designed for lower toxicity and improved properties. The former is a metabolite of, and appears to be less toxic than, misonidazole. (author)

Quinoline-3-carboxamide Derivatives as Potential Cholesteryl Ester Transfer Protein Inhibitors

Directory of Open Access Journals (Sweden)

Jing-Kang Shen

2012-05-01

Full Text Available A series of novel quinoline-3-carboxamide derivatives 10–17 and 23–27 were designed and synthesized as cholesteryl ester transfer protein (CETP inhibitors. All of them exhibited activity against CETP. Particularly, compounds 24 and 26 displayed the best activity against CETP with the same inhibitory rate of 80.1%.

GenBank

OpenAIRE

Benson, Dennis A.; Cavanaugh, Mark; Clark, Karen; Karsch-Mizrachi, Ilene; Lipman, David J.; Ostell, James; Sayers, Eric W.

2012-01-01

GenBank? (http://www.ncbi.nlm.nih.gov) is a comprehensive database that contains publicly available nucleotide sequences for almost 260 000 formally described species. These sequences are obtained primarily through submissions from individual laboratories and batch submissions from large-scale sequencing projects, including whole-genome shotgun (WGS) and environmental sampling projects. Most submissions are made using the web-based BankIt or standalone Sequin programs, and GenBank staff assig...

Structure of pyridine and quinoline vinyl ethers according to data from 1H and 13C NMR spectra and quantum-chemical calculations

International Nuclear Information System (INIS)

Afonin, A.V.; Voronov, V.K.; Andriankov, M.A.; Danovich, D.K.

1987-01-01

A systematic investigation of the structure of the vinyl ethers of heterocyclic compounds has not been undertaken. The present work was devoted to investigation of the stereochemical and electronic structure of the vinyl ethers of pyridine and quinoline. The PMR spectra of the samples were recorded for 5% solutions in deuterochloroform on a Tesla BS-497 spectrometer at 100 MHz. The 13 C NMR spectra were recorded on a Tesla BS-567A spectrometer at 25.1 MHz in deuterochloroform with the samples at concentrations of 30%. The internal standard was HMDS. The vinyl ethers of pyridine and quinoline exist preferentially in the nonplanar S-trans conformation. In the vinyl esters of pyridine and quinoline the p-π conjugation is concurrent in nature and depends on the position of the vinyloxy group in the heterocycle

Using Statistical Analysis Software to Advance Nitro Plasticizer Wettability

Energy Technology Data Exchange (ETDEWEB)

Shear, Trevor Allan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-08-29

Statistical analysis in science is an extremely powerful tool that is often underutilized. Additionally, it is frequently the case that data is misinterpreted or not used to its fullest extent. Utilizing the advanced software JMP®, many aspects of experimental design and data analysis can be evaluated and improved. This overview will detail the features of JMP® and how they were used to advance a project, resulting in time and cost savings, as well as the collection of scientifically sound data. The project analyzed in this report addresses the inability of a nitro plasticizer to coat a gold coated quartz crystal sensor used in a quartz crystal microbalance. Through the use of the JMP® software, the wettability of the nitro plasticizer was increased by over 200% using an atmospheric plasma pen, ensuring good sample preparation and reliable results.

Synthesis of 4-Triazolylamino- and 4-Benzothiazolylamino-3-nitro-2H-[1]-Benzopyran-2-ones and their Antimicrobial Activity

Directory of Open Access Journals (Sweden)

Ramiz Hoti

2014-10-01

Full Text Available Novel substituted benzopyran-2-one derivatives were synthesized by catalytic condensation reactions under reflux conditions. 4-(1,2,4-Triazolyl-3-amino-3-nitro-2H-[1]-benzopyran-2-ones 4(a-b were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2 and corresponding 3-aminotriazoles 3(a-b. 4-(4’-methoxy-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyran-2-one (4c, 4-(6’-nitro-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyiran-2-one (4d and 4-(6’-fluoro-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyran-2-one (4e were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2 and corresponding 2-aminobenzothiazole 3(c-e under reflux reaction conditions. Further, alkali hydrolysis of 4(a-e afforded the 2-hydroxy-ω-nitroacetophenone (5. Antimicrobial activity of products 4(a-e against S. aurous, E. coli and Klebsiella were investigated measuring of inhibition zones around the discs which are marked with DMF, concentration 2 mg/mL, 4 mg/mL and 6 mg/mL solutions. Compounds 4c, 4e and 4d were more active against S. aureus. Emphatic activity against E. coli exhibited compounds 4b and 4e, whereas 4c and 4d were more active against Klebsiella.

Structural Analysis of Quinoline 2-Oxidoreductase from Pseudomonas putida 86

OpenAIRE

Bonin, Irena

2007-01-01

The crystal structure of the Quinoline 2-Oxidoreductase (Qor), a member of the molybdenum hydroxylase family, was solved at 1.8 Å resolution. Still controversial for molybdenum hydroxylases is the nature of the molybdenum apical ligand. In Qor the sulfido-ligand was found in the equatorial position while the oxo-ligand occupied the apical position. In addition, structural studies were carried out on two Nus family proteins. These resulted in the crystal structures of the transcription factors...

GenBank

OpenAIRE

Benson, Dennis A.; Karsch-Mizrachi, Ilene; Lipman, David J.; Ostell, James; Sayers, Eric W.

2008-01-01

GenBank? is a comprehensive database that contains publicly available nucleotide sequences for more than 300 000 organisms named at the genus level or lower, obtained primarily through submissions from individual laboratories and batch submissions from large-scale sequencing projects. Most submissions are made using the web-based BankIt or standalone Sequin programs, and accession numbers are assigned by GenBank? staff upon receipt. Daily data exchange with the European Molecular Biology Labo...

Differentiation of the molecular structure of nitro compounds as the basis for simulation of their thermal destruction processes

Energy Technology Data Exchange (ETDEWEB)

Korolev, V L; Pivina, Tatyana S; Sheremetev, Aleksei B [N.D.Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow (Russian Federation); Porollo, A A [University of Cincinnati, Cincinnati (United States); Petukhova, T V; Ivshin, Viktor P [Mari State University, Yoshkar-Ola (Russian Federation)

2009-10-31

Data on the experimental and theoretical studies of thermal decomposition of C- and N-nitro compounds of aliphatic, alicyclic, aromatic and heteroaromatic compounds, which formed the grounds for the development of ab initio approach to the prediction of the mechanisms of thermolysis of energetic compounds, are described systematically. The relationships between the structures and thermolysis mechanisms of compounds based on differentiation of the structural fragments depending on the functional surrounding of nitro groups are identified. Using the RRN (Recombination Reaction Network) strategy and original CASB (Computer Assisted Structure Building) software, full reaction mechanisms for the thermal destruction of nitro compounds at different thermal decomposition levels (including extensive ones) are simulated. The full set of possible mechanisms of thermal decomposition of 38 chemically different nitro compounds is presented

GenBank

OpenAIRE

Benson, Dennis A.; Karsch-Mizrachi, Ilene; Lipman, David J.; Ostell, James; Wheeler, David L.

2006-01-01

GenBank (R) is a comprehensive database that contains publicly available nucleotide sequences for more than 240 000 named organisms, obtained primarily through submissions from individual laboratories and batch submissions from large-scale sequencing projects. Most submissions are made using the web-based BankIt or standalone Sequin programs and accession numbers are assigned by GenBank staff upon receipt. Daily data exchange with the EMBL Data Library in Europe and the DNA Data Bank of Japan...

Deuterium isotope effects on 13C chemical shifts of 10-Hydroxybenzo[h]quinolines

DEFF Research Database (Denmark)

Hansen, Poul Erik; Kamounah, Fadhil S.; Gryko, Daniel T.

2013-01-01

Deuterium isotope effects on 13C-NMR chemical shifts are investigated in a series of 10-hydroxybenzo[h]quinolines (HBQ’s) The OH proton is deuteriated. The isotope effects on 13C chemical shifts in these hydrogen bonded systems are rather unusual. The formal four-bond effects are found to be nega...

Synthesis, structural studies and antituberculosis evaluation of new hydrazone derivatives of quinoline and their Zn(II complexes

Directory of Open Access Journals (Sweden)

Mustapha C. Mandewale

2018-02-01

Full Text Available The quinoline hydrazone ligands were synthesized through multi-step reactions. The 2-hydroxy-3-formylquinoline derivatives (1a–1c were prepared from acetanilide derivatives as starting materials using Vilsmeier–Haack reaction. Then the condensation of 2-hydroxy-3-formylquinoline derivatives with hydrazide derivatives (2a–2c yielded quinoline hydrazone ligands (3a–3i. The synthesis of a new series of Zn(II complexes carried out by refluxing with these quinoline hydrazone ligands (3a–3i is reported. The molecular structures of the ligands (3a–3i and the Zn complexes were characterized by elemental analysis and spectral studies like FT-IR, 1H and 13C NMR, MS, UV–Visible and fluorescence. The preliminary results of antituberculosis study showed that most of the Zn(II complexes 4a–4i demonstrated very good antituberculosis activity while the ligands 3a–3i showed moderate activity. Among the tested compounds 4e and 4g were found to be most active with minimum inhibitory concentration (MIC of 8.00μM and 7.42 μM respectively against Mycobacterium tuberculosis (H37 RV strain ATCC No-27294 which is comparable to “first and second line” drugs used to treat tuberculosis.

Characterization of bovine ruminal and equine cecal microbial populations enriched for enhanced nitro-toxin metabolizing activity

Science.gov (United States)

The phytochemicals 3-nitro-1-propionic acid (NPA) and 3-nitro-1-propanol (NPOH) are produced by a wide variety of leguminous plants, including over 150 different species and varieties of Astragalus. These compounds are toxic to naive grazing animals, but can be safely fed to cattle and sheep that h...

Synthesis and physicochemical investigation of 3-nitro-5-aminobenzoates of rare earths

International Nuclear Information System (INIS)

Makushova, G.N.; Zakharova, T.V.; Shilova, L.I.

1994-01-01

The compounds of cerium subgroup rare earth with 3-nitro-5-aminobenzoic acid of composition Ln(C 7 H 5 N 2 O 4 ) 3 ·nH 2 O, where Ln-La, Ce, Pr, Nd, Sm, Eu; n=4-14 not yet described in literature were obtained. Rare earth 3-nitro-5-aminobenzoates were individual crystal substances, as shown by X-ray diffraction; their interplanar distances were calculated. Thermal stability of the derived compounds was studied by means of thermography and thermal gravimetry. The interval of dehydration and start of decomposition of anhydrous salts was determined

A new and general method for the preparation of novel II-heterocyclic derivatives of ruthenium [C5Me5Ru (η6-arene)]X (arene = benzene, thiophene, 3-methylthiophene, benzothiophene, pyridine, 2.6 and 3.5-lutidine, quinoline, acridine). X-ray crystal structure of [(C5Me5)2Ru2Cl2(pyridine)2] PF6

International Nuclear Information System (INIS)

Chaudret, B.; Jalon, F.; Perez-Manrique, M.; Lahoz, F.; Plou, F.J.

1990-01-01

Zinc reduction of (Cp*RuCl 2 ) n (Cp* = C 5 Me 5 ) in acetone or THF followed by addition of 1 equivalent of an arene or aromatic heterocycle leads to compounds of general formulation [Cp* Ru(arene)]X (X = Cl, BF 4 ). Coordination of benzene is rapid and competes successfully with any other arene. Thiophene and 3-methylthiophene give stable π adducts whereas benzothiophene is coordinated through the benzene not through the heterocyclic ring. 2.6 and 3.5-lutidine coordinate through the ring, thus demonstrating an electronic rather than steric stabilization. Again, quinoline and acridine coordinate through the benzene ring. Pyridine gives an unstable π adduct in THF. A paramagnetic mixed-valence species, byproduct of the reaction in THF, has been characterized by an X-ray crystal structure determination. Crystals are triclinic, space group P-1

4-(4-Bromophenyl-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H-one including an unknown solvate

Directory of Open Access Journals (Sweden)

S. Antony Inglebert

2014-05-01

Full Text Available In the title compound, C18H19BrN2O4, the chromene unit is not quite planar (r.m.s. deviation = 0.199 Å, with the methyl C atoms lying 0.027 (4 and 1.929 (4 Å from the mean plane of the chromene unit. The six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation, with the dimethyl-substituted C atom as the flap. The methylamine and nitro groups are slightly twisted from the chromene moiety, with C—N—C—O and O—N—C—C torsion angles of 2.7 (4 and −0.4 (4°, respectively. The dihedral angle between the mean plane of the chromene unit and the benzene ring is 85.61 (13°. An intramolecular N—H...O hydrogen bond generates an S(6 ring motif, which stabilizes the molecular conformation. In the crystal, molecules are linked via N—H...O hydrogen bonds, forming hexagonal rings lying parallel to the ab plane. A region of disordered electron density, most probably disordered ethanol solvent molecules, occupying voids of ca 432 Å3 for an electron count of 158, was treated using the SQUEEZE routine in PLATON [Spek (2009. Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

Nitro-oxidative stress, VEGF and MMP-9 in patients with cirrhotic and non-cirrhotic portal hypertension.

Science.gov (United States)

Muti, Leon Adrian; Pârvu, Alina Elena; Crăciun, Alexandra M; Miron, Nicolae; Acalovschi, Monica

2015-01-01

Nitro-oxidative stress may have pathophysiological consequences. The study aimed to assess the nitro-oxidative stress, the vascular growth factor, and metalloproteinase-9 levels in patients with noncirrohic and cirrhotic portal hypertension. Patients with noncirrhotic portal hypertension (n=50) and cirrhotic portal hypertension (n=50) from the 3rd Medical Clinic in Cluj-Napoca Romania were prospectively enrolled between October 2004 and October 2006. A control group of healthy volunteers (n=50) was also evaluated. Nitro-oxidative stress was assessed by measuring serum concentration of nitrites and nitrate, 3-nitrotyrosine, total oxidative status, total antioxidant reactivity, and oxidative stress index. Serum vascular growth factor and matrix metalloproteinase-9 were also determined. Serum nitrites and nitrate levels significantly increased in both noncirrhotic (pportal hypertension (p=0.057). 3-nitrotyrosine also increased in noncirrhotic (p=0.001) and cirrhotic portal hypertension patients (p=0.014). Total oxidative status showed a significant increase in noncirrhotic (pportal hypertension (pportal hypertension (pportal hypertension a significant systemic nitro-oxidative stress was found, correlated with an increase of VEGF. MMP-9 decreased in noncirrhotic portal hypertension.

Potentiometric titrations of para and nitro substituted aromatic acids and their mixtures in methylethyl ketone

International Nuclear Information System (INIS)

Ozeroglu, C.; Karahan, M.

2011-01-01

In this study, it was the purpose to examine the potentiometric titrations of para and nitro substituted aromatic acids in methylethyl ketone (MEK) as a non-aqueous solvent. Good analytical results were obtained in determining the amount of each acid and the amounts of acids in their ternary mixtures by using 0.0964 N tetrabuthylammoniumhydroxyde (TBAH) as a standard titrant. Methylethyl ketone (MEK) which is a good solvent for many organic compounds and has a convenient liquid range of -86 to 80 deg. C was used for titration of the para and nitro substituted aromatic acids. A linear relationship has been found between pKa values of the para and nitro substituted aromatic acids in water and the half neutralization potential (HNP) values determined by potentiometric titration curves of the same acids in MEK. (author)

NITRO MUSK BOUND TO CARP HEMOGLOBIN ...

Science.gov (United States)

Nitroaromatic compounds including synthetic nitro musks are important raw materials and intermediates in the synthesis of explosives, dyes, and pesticides, pharmaceutical and personal care-products (PPCPs). The nitro musks such as musk xylene (MX) and musk ketone (MK) are extensively used as fragrance ingredients in PPCPs and other commercial toiletries. Identification and quantification of a bound 4-amino-MX (4-AMX) metabolite as well as a 2- amino-MK (2-AMK) metabolite were carried out by gas chromatography-mass spectrometry' (GC/MS), with selected ion monitoring (SIM) in both the electron ionization (ElMS) and electron capture (EC) negative ion chemical ionization (NICIMS) modes. Detection of 4-AMX and 2-AMK occurred after the cysteine adducts in carp hemoglobin, derived from the nitroso metabolites, were released by alkaline hydrolysis. The released metabolites were extracted into n-hexane. The extract was preconcentrated by evaporation, and analyzed by GC-SIM-MS. A comparison between the El and EC approaches was made. EC NICIMS detected both metabolites whereas only 4-AMX was detected by ElMS. The EC NICIMS approach exhibited fewer matrix responses and provided a lower detection limit. Quantitation in both approaches was based on internal standard and a calibration plot. The research focused on in the subtasks is the development and application of state-of the-art technologies to meet the needs of the public, Office of Water, and ORD in the area of Water Q

Determination of UO2(II), and Ce(III) complexes formed with halogen and nitro derivatives of 8-hydroxyquinoline

International Nuclear Information System (INIS)

Teksoez, S.; Uenak, P.

2001-01-01

Proton-ligand stability constants for some iodo and nitro derivatives of 8-hydroxyquinoline were determined by Calvin Bjerrum potantiometrical method. The stability constants of the corresponding chelates with UO 2 (II), Th(IV) and Ce(III) were studied potentiometrically at 25 degree Celsius by applying Irving-Rossotti computing method. The complexes of the nitro-substituted ligands were less stable than the corresponding complexes of the unsubstituted ligands. The stability constants of metal-ligands depend on the ionic radii and ionic charge of metals and also they decrease with steric repulsions of the nitro groups

Divergência, variabilidade genética e desempenho agronômico em genótipos de couve.

OpenAIRE

Azevedo, Alcinei Mistico

2012-01-01

Embora haja grande variabilidade genética para a couve, são poucos trabalhos no Brasil que visão obter informações para programas de melhoramento genético nesta cultura. Assim, objetivou-se neste trabalho caracterizar 30 genótipos de couve a partir de caracteres morfo-agronômicos para estimar a divergência genética, a importância dos caracteres para a divergência, o desempenho agronômico, os parâmetros genéticos e a correlação entre as características avaliadas. O experimento foi conduzido na...

The ytterbium nitrate-quinoline (piperidine) nitrate-water system

International Nuclear Information System (INIS)

Khisaeva, D.A.; Boeva, M.K.; Zhuravlev, E.F.

1985-01-01

Using the method of cross sections the solubility of solid phases in the ytterbium nitrate-quinoline nitrate - water (1) and ytterbium nitrate-piperidine nitrate-water (2) systems is studied at 25 and 50 deg C. It is established, that in system 1 congruently melting compound of the composition Yb(NO 3 ) 3 x2C 9 H 7 NxHNO 3 x3H 2 O is formed. The new solid phase has been isolated as a preparation and subjected to chemical X-ray diffraction, differential thermal and IR spectroscopic analyses. Isotherms of system 2 in the studied range of concentrations and temperatures consist of two branches, corresponding to crystallization of tetruaqueous ytterbi um nitrate and nitric acid piperidine

Market share scenarios for Gen-DIII and gen-IV reactors in Europe

International Nuclear Information System (INIS)

Roelofs, F.; Heek, A. V.; Durpel, L. V. D.

2008-01-01

Nuclear energy is back on the agenda worldwide in order to meet growing energy demand and especially the growth in electricity demand. Many objectives direct to an increased use of nuclear energy, i.e. minimising energy costs, reducing climate change effects and others. In the light of the potential renewed growth of nuclear energy, the public demands a clear view on what nuclear energy may contribute towards meeting these objectives and especially how nuclear energy may address some socio-political obstructions with respect to economics, radioactive waste, safety and proliferation of fissile materials. To address these questions, the future nuclear reactor park mix in Europe has been analysed applying an integrated dynamic process modelling technique. Various market share scenarios for nuclear energy are derived including sub-variants with regard to the intra-nuclear options. In the analyses, it is assumed that different types of new reactors may be built, taking into account the introduction date of considered Gen-Ill (i.e. EPR) and Gen-IV (i.e. SCWR, HTR, FR) reactors, and the economic evaluation of the complete fuel cycle. The assessment was undertaken using the DANESS code (Dynamic Analysis of Nuclear Energy System Strategies). The analyses show that given the considered realistic nuclear energy demand and given a limited number of available Gen-III and Gen-IV reactor types, the future European nuclear park will exist of combinations of Gen-III and Gen-IV reactors. This mix will always consist of a set of reactor types each having its specific strengths. The analyses also highlight the triggers influencing the choice between different nuclear energy deployment scenarios. (authors)

6-Chloro-3-[5-(3-methoxy-8-methyl-4-quinolyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenylquinoline

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2009-11-01

Full Text Available In the title compound, C36H29ClN4O, the dihydropyrazole ring adopts an envelope conformation. The two quinoline ring systems (r.m.s. deviations = 0.029 and 0.018 Å are oriented at a dihedral angle of 71.43 (4°. One of the quinoline rings makes a dihedral angle of 65.40 (7° with the phenyl substituent. In the crystal, molecules are linked into chains along the b axis by intermolecular C—H...N hydrogen bonds. In addition, C—H...π and π–π [centroid–centroid distance = 3.7325 (8 Å] interactions are observed.

Detection of Quinoline in G. boninense-Infected Plants Using Functionalized Multi-Walled Carbon Nanotubes: A Field Study.

Science.gov (United States)

Akanbi, Fowotade Sulayman; Yusof, Nor Azah; Abdullah, Jaafar; Sulaiman, Yusran; Hushiarian, Roozbeh

2017-07-01

Carbon nanotubes (CNTs) reinforced with gold nanoparticles (AuNPs) and chitosan nanoparticles (CTSNPs) were anchored on a screen-printed electrode to fabricate a multi-walled structure for the detection of quinoline. The surface morphology of the nanocomposites and the modified electrode was examined by an ultra-high resolution field emission scanning electron microscope (FESEM), and Fourier-transform infrared (FT-IR) spectroscopy was used to confirm the presence of specific functional groups on the multi-walled carbon nanotubes MWCNTs. Cyclic voltammetry (CV) and linear sweep voltammetry (LSV) were used to monitor the layer-by-layer assembly of ultra-thin films of nanocomposites on the surface of the electrode and other electrochemical characterizations. Under optimized conditions, the novel sensor displayed outstanding electrochemical reactivity towards the electro-oxidation of quinoline. The linear range was fixed between 0.0004 and 1.0 μM, with a limit of detection (LOD) of 3.75 nM. The fabricated electrode exhibited high stability with excellent sensitivity and selectivity, specifically attributable to the salient characteristics of AuNPs, CTSNPs, and MWCNTs and the synergistic inter-relationship between them. The newly developed electrode was tested in the field. The Ipa increased with an increase in the amount of quinoline solution added, and the peak potential deviated minimally, depicting the real capability of the newly fabricated electrode.

Detection of Quinoline in G. boninense-Infected Plants Using Functionalized Multi-Walled Carbon Nanotubes: A Field Study

Directory of Open Access Journals (Sweden)

Fowotade Sulayman Akanbi

2017-07-01

Full Text Available Carbon nanotubes (CNTs reinforced with gold nanoparticles (AuNPs and chitosan nanoparticles (CTSNPs were anchored on a screen-printed electrode to fabricate a multi-walled structure for the detection of quinoline. The surface morphology of the nanocomposites and the modified electrode was examined by an ultra-high resolution field emission scanning electron microscope (FESEM, and Fourier-transform infrared (FT-IR spectroscopy was used to confirm the presence of specific functional groups on the multi-walled carbon nanotubes MWCNTs. Cyclic voltammetry (CV and linear sweep voltammetry (LSV were used to monitor the layer-by-layer assembly of ultra-thin films of nanocomposites on the surface of the electrode and other electrochemical characterizations. Under optimized conditions, the novel sensor displayed outstanding electrochemical reactivity towards the electro-oxidation of quinoline. The linear range was fixed between 0.0004 and 1.0 μM, with a limit of detection (LOD of 3.75 nM. The fabricated electrode exhibited high stability with excellent sensitivity and selectivity, specifically attributable to the salient characteristics of AuNPs, CTSNPs, and MWCNTs and the synergistic inter-relationship between them. The newly developed electrode was tested in the field. The Ipa increased with an increase in the amount of quinoline solution added, and the peak potential deviated minimally, depicting the real capability of the newly fabricated electrode.

IJS v10 n1.cdr

African Journals Online (AJOL)

De Don

2-dicarbonyl derivatives under different reaction conditions) have been reported to show various biological properties. The quinoxaline ring system has been described as bioisoster of aromatic rings, including quinoline, naphthalene,.

Effects of nitro-heterocyclic derivatives against Leishmania (Leishmania) infantum promastigotes and intracellular amastigotes.

Science.gov (United States)

Petri e Silva, Simone Carolina Soares; Palace-Berl, Fanny; Tavares, Leoberto Costa; Soares, Sandra Regina Castro; Lindoso, José Angelo Lauletta

2016-04-01

Leishmaniasis is an overlooked tropical disease affecting approximately 1 million people in several countries. Clinical manifestation depends on the interaction between Leishmania and the host's immune response. Currently available treatment options for leishmaniasis are limited and induce severe side effects. In this research, we tested nitro-heterocyclic compounds (BSF series) as a new alternative against Leishmania. Its activity was measured in Leishmania (Leishmania) infantum promastigotes and intracellular amastigotes using MTT colorimetric assay. Additionally, we assessed the phosphatidylserine exposure by promastigotes, measured by flow cytometry, as well as nitric oxide production, measured by Griess' method. The nitro-heterocyclic compounds (BSF series) showed activity against L. (L.) infantum promastigotes, inducting the phosphatidylserine exposition by promastigotes, decreasing intracellular amastigotes and increasing oxide nitric production. The selectivity index was more prominent to Leishmania than to macrophages. Compared to amphotericin b, our compounds presented higher IC50, however the selectivity index was more specific to parasite than to amphotericin b. In conclusion, these nitro-heterocyclic compounds showed to be promising as an anti-Leishmania drug, in in vitro studies. Copyright © 2016 Elsevier Inc. All rights reserved.

Nitro-oleic acid modulates classical and regulatory activation of macrophages and their involvement in pro-fibrotic responses

Czech Academy of Sciences Publication Activity Database

Ambrožová, Gabriela; Martíšková, Hana; Koudelka, A.; Ravekes, T.; Rudolph, T.K.; Klinke, A.; Rudolph, V.; Freeman, B.A.; Woodcock, S.R.; Kubala, Lukáš; Pekarová, Michaela

2016-01-01

Roč. 90, JAN 2016 (2016), s. 252-260 ISSN 0891-5849 R&D Projects: GA ČR(CZ) GP13-40824P Grant - others:GAAV(CZ) M200041208 Institutional support: RVO:68081707 Keywords : Nitro-fatty acids * Nitro-oleic acid * Macrophages Subject RIV: BO - Biophysics Impact factor: 5.606, year: 2016

Nitro-fatty acids reduce atherosclerosis in apolipoprotein E-deficient mice

Czech Academy of Sciences Publication Activity Database

Rudolph, T.K.; Rudolph, V.; Edreira, M.M.; Cole, M.P.; Bonacci, G.; Schopfer, F.J.; Woodcock, S.R.; Franek, A.; Pekarová, Michaela; Khoo, N.K.H.; Hasty, A.H.; Baldus, S.; Freeman, B.A.

2010-01-01

Roč. 30, č. 5 (2010), s. 938-945 ISSN 1079-5642 Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702 Keywords : nitro-fatty acids * atherosclerosis * foam cells Subject RIV: BO - Biophysics Impact factor: 7.215, year: 2010

Distinctions in sensitivity and repair of cells of children with some hereditary diseases

International Nuclear Information System (INIS)

Zasukhina, G.D.; Barashnev, Yu.I.; Vasil'eva, I.M.; Sdirkova, N.I.; Semyachkina, A.N.

1982-01-01

A study was made of blood cell sensitivity of children, with some hereditary diseases, to ν-radiation and 4-nitro-quinoline-1-oxide. Using the host cell reactivation and chromatographic methods we revealed the increase in the sensitivity to the above mentioned agents and inhibition of the repair function in cells of patients with the following diseases: Marfan's disease, histidinemia, osteogenesis imperfecta, Sylvere-Russelle, Laurence, Franchescetti, and Losch-Nychane syndromes

Spectroscopic determination of ionization constants of quinoline and 3-aminoquinoline at different temperature

International Nuclear Information System (INIS)

Indhar, H.A.B.

2000-01-01

Quinoline and its derivative are chemically and biologically important heterocylic compounds. Its ionization constant (pK/sub a/ values have been previously determined only at 18 or 20 deg. C. We have enhanced this work at different temperatures from 20-50 deg. C at the interval of 5 deg. C. The dissociation constants (pk/sub a/s), and Gibb's free energies of quinoline and 3-aminoquinoline have been determined by UV-Spectrophotometer (lambda 2) equipped with a temperature control of - + 0.1 deg. C at temperatures ranging from 20-50 deg. C in water. The experimental data have been used for the determination of thermodynamic ionization constants (pk /sub a //sup t/) sub t/, concentration ionization constants (pK/sub a//sup M/) and Gibbs's free energy values of pK/sub a/sup M/. The ionization constant values decrease with increase of temperature. The significance of relative magnitudes of the values is discussed and some useful generalization are obtained. The curves are parabolic. A computer program in GW-BASIC calculates the values of dissociation constants. From the pK/sub a/ values, Gibb's free energies are compared and discussed. (author)

Crystal structure of trans-di-chloridobis-[N-(5,5-di-methyl-4,5-di-hydro-3H-pyrrol-2-yl-κN)acetamide]palladium(II) dihydrate.

Science.gov (United States)

Lasri, Jamal; Eltayeb, Naser Eltaher; Haukka, Matti; Babgi, Bandar A

2017-04-01

The title complex, [PdCl 2 (C 8 H 14 N 2 O) 2 ]·2H 2 O, was obtained by N-O bond cleavage of the oxa-diazo-line rings of the trans -[di-chlorido-bis-(2,5,5-trimethyl-5,6,7,7a-tetra-hydro-pyrrolo-[1,2- b ][1,2,4]oxa-diazole- N 1 )]palladium(II) complex. The palladium(II) atom exhibits an almost square-planar coordination provided by two trans -arranged chloride anions and a nitro-gen atom from each of the two neutral organic ligands. In the crystal, N-H⋯O, O-H⋯O and O-H⋯Cl hydrogen bonds link complex mol-ecules into double layers parallel to the bc plane.

Mechanisms involved in the vasorelaxant effects produced by the acute application of amfepramone in vitro to rat aortic rings

Energy Technology Data Exchange (ETDEWEB)

López-Canales, J.S. [Section of Postgraduate Studies and Investigation, Higher School of Medicine from the National Polytechnic Institute, Mexico City (Mexico); Department of Cellular Biology, National Institute of Perinatology, Mexico City (Mexico); Lozano-Cuenca, J.; Muãoz-Islas, E.; Aguilar-Carrasco, J.C. [Department of Cellular Biology, National Institute of Perinatology, Mexico City (Mexico); López-Canales, O.A.; López-Mayorga, R.M.; Castillo-Henkel, E.F.; Valencia-Hernández, I.; Castillo-Henkel, C. [Section of Postgraduate Studies and Investigation, Higher School of Medicine from the National Polytechnic Institute, Mexico City (Mexico)

2015-03-27

Amfepramone (diethylpropion) is an appetite-suppressant drug used for the treatment of overweight and obesity. It has been suggested that the systemic and central activity of amfepramone produces cardiovascular effects such as transient ischemic attacks and primary pulmonary hypertension. However, it is not known whether amfepramone produces immediate vascular effects when applied in vitro to rat aortic rings and, if so, what mechanisms may be involved. We analyzed the effect of amfepramone on phenylephrine-precontracted rat aortic rings with or without endothelium and the influence of inhibitors or blockers on this effect. Amfepramone produced a concentration-dependent vasorelaxation in phenylephrine-precontracted rat aortic rings that was not affected by the vehicle, atropine, 4-AP, glibenclamide, indomethacin, clotrimazole, or cycloheximide. The vasorelaxant effect of amfepramone was significantly attenuated by NG-nitro-L-arginine methyl ester (L-NAME) and tetraethylammonium (TEA), and was blocked by removal of the vascular endothelium. These results suggest that amfepramone had a direct vasorelaxant effect on phenylephrine-precontracted rat aortic rings, and that inhibition of endothelial nitric oxide synthase and the opening of Ca{sup 2+}-activated K{sup +} channels were involved in this effect.

Mechanisms involved in the vasorelaxant effects produced by the acute application of amfepramone in vitro to rat aortic rings

International Nuclear Information System (INIS)

López-Canales, J.S.; Lozano-Cuenca, J.; Muãoz-Islas, E.; Aguilar-Carrasco, J.C.; López-Canales, O.A.; López-Mayorga, R.M.; Castillo-Henkel, E.F.; Valencia-Hernández, I.; Castillo-Henkel, C.

2015-01-01

Amfepramone (diethylpropion) is an appetite-suppressant drug used for the treatment of overweight and obesity. It has been suggested that the systemic and central activity of amfepramone produces cardiovascular effects such as transient ischemic attacks and primary pulmonary hypertension. However, it is not known whether amfepramone produces immediate vascular effects when applied in vitro to rat aortic rings and, if so, what mechanisms may be involved. We analyzed the effect of amfepramone on phenylephrine-precontracted rat aortic rings with or without endothelium and the influence of inhibitors or blockers on this effect. Amfepramone produced a concentration-dependent vasorelaxation in phenylephrine-precontracted rat aortic rings that was not affected by the vehicle, atropine, 4-AP, glibenclamide, indomethacin, clotrimazole, or cycloheximide. The vasorelaxant effect of amfepramone was significantly attenuated by NG-nitro-L-arginine methyl ester (L-NAME) and tetraethylammonium (TEA), and was blocked by removal of the vascular endothelium. These results suggest that amfepramone had a direct vasorelaxant effect on phenylephrine-precontracted rat aortic rings, and that inhibition of endothelial nitric oxide synthase and the opening of Ca 2+ -activated K + channels were involved in this effect

UV IRRADIATION OF AROMATIC NITROGEN HETEROCYCLES IN INTERSTELLAR ICE ANALOGS

Science.gov (United States)

Elsila, J. E.; Bernstein, M. P.; Sanford, S. A.

2005-01-01

Here, we present information on the properties of the ANH quinoline frozen in interstellar water-ice analogs. Quinoline is a two-ring compound structurally analogous to the PAH naphthalene. In this work, binary mixtures of water and quinoline were frozen to create interstellar ice analogs, which were then subjected to ultraviolet photolysis. We will present the infrared spectra of the resulting ices at various temperatures, as well as chromatographic analysis of the residues remaining upon warm-up of these ices to room temperature.

Comparative characterisation of two nitroreductases from Giardia lamblia as potential activators of nitro compounds

Directory of Open Access Journals (Sweden)

Joachim Müller

2015-08-01

Full Text Available Giardia lamblia is a protozoan parasite that causes giardiasis, a diarrhoeal disease affecting humans and various animal species. Nitro drugs such as the nitroimidazole metronidazole and the nitrothiazolide nitazoxanide are used for treatment of giardiasis. Nitroreductases such as GlNR1 and GlNR2 may play a role in activation or inactivation of these drugs. The aim of this work is to characterise these two enyzmes using functional assays. For respective analyses recombinant analogues from GlNR1 and GlNR2 were produced in Escherichia coli. E. coli expressing GlNR1 and GlNR2 alone or together were grown in the presence of nitro compounds. Furthermore, pull-down assays were performed using HA-tagged GlNR1 and GlNR2 as baits. As expected, E. coli expressing GlNR1 were more susceptible to metronidazole under aerobic and semi-aerobic and to nitazoxanide under semi-aerobic growth conditions whereas E. coli expressing GlNR2 were susceptible to neither drug. Interestingly, expression of both nitroreductases gave the same results as expression of GlNR2 alone. In functional assays, both nitroreductases had their strongest activities on the quinone menadione (vitamin K3 and FAD, but reduction of nitro compounds including the nitro drugs metronidazole and nitazoxanide was clearly detected. Full reduction of 7-nitrocoumarin to 7-aminocoumarin was preferentially achieved with GlNR2. Pull-down assays revealed that GlNR1 and GlNR2 interacted in vivo forming a multienzyme complex. These findings suggest that both nitroreductases are multifunctional. Their main biological role may reside in the reduction of vitamin K analogues and FAD. Activation by GlNR1 or inactivation by GlNR2 of nitro drugs may be the consequence of a secondary enzymatic activity either yielding (GlNR1 or eliminating (GlNR2 toxic intermediates after reduction of these compounds.

Convenient synthesis of 2,2-Dimethyl-3,4-dihydro-2 H-pyrano[2,3- b]quinolines

Digital Repository Service at National Institute of Oceanography (India)

Parsekar, S.B.; Amonkar, C.P.; Parameswaran, P.S.; Tilve, S.G.

A convenient general synthesis of 2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinolines using the Wittig reaction is described. The o-nitrobenzaldehydes (1a-d) on reaction with phosphorane 2 provided (E)-ethyl-a-(2,2-dimethylprop-2-ene)-2...

New inorganic-organic hybrid materials based on SBA-15 molecular sieves involved in the quinolines synthesis

Czech Academy of Sciences Publication Activity Database

López-Sanz, J.; Pérez-Mayoral, E.; Soriano, E.; Sturm, M.; Martín-Aranda, R. M.; López-Peinado, A. J.; Čejka, Jiří

2012-01-01

Roč. 187, č. 1 (2012), s. 97-103 ISSN 0920-5861 R&D Projects: GA AV ČR KAN100400701 Institutional support: RVO:61388955 Keywords : mesoporous molecular sieves * heterogeneous catalysis * quinolines Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.980, year: 2012

Ternary systems, consist of erbium nitrates, water and nitrates of pyridines, quinolines

International Nuclear Information System (INIS)

Starikova, L.I.; Zhuravlev, E.F.; Khalfina, L.R.

1979-01-01

At 25 and 50 deg C investigated is solubility of solid phases in ternary water salt systems: erbium nitrate-pyridine nitrate-water; erbium nitrate-quinoline nitrate-water. Formation of congruently soluble compounds of the Er(NO 3 ) 3 x2C 5 H 5 NxHNO 3 , Er(NO 3 ) 3 x2C 9 H 7 NxHNO 3 x4H 2 O composition is established. X-ray phase and thermogravimetric analyses have been carried out

Ruthenium-catalysed synthesis of 2- and 3-substituted quinolines from anilines and 1,3-diols

DEFF Research Database (Denmark)

Monrad, Rune Nygaard; Madsen, Robert

2011-01-01

A straightforward synthesis of substituted quinolines is described by cyclocondensation of anilines with 1,3-diols. The reaction proceeds in mesitylene solution with catalytic amounts of RuCl3·xH 2O, PBu3 and MgBr2·OEt2. The transformation does not require any stoichiometric additives and only...

Synthesis and Antimicrobial Activity of Novel Substituted Ethyl 2-(Quinolin-4-yl-propanoates

Directory of Open Access Journals (Sweden)

Yong Zhou

2013-03-01

Full Text Available Substituted 4-hydroxyquinolines were synthesized from anilines and diethyl 2-(ethoxymethylenemalonate by the Gould-Jacobs reaction via cyclization of the intermediate anilinomethylenemalonate followed by hydrolysis and decarboxylation. The 4-hydroxyquinolines reacted with phosphorous oxychloride to form 4-chloroquinolines, which reacted on heating with diethyl sodiomethylmalonate in DMF to yield moderate yields of substituted ethyl 2-(quinolin-4-ylpropanoates, many of which showed potent antimicrobial activity against Helicobacter pylori.

Distinctions in sensitivity and repair of cells of children with some hereditary diseases

Energy Technology Data Exchange (ETDEWEB)

Zasukhina, G.D.; Barashnev, Yu.I.; Vasil' eva, I.M.; Sdirkova, N.I.; Semyachkina, A.N. (AN SSSR, Moscow. Inst. Obshchej Genetiki)

A study was made of blood cell sensitivity of children with some hereditary diseases, to ..gamma..-radiation and 4-nitro-quinoline-1-oxide. Using the host cell reactivation and chromatographic methods we revealed the increase in the sensitivity to the above mentioned agents and inhibition of the repair function in cells of patients with the following diseases: Marfan's disease, histidinemia, osteogenesis imperfecta, Sylvere-Russelle, Laurence, Franchescetti, and Losch-Nychane syndromes.

Polymers Containing Diphenylvinyl-Substituted Indole Rings as Charge-Transporting Materials for OLEDs

Science.gov (United States)

Grigalevicius, S.; Zostautiene, R.; Sipaviciute, D.; Stulpinaite, B.; Volyniuk, D.; Grazulevicius, J. V.; Liu, L.; Xie, Z.; Zhang, B.

2016-02-01

Monomers and polymers containing electronically isolated diphenylvinyl-substituted indole rings were synthesized and characterized by nuclear magnetic resonance (NMR) and mass spectroscopies as well as by gel permeation chromatography. The polymers represent amorphous materials with glass transition temperatures of 91-109°C and thermal decomposition starting above 307°C. Electron photoemission spectra of thin films of the synthesized polymers revealed ionization potentials of 5.54-5.58 eV. The synthesized polymers were tested as hole-transporting materials in simple electroluminescent organic light-emitting diode (OLED) devices with tris(quinolin-8-olato)aluminium (Alq3) as an emitter as well as an electron-transporting layer. A green OLED device containing a hole-transporting layer of poly[1-(2,3-epithiopropyl)-2-methyl-3-(2,2-diphenylvinyl)índole] exhibited the best overall performance with a driving voltage of 4.0 V, maximum photometric efficiency of 2.8 cd/A and maximum brightness of about 4200 cd/m2.

Determination of polycyclic aromatic hydrocarbons and their oxy-, nitro-, and hydroxy-oxidation products

International Nuclear Information System (INIS)

Cochran, R.E.; Dongari, N.; Jeong, H.; Beránek, J.; Haddadi, S.; Shipp, J.; Kubátová, A.

2012-01-01

Highlights: ► We describe a method for determining PAHs and their oxidation products. ► Solid-phase extraction was used to fractionate PAHs and their oxidation products. ► Gas chromatography–mass spectrometry methods were optimized. ► The developed method was applied to two particulate matter (PM) samples. - Abstract: A sensitive method has been developed for the trace analysis of PAHs and their oxidation products (i.e., nitro-, oxy-, and hydroxy-PAHs) in air particulate matter (PM). Following PM extraction, PAHs, nitro-, oxy-, and hydroxy-PAHs were fractionated using solid phase extraction (SPE) based on their polarities. Gas chromatography–mass spectrometry (GC–MS) conditions were optimized, addressing injection (i.e., splitless time), negative-ion chemical ionization (NICI) parameters, i.e., source temperature and methane flow rate, and MS scanning conditions. Each class of PAH oxidation products was then analyzed using the sample preparation and appropriate ionization conditions (e.g., nitro-PAHs exhibited the greatest sensitivity when analyzed with NICI–MS while hydroxy-PAHs required chemical derivatization prior to GC–MS analysis). The analyses were performed in selected-ion-total-ion (SITI) mode, combining the increased sensitivity of selected-ion monitoring (SIM) with the identification advantages of total-ion current (TIC). The instrumental LODs determined were 6–34 pg for PAHs, 5–36 pg for oxy-PAHs, and 1–21 pg for derivatized hydroxy-PAHs using electron ionization (GC-EI-MS). NICI–MS was found to be a useful tool for confirming the tentative identification of oxy-PAHs. For nitro-PAHs, LODs were 1–10 pg using negative-ion chemical ionization (GC-NICI-MS). The developed method was successfully applied to two types of real-world PM samples, diesel exhaust standard reference material (SRM 2975) and wood smoke PM.

GenLab, Laboratorio Virtual de Genética

Directory of Open Access Journals (Sweden)

Fidel Ramírez

2000-07-01

Full Text Available GenLab es el nombre que tiene el software diseñado por nosotros, en el cual se modela el proceso meiótico y la fecundación en organismos diploides. El objetivo de esta aplicación es ilustrar el resultado de un cruce determinado, tratando de ser lo más ajustados a la realidad. La modelación de la reproducción sexual se realiza internamente y el GenLab se limita a presentar los resultados según el número de descendencia seleccionado para un cruce específico, esto significa que se puede escoger una gran cantidad de características para los parentales y se puede estudiar la frecuencia de estos en la descendencia. El modelo cuenta con base de datos donde están almacenados algunos de los locus de Drosophila melanogaster junto con su ubicación en centimorgans 1. EI propósito de este modelo es servir como herramienta pedagógica  y didáctica tanto en universidades como en colegios, facilitando el aprendizaje de algunos principios básicos de la genética, por lo cual puede ser usado si se cuenta con una conexión a Internet y un navegador visitando http://biologia.unal.edu.co/fidel.

Experimental and theoretical studies on IR, Raman, and UV-Vis spectra of quinoline-7-carboxaldehyde.

Science.gov (United States)

Kumru, M; Küçük, V; Kocademir, M; Alfanda, H M; Altun, A; Sarı, L

2015-01-05

Spectroscopic properties of quinoline-7-carboxaldehyde (Q7C) have been studied in detail both experimentally and theoretically. The FT-IR (4000-50 cm(-1)), FT-Raman (4000-50 cm(-1)), dispersive-Raman (3500-50 cm(-1)), and UV-Vis (200-400 nm) spectra of Q7C were recorded at room temperature (25 °C). Geometry parameters, potential energy surface about CCH(O) bond, harmonic vibrational frequencies, IR and Raman intensities, UV-Vis spectrum, and thermodynamic characteristics (at 298.15K) of Q7C were computed at Hartree-Fock (HF) and density functional B3LYP levels employing the 6-311++G(d,p) basis set. Frontier molecular orbitals, molecular electrostatic potential, and Mulliken charge analyses of Q7C have also been performed. Q7C has two stable conformers that are energetically very close to each other with slight preference to the conformer that has oxygen atom of the aldehyde away from the nitrogen atom of the quinoline. Copyright © 2014 Elsevier B.V. All rights reserved.

Mutagenicity in salmonella of nitro-organic compounds in extracts of fly ash of a fluidized-bed combustor

International Nuclear Information System (INIS)

Remsen, J.F.; Harris, W.R.

1983-01-01

The mutagenicity of a crude benzene/methanol extract of fly ash from an atmospheric fluidized-bed combustor was tested in Salmonella. Six strains were used including three which were mutants in a nitroreductase gene locus. The numbers of revertants from his- to his+ as a function of the amount of fly ash extracted were determined. The results showed that the major mutagens in the crude extract were nitro compounds from the fact that reversion rates in the nitro-reductase-deficient strains were significantly lower than in the parent strains from which they were derived. The responses of three parental strains, TA1538, TA98, and TA100, were quite similar, thus no conclusions could be made about frameshift versus base-substitution mutagens. No identification of specific nitro-organic compounds has been made

Grafting polyethylenimine with quinoline derivatives for targeted imaging of intracellular Zn2+ and logic gate operations

International Nuclear Information System (INIS)

Pan, Yi; Shi, Yupeng; Chen, Junying; Wong, Chap-Mo; Zhang, Heng; Li, Mei-Jin; Li, Cheuk-Wing; Yi, Changqing

2016-01-01

In this study, a highly sensitive and selective fluorescent Zn 2+ probe which exhibited excellent biocompatibility, water solubility, and cell-membrane permeability, was facilely synthesized in a single step by grafting polyethyleneimine (PEI) with quinoline derivatives. The primary amino groups in the branched PEI can increase water solubility and cell permeability of the probe PEIQ, while quinoline derivatives can specifically recognize Zn 2+ and reduce the potential cytotoxicity of PEI. Basing on fluorescence off-on mechanism, PEIQ demonstrated excellent sensing capability towards Zn 2+ in absolute aqueous solution, where a high sensitivity with a detection limit as low as 38.1 nM, and a high selectivity over competing metal ions and potential interfering amino acids, were achieved. Inspired by these results, elementary logic operations (YES, NOT and INHIBIT) have been constructed by employing PEIQ as the gate while Zn 2+ and EDTA as chemical inputs. Together with the low cytotoxicity and good cell-permeability, the practical application of PEIQ in living cell imaging was satisfactorily demonstrated, emphasizing its wide application in fundamental biology research. - Graphical abstract: The fluorescent Zn 2+ probe, PEIQ, is facilely synthesized by grafting PEI with 8-CAAQ, and demonstrated for the pratical applications in Zn 2+ imaging and implementation of molecular logic operations within biological cells. - Highlights: • PEIQ, fluorescent Zn 2+ probe, is synthesized by grafting PEI with quinoline derivatives. • PEIQ exhibits high sensitivity and selectivity in absolute aqueous solution. • PEIQ is biocompatible, water soluble, and cell-membrane permeable. • Elementary logic operations have been demonstrated for PEIQ/Zn 2+ /EDTA system. • The practical application of PEIQ in living cell imaging is demonstrated.

Variational RRKM calculation of thermal rate constant for C–H bond fission reaction of nitro methane

Directory of Open Access Journals (Sweden)

Afshin Taghva Manesh

2017-02-01

Full Text Available The present work provides quantitative results for the rate constants of unimolecular C–H bond fission reactions in the nitro methane at elevated temperatures up to 2000 K. In fact, there are three different hydrogen atoms in the nitro methane. The potential energy surface for each C–H bond fission reaction of nitro methane was investigated by ab initio calculations. The geometry and vibrational frequencies of the species involved in this process were optimized at the MP2 level of theory, using the cc-pvdz basis set. Since C–H bond fission channel is a barrierless reaction, we have used variational RRKM theory to predict rate coefficients. By means of calculated rate coefficients at different temperatures, the Arrhenius expression of the channel over the temperature range of 100–2000 K is k(T = 5.9E19∗exp(−56274.6/T.

Seleção de genótipos parentais de acerola com base na divergência genética multivariada

Directory of Open Access Journals (Sweden)

CARPENTIERI-PÍPOLO VALÉRIA

2000-01-01

Full Text Available Este trabalho teve por objetivo identificar e selecionar genótipos parentais de acerola (Malpighia emarginata L. adequadas a programas de melhoramento genético. Nove caracteres quantitativos de maior importância agronômica foram usados para determinação da distância genética e formação de grupos similares de acessos. O agrupamento pelo método de Tocher, a partir das distâncias generalizadas de Mahalanobis, possibilitou a divisão de 14 genótipos em três grupos. Com base na divergência genética e no caráter agronômico-chave (teor de vitamina C, destacaram-se como mais promissores os cruzamentos dos genótipos: AM Mole pertencente ao grupo III, com os genótipos PR AM, N° 18, PR 17, PR 16, Eclipse, AM 22 e Dominga, todos pertencentes ao grupo I.

Influence of methoxy- and nitro-substitutions in the aromatic ring on proton donation ability in hydrogen bond and on the amino group parameters of free and H-bonded molecules of 2-aminopyrimidine

Science.gov (United States)

Borisenko, V. E.; Krekov, S. A.; Fomenko, M. Yu.; Koll, A.; Lipkovski, P.

2008-06-01

Amino- and imino- forms of pyrimidine are widely presented as part of antibiotics, corrective medications for heart failures and metabolic stimulators. Hydrogen bonding is one of the fundamental interactions between biologically active molecules. This type of interactions provides flexibility, speed and variety of the biochemical processes. Proton donation properties of aminopyrimidines significantly depend on the position, number and kind of the substituent in its aromatic ring. In present work we studied the influence of the methoxy- and nitro-substitutions in the phenyl radical of pyridine and pyrimidine cycles on the proton donation ability of the amino group in hydrogen bonds as well as on its geometrical, force, electro-optical and thermodynamical characteristics in free and H-bonded (1:1 and 1:2, with various proton acceptors) molecules of primary aromatic amines. Acetonitrile, dioxane, tetrahydrofourane, dimethylformamide, dimethylsulfoxide and hexamethylphosphoramide (whose proton accepting properties vary within a wide range) were used as proton acceptors in our research. In the region of the amino group stretching and deformation vibrations the IR spectra of free and H-bonded (1:1) molecules of 2-amino-4,6-dimethoxy- and 2-amino-5-nitropyrimidine were studied in complexes with proton acceptors in CCl 4 within the temperature range 288-328 K. The spectra of 1:2 complexes were studied in undiluted aprotic solvents. The following spectral characteristics of absorption bands in amino group stretching vibrations were determined: M(0) (zero spectral moment, integrated intensity B); M(1) (first spectral moment, band "centre of gravity"); effective half width, related to the second central moment (Δ ν1/2) eff = 2( M(2)) 1/2, frequencies of the deformation vibrations δ(HNH) of free and H-bonded molecules. It was shown that changes of the absorption band spectral characteristics of the amino group stretching and deformation vibrations in the analyzed

Synthesis of Quinolines through Three-Component Cascade Annulation of Aryl Diazonium Salts, Nitriles, and Alkynes.

Science.gov (United States)

Wang, Hao; Xu, Qian; Shen, Sheng; Yu, Shouyun

2017-01-06

An efficient and rapid synthesis of multiply substituted quinolines is described. This method is enabled by a three-component cascade annulation of readily available aryl diazonium salts, nitriles, and alkynes. This reaction is catalyst- and additive-free. Various aryl diazonium salts, nitriles, and alkynes can participate in this transformation, and the yields are up to 83%.

Mitigation of PAH and nitro-PAH emissions from nonroad diesel engines.

Science.gov (United States)

Liu, Z Gerald; Wall, John C; Ottinger, Nathan A; McGuffin, Dana

2015-03-17

More stringent emission requirements for nonroad diesel engines introduced with U.S. Tier 4 Final and Euro Stage IV and V regulations have spurred the development of exhaust aftertreatment technologies. In this study, several aftertreatment configurations consisting of diesel oxidation catalysts (DOC), diesel particulate filters (DPF), Cu zeolite-, and vanadium-based selective catalytic reduction (SCR) catalysts, and ammonia oxidation (AMOX) catalysts are evaluated using both Nonroad Transient (NRTC) and Steady (8-mode NRSC) Cycles in order to understand both component and system-level effects of diesel aftertreatment on emissions of polycyclic aromatic hydrocarbons (PAH) and their nitrated derivatives (nitro-PAH). Emissions are reported for four configurations including engine-out, DOC+CuZ-SCR+AMOX, V-SCR+AMOX, and DOC+DPF+CuZ-SCR+AMOX. Mechanisms responsible for the reduction, and, in some cases, the formation of PAH and nitro-PAH compounds are discussed in detail, and suggestions are provided to minimize the formation of nitro-PAH compounds through aftertreatment design optimizations. Potency equivalency factors (PEFs) developed by the California Environmental Protection Agency are then applied to determine the impact of aftertreatment on PAH-derived exhaust toxicity. Finally, a comprehensive set of exhaust emissions including criteria pollutants, NO2, total hydrocarbons (THC), n-alkanes, branched alkanes, saturated cycloalkanes, aromatics, aldehydes, hopanes and steranes, and metals is provided, and the overall efficacy of the aftertreatment configurations is described. This detailed summary of emissions from a current nonroad diesel engine equipped with advanced aftertreatment can be used to more accurately model the impact of anthropogenic emissions on the atmosphere.

Ionic liquid catalyzed convenient synthesis of imidazo[1,2-a]quinoline under sonic condition

Energy Technology Data Exchange (ETDEWEB)

Patel, Devji S.; Avalani, Jemin R.; Raval, Dipak K., E-mail: dipanalka@yahoo.com [Department of Chemistry, Sardar Patel University Gujarat (India)

2012-10-15

An efficient protocol for the synthesis of imidazo[1,2-a]quinoline from aldehydes, enaminones, and malononitrile using 1,8-diazabicyclo[5.4.0]-undec-7-en-8-ium acetate ([DBU][Ac]) as a catalyst under ultrasound irradiation is described. Compared with other methods, this new method has the advantages of easier work-up, milder reaction conditions, high yields and environmentally benign procedure. (author)

3-Nitro-phenol-1,3,5-triazine-2,4,6-tri-amine (2/1).

Science.gov (United States)

Sangeetha, V; Kanagathara, N; Chakkaravarthi, G; Marchewka, M K; Anbalagan, G

2013-06-01

The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitro-phenol mol-ecules. The mean planes of the 3-nitro-phenol mol-ecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4) and 88.36 (5)°. In the crystal, mol-ecules are linked via O-H⋯N, N-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional network. The crystal also features weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.9823 (9) Å].

Biological properties of nitro-fatty acids in plants.

Science.gov (United States)

Mata-Pérez, Capilla; Padilla, María N; Sánchez-Calvo, Beatriz; Begara-Morales, Juan C; Valderrama, Raquel; Chaki, Mounira; Barroso, Juan B

2018-03-27

Nitro-fatty acids (NO 2 -FAs) are formed from the reaction between nitrogen dioxide (NO 2 ) and mono and polyunsaturated fatty acids. Knowledge concerning NO 2 -FAs has significantly increased within a few years ago and the beneficial actions of these species uncovered in animal systems have led to consider them as molecules with therapeutic potential. Based on their nature and structure, NO 2 -FAs have the ability to release nitric oxide (NO) in aqueous environments and the capacity to mediate post-translational modifications (PTM) by nitroalkylation. Recently, based on the potential of these NO-derived molecules in the animal field, the endogenous occurrence of nitrated-derivatives of linolenic acid (NO 2 -Ln) was assessed in plant species. Moreover and through RNA-seq technology, it was shown that NO 2 -Ln can induce a large set of heat-shock proteins (HSPs) and different antioxidant systems suggesting this molecule may launch antioxidant and defence responses in plants. Furthermore, the capacity of this nitro-fatty acid to release NO has also been demonstrated. In view of this background, here we offer an overview on the biological properties described for NO 2 -FAs in plants and the potential of these molecules to be considered new key intermediaries of NO metabolism in the plant field. Copyright © 2018 Elsevier Inc. All rights reserved.

Convenient solvatochromic probes for the determination of solvent properties: {beta}-carotene and 2-chloro-7-nitro-9H-fluorene

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Seoud, Omar A. El; Pires, Paulo A.R.; Loffredo, Carina; Imran, Muhammad; Pulcini, Paolo D.; Correa, Michelle F.; Mustafa, Rizwana, E-mail: elseoud@iq.usp.br [Universidade de Sao Paulo (USP), SP (Brazil). Instituto de Quimica

2013-07-15

Solvent dipolarity/polarizability (SDP) has been previously calculated from the UV-Vis spectra of 2-(N,N-dimethylamino)-7-nitro-9H-fluorene and 2-fluoro-7-nitro-9H- fluorene. Based on theoretical calculations (23 solvents) and experimental data (56 solvents), it is shown that 2-chloro-7-nitro-9H-fluorene (commercially available) can be conveniently employed for the calculation of this property, instead of its 2-fluoro-7-nitro counterpart. The splitting of SDP into its components (solvent dipolarity (SD) and polarizability (SP)) requires the use of a synthetic polyene compound whose synthesis is laborious, involving 15 steps. Our research group has recently shown that the natural dye {beta}-carotene can be conveniently employed for the determination of SP, allowing the calculation of SD. Using these solvatochromic probes, SDP, SP and SD for a series of 1-bromo alkanes were calculated. For several homologous series, the dependence of solvent SDP (SD and SP for one series) on the number of carbon atoms in the 1-alkyl- or acyl-group was calculated and discussed. (author)

The rapid synthesis of high purity [{sup 18}F]butyrophenone neuroleptics from nitro precursors for PET study

Energy Technology Data Exchange (ETDEWEB)

Hashizume, Kazunari; Hashimoto, Naoto; Kato, Hiroo; Cork, D G; Miyake, Yoshihiro [National Cardiovascular Center, Suita, Osaka (Japan)

1995-04-01

We have completed rapid syntheses of [{sup 18}F]butyrophenone neuroleptics ([{sup 18}F]haloperidol and [{sup 18}F]spiperone) from their nitro precursors in high radiochemical yields (up to 21%) by combining a one-step nitro-fluoro exchange reaction and a novel high performance liquid chromatography (HPLC) separation method. The synthesis time was ca. 95 min and both the radiochemical and chemical purities of the labeled products were over 99%. (author).

Nitro Stretch Probing of a Single Molecular Layer to Monitor Shock Compression with Picosecond Time-Resolution

Science.gov (United States)

Berg, Christopher; Lagutchev, Alexei; Fu, Yuanxi; Dlott, Dana

2011-06-01

To obtain maximum possible temporal resolution, laser-driven shock compression of a molecular monolayer was studied using vibrational spectroscopy. The stretching transitions of nitro groups bound to aromatic rings was monitored using a nonlinear coherent infrared spectroscopy termed sum-frequency generation, which produced high-quality signals from this very thin layer. To overcome the shock opacity problem, a novel polymer overcoat method allowed us to make the observation window (witness plate) a few micrometers thick. The high signal-to-noise ratios (>100:1) obtained via this spectroscopy allowed us to study detailed behavior of the shocked molecules. To help interpret these vibrational spectra, additional spectra were obtained under conditions of static pressures up to 10 GPa and static temperatures up to 1000 C. Consequently, this experiment represents a significant step in resolving molecular dynamics during shock compression and unloading with both high spatial and temporal resolution. Supported by the Stewardship Sciences Academic Alliance Program from the Carnegie-DOE Alliance Center under grant number DOE CIW 4-3253-13 and the US Air Force Office of Scientific Research under award number FAA9550-09-1-0163.

Quinolinic Acid: An Endogenous Neurotoxin with Multiple Targets

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Rafael Lugo-Huitrón

2013-01-01

Full Text Available Quinolinic acid (QUIN, a neuroactive metabolite of the kynurenine pathway, is normally presented in nanomolar concentrations in human brain and cerebrospinal fluid (CSF and is often implicated in the pathogenesis of a variety of human neurological diseases. QUIN is an agonist of N-methyl-D-aspartate (NMDA receptor, and it has a high in vivo potency as an excitotoxin. In fact, although QUIN has an uptake system, its neuronal degradation enzyme is rapidly saturated, and the rest of extracellular QUIN can continue stimulating the NMDA receptor. However, its toxicity cannot be fully explained by its activation of NMDA receptors it is likely that additional mechanisms may also be involved. In this review we describe some of the most relevant targets of QUIN neurotoxicity which involves presynaptic receptors, energetic dysfunction, oxidative stress, transcription factors, cytoskeletal disruption, behavior alterations, and cell death.

NITRO MUSK BOUND TO CARP HEMOGLOBIN: DETERMINATION BY GC WITH TWO MS DETECTION MODES: EIMS VERSUS ELECTRON CAPTURE NEGEATIVE ION MS

Science.gov (United States)

Nitroaromatic compounds including synthetic nitro musks are important raw materials and intermediates in the synthesis of explosives, dyes, and pesticides, pharmaceutical and personal care-products (PPCPs). The nitro musks such as musk xylene (MX) and musk ketone (MK) are extensi...

Synthesis and crystal structures of 5'-phenylspiro[indoline-3, 2'-pyrrolidin]-2-one derivatives

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Perumal Subbu

2011-07-01

Full Text Available Abstract Background The spiro- indole-pyrrolidine ring system is a frequently encountered structural motif in many biologically important and pharmacologically relevant alkaloids. The derivatives of spirooxindole ring systems are used as antimicrobial, antitumour agents and as inhibitors of the human NKI receptor besides being found in a number of alkaloids like horsifiline, spirotryprostatin and (+ elacomine. The recently discovered small-molecule MDM2 inhibitor MI-219 and its analogues are in advanced preclinical development as cancer therapeutics. Results In the crystal structures of the two organic compounds, 4'-Nitro-3',5'-diphenylspiro[indoline-3,2'-pyrrolidin]-2-one and 3'-(4-Methoxyphenyl- 4'-nitro -5'-phenylspiro[indoline-3,2'-pyrrolidin]-2-one, N-H···O hydrogen bonds make the R22 (8 ring motif. Further, the structures are stabilized by intermolecular hydrogen bonds. Conclusion The crystal structures of 4'-Nitro-3',5'-diphenylspiro[indoline-3,2'-pyrrolidin]-2-one and 3'-(4-Methoxyphenyl- 4'-nitro -5'-phenylspiro[indoline-3,2'-pyrrolidin]-2-one have been investigated in detail. In both the compounds, the R22(8 motif is present. Due to the substitution of methoxyphenyl instead of phenyl ring, the entire configuration is inverted with respect to the 2-oxyindole ring.

MICROWAVE-ASSISTED SYNTHESIS OF SOME 5(6)-NITRO-1H ...

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temperature sensor. All reactions were monitored by TLC using precoated aluminum sheets. (silica gel 60 F 2.54 0.2 mm thickness). Synthesis of compounds 2a-d. Conventional method. A mixture of 4-nitro-o-phenylenediamine (0.01 mol) and corresponding iminoester hydrochloride 1(a-d) (0.013 mol) in methanol (30 mL) ...

Synthesis of 2-azetidinone derivatives of 6-nitro-1H-indazole and their biological importance

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Pushkal Samadhiya

2012-01-01

Full Text Available A new series of 3-chloro-1-{[2-(6-nitro-1H-indazol-1-ylethyl]amino}-4-(substituted phenyl-2-azetidinones (4a-j was synthesized in four steps from 6-nitro-1H-indazole and characterized by IR, ¹H NMR, 13C NMR, FAB-mass spectrometry and chemical methods. Compounds 4(a-j were screened in vitro for their antibacterial, antifungal and antitubercular activities against some selected microorganism and for their antiinflammatory activity (in vivo against albino rats (either sex. All above activities of compounds 4(a-j showed acceptable results.

Novel 3-Nitro-1H-1,2,4-triazole-based Amides and Sulfonamides as Potential anti-Trypanosomal Agents

Science.gov (United States)

Papadopoulou, Maria V.; Bloomer, William D.; Rosenzweig, Howard S.; Chatelain, Eric; Kaiser, Marcel; Wilkinson, Shane R.; McKenzie, Caroline; Ioset, Jean-Robert

2012-01-01

A series of novel 3-nitro-1H-1,2,4-triazole-(and in some cases 2-nitro-1H-imidazole)-based amides and sulfonamides were characterized for their in vitro anti-trypanosomal and antileishmanial activities as well as mammalian toxicity. Out of 36 compounds tested, 29 (mostly 3-nitro-1H-1,2,4-triazoles) displayed significant activity against T. cruzi intracellular amastigotes (IC50 ranging from 28 nM to 3.72 μM) without concomitant toxicity to L6 host cells (selectivity 66 to 2782). Twenty three of these active compounds were more potent (up to 58 fold) than the reference drug benznidazole, tested in parallel. In addition, 9 nitrotriazoles which were moderately active (0.5 μM ≤ IC50 amides and sulfonamides are potent anti-trypanosomal agents. PMID:22550999

Synthesis of (R)-5-(Di[2,3-3H2]propylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one-([3H]U-86170) and (R)-5-([2,3-3H2]propylamino)-5,6-dihydro-4H-imidazo(4,5,1-ij) quinolin-2(1H)-one ([3H]U-91356)

International Nuclear Information System (INIS)

Moon, M.W.; Hsi, R.S.P.

1992-01-01

(R)-5-(diallylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one (12b) was prepared in 9% overall yield from 3-aminoquinoline. Reaction of 12b in ethyl acetate with tritium gas in presence of a 5% platinum on carbon catalyst afforded a mixture of (R)-5-(di[2,3- 3 H 2 ]propylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]-quinolin-2(1H)-one ([ 3 H]U-86170, 69 Ci/mmol) and (R)-5-([2,3- 3 H 2 ]-propylamino)5,6-dihydro-4H-imidazo-[4,5,1-ij]quinolin-2(1H)-one ( [ 3 H]U-91356, 34 Ci/mmol) which was separated by preparative reverse-phase chromatography. U-86170 and U-91356 are potent dopamine D2 agonists. The labelled compounds are useful for drug disposition studies. [ 3 H]U-86170 is also useful as a dopamine D2 agonist radioligand for receptor binding studies. (author)

CD4+ count and Nitro-Blue Tetrazolium reduction rate of neutrophil ...

African Journals Online (AJOL)

CD4+ count and Nitro-Blue Tetrazolium reduction rate of neutrophil in newly diagnosed HIV-infected adults in Sokoto Metropolis. U.K. Mustapha, C.C. Onyenekwe, A. Yakubu, B.R. Alkali, M.H. Yeldu, K.M. Hamid, I. Abdullahi, N.M. Bunza, M. Bello, A.B. Ibrahim ...

FutureGen Project Report

Energy Technology Data Exchange (ETDEWEB)

Cabe, Jim; Elliott, Mike

2010-09-30

This report summarizes the comprehensive siting, permitting, engineering, design, and costing activities completed by the FutureGen Industrial Alliance, the Department of Energy, and associated supporting subcontractors to develop a first of a kind near zero emissions integrated gasification combined cycle power plant and carbon capture and storage project (IGCC-CCS). With the goal to design, build, and reliably operate the first IGCC-CCS facility, FutureGen would have been the lowest emitting pulverized coal power plant in the world, while providing a timely and relevant basis for coal combustion power plants deploying carbon capture in the future. The content of this report summarizes key findings and results of applicable project evaluations; modeling, design, and engineering assessments; cost estimate reports; and schedule and risk mitigation from initiation of the FutureGen project through final flow sheet analyses including capital and operating reports completed under DOE award DE-FE0000587. This project report necessarily builds upon previously completed siting, design, and development work executed under DOE award DE-FC26- 06NT4207 which included the siting process; environmental permitting, compliance, and mitigation under the National Environmental Policy Act; and development of conceptual and design basis documentation for the FutureGen plant. For completeness, the report includes as attachments the siting and design basis documents, as well as the source documentation for the following: • Site evaluation and selection process and environmental characterization • Underground Injection Control (UIC) Permit Application including well design and subsurface modeling • FutureGen IGCC-CCS Design Basis Document • Process evaluations and technology selection via Illinois Clean Coal Review Board Technical Report • Process flow diagrams and heat/material balance for slurry-fed gasifier configuration • Process flow diagrams and heat/material balance

Experimental and theoretical studies of 3-benzyloxy-2-nitropyridine

Science.gov (United States)

Sun, Wenting; Cui, Yu; Liu, Huimin; Zhao, Haitao; Zhang, Wenqin

2012-10-01

The structure of 3-benzyloxy-2-nitropyridine has been investigated both experimentally and theoretically. The X-ray crystallography results show that the nitro group is tilted out of the pyridine ring plane by 66.4(4)°, which is mainly attributed to the electron-electron repulsions of the lone pairs in O atom of the 3-benzyloxy moiety with O atom in nitro group. An interesting centrosymmetric π-stacking molecular pair has been found in the crystalline state, which results in the approximate coplanarity of the pyridine ring with the benzene ring. The calculated results show that the dihedral angle between the nitro group and pyridine ring from the X3LYP method is much closer to the experimental data than that from the M06-2X one. The existing two conformational isomers of 3-benzyloxy-2-nitropyridine with equal energy explain well the disorder of the nitro group at room temperature. In addition, the vibrational frequencies are also calculated by the X3LYP and M06-2X methods and compared with the experimental results. The prediction from the X3LYP method coincides with the locations of the experimental frequencies well.

Acetylcholinesterase and Butyrylcholinesterase Inhibitory Activities of β-Carboline and Quinoline Alkaloids Derivatives from the Plants of Genus Peganum

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Ting Zhao

2013-01-01

Full Text Available It was reported that the main chemical constituents in plants of genus Peganum were a serial of β-carboline and quinoline alkaloids. These alkaloids were quantitatively assessed for selective inhibitory activities on acetylcholinesterase (AChE and butyrylcholinesterase (BChE by in vitro Ellman method. The results indicated that harmane was the most potent selective AChE inhibitor with an IC50 of 7.11 ± 2.00 μM and AChE selectivity index (SI, IC50 of BChE/IC50 of AChE of 10.82. Vasicine was the most potent BChE inhibitor with feature of dual AChE/BChE inhibitory activity, with an IC50 versus AChE/BChE of 13.68 ± 1.25/2.60 ± 1.47 μM and AChE SI of 0.19. By analyzing and comparing the IC50 and SI of those chemicals, it was indicated that the β-carboline alkaloids displayed more potent AChE inhibition but less BChE inhibition than quinoline alkaloids. The substituent at the C7 position of the β-carboline alkaloids and C3 and C9 positions of quinoline alkaloids played a critical role in AChE or BChE inhibition. The potent inhibition suggested that those alkaloids may be used as candidates for treatment of Alzheimer’s disease. The analysis of the quantitative structure-activity relationship of those compounds investigated might provide guidance for the design and synthesis of AChE and BChE inhibitors.

The sensitivity and selectivity properties of a fluorescence sensor based on quinoline-Bodipy

Energy Technology Data Exchange (ETDEWEB)

Nuri Kursunlu, Ahmed, E-mail: ankursunlu@gmail.com; Guler, Ersin

2014-01-15

A novel florescence sensor (Q-BODIPY) based on quinoline-Bodipy (quinoline-boradiazaindacene) was prepared by ‘click chemistry’ in several stages. The sensing actions of Q-BODIPY were confirmed by UV–vis titration, emission and excitation spectroscopic studies in presence of Mn{sup 2+}, Co{sup 2+}, Ni{sup 2+}, Cu{sup 2+}, Zn{sup 2+}, Cd{sup 2+}, Sn{sup 2+}, Hg{sup 2+}, Pb{sup 2+}, La{sup 3+}, Ga{sup 3+}, Er{sup 3+} and Yb{sup 3+} ions in methanol:H{sub 2}O (1:1) medium. Whereas some metal ions can only cause quenching effect on the fluorescence intensity of Q-BODIPY, some of them show an increase in fluorescence intensity. The stoichiometry of host–guest complexes formed was determined by Job′s plot method. The binding constants were calculated by Stern–Volmer method. As a fluorescence sensor, Q-BODIPY shows the best selectivity performance against Zn{sup 2+} ions in according to all spectroscopic data. -- Highlights: • Q-BODIPY prepared by several techniques shows a fluorescent behavior toward p, d and f block metal ions. • Q-BODIPY has both a more sensitivity and more effective ability for the detection of Zn(II) ion. • The synthesis strategies to produce Bodipy′s with metal coordinating offer a new approach for the design of novel fluorescence sensors.

2,3,8-Trisubstituted Quinolines with Antimalarial Activity.

Science.gov (United States)

Martinez, Pablo D G; Krake, Susann H; Poggi, Maitia L; Campbell, Simon F; Willis, Paul A; Dias, Luiz C

2018-01-01

Combination therapy drugs are considered a fundamental way to control malaria as it mimimizes the risk of emergence of resistance to the individual partner drugs. Consequently, this type of therapy constitutes a driving force for the discovery of new drugs with different modes of action, since this will provide options for combining different drugs to achieve the optimum antimalarial treatment. In this context, a 2,3,8-trisubstitued quinoline compound was found in a high throughput screen (HTS) to show an excellent inhibition of P. falciparum NF54 (IC50 = 22 nM) and low cytotoxicity. We performed a detailed evaluation of the substituents to improve the metabolic stability and solubility liabilities of the original hit and identified derivatives with enhanced physicochemical and/or PK properties and that maintained biological activity. However the high potency was not retained on testing against drug resistant plasmodium strains.

2,3,8-Trisubstituted Quinolines with Antimalarial Activity

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PABLO D.G. MARTINEZ

2018-05-01

Full Text Available ABSTRACT Combination therapy drugs are considered a fundamental way to control malaria as it mimimizes the risk of emergence of resistance to the individual partner drugs. Consequently, this type of therapy constitutes a driving force for the discovery of new drugs with different modes of action, since this will provide options for combining different drugs to achieve the optimum antimalarial treatment. In this context, a 2,3,8-trisubstitued quinoline compound was found in a high throughput screen (HTS to show an excellent inhibition of P. falciparum NF54 (IC50 = 22 nM and low cytotoxicity. We performed a detailed evaluation of the substituents to improve the metabolic stability and solubility liabilities of the original hit and identified derivatives with enhanced physicochemical and/or PK properties and that maintained biological activity. However the high potency was not retained on testing against drug resistant plasmodium strains.

Second-order optical effects in several pyrazolo-quinoline derivatives

International Nuclear Information System (INIS)

Makowska-Janusik, M.; Gondek, E.; Kityk, I.V.; WisIa, J.; Sanetra, J.; Danel, A.

2004-01-01

Using optical poling of several pyazolo-quinoline (PAQ) derivatives we have found an existence of sufficiently high second order optical susceptibility at wavelength 1.76 μm varying in the range 0.9-2.8 pm/V. The performed quantum chemical simulations of the UV-absorption for isolated, solvated and incorporated into the polymethacrylate (PMMA) polymer films have shown that the PM3 method is the best among the semi-empirical ones to simulate the optical properties. The calculations of the hyperpolarizabilites have shown a good correlation with experimentally measured susceptibilities obtained from the optical poling. We have found that experimental susceptibility depends on linear molecular polarizability and photoinducing changes of the molecular dipole moment. It is clearly seen for the PAQ4-PAQ6 molecules possessing halogen atoms with relatively large polarizabilities

Second-order optical effects in several pyrazolo-quinoline derivatives

Energy Technology Data Exchange (ETDEWEB)

Makowska-Janusik, M. [Solid State Department, Institute of Physics, WSP Czestochowa, Al. Armii Krajowej 13/15, Czestochowa PL42201 (Poland); Gondek, E. [Institute of Physics, Cracow University of Technology, ul. Podchorazych 1, 30-084 (Poland); Kityk, I.V. [Department of Biology and Biophysics, Technical University of Czestochowa, Al. Armii Krajowej 36, Czestochowa PL-42210 (Poland)]. E-mail: i.kityk@wsp.czest.pl; WisIa, J. [Departament of Chemistry, Hugon Kollataj Agricultural University, Al. Mickiewicza 24/28, 30-059 Cracow (Poland); Sanetra, J. [Institute of Physics, Cracow University of Technology, ul. Podchorazych 1, 30-084 (Poland); Danel, A. [Department of Chemistry, Hugon Kollataj Agricultural University, Al. Mickiewicza 24/28, 30-059 Cracow (Poland)

2004-11-15

Using optical poling of several pyazolo-quinoline (PAQ) derivatives we have found an existence of sufficiently high second order optical susceptibility at wavelength 1.76 {mu}m varying in the range 0.9-2.8 pm/V. The performed quantum chemical simulations of the UV-absorption for isolated, solvated and incorporated into the polymethacrylate (PMMA) polymer films have shown that the PM3 method is the best among the semi-empirical ones to simulate the optical properties. The calculations of the hyperpolarizabilites have shown a good correlation with experimentally measured susceptibilities obtained from the optical poling. We have found that experimental susceptibility depends on linear molecular polarizability and photoinducing changes of the molecular dipole moment. It is clearly seen for the PAQ4-PAQ6 molecules possessing halogen atoms with relatively large polarizabilities.

Second-order optical effects in several pyrazolo-quinoline derivatives

Science.gov (United States)

Makowska-Janusik, M.; Gondek, E.; Kityk, I. V.; Wisła, J.; Sanetra, J.; Danel, A.

2004-11-01

Using optical poling of several pyazolo-quinoline (PAQ) derivatives we have found an existence of sufficiently high second order optical susceptibility at wavelength 1.76 μm varying in the range 0.9-2.8 pm/V. The performed quantum chemical simulations of the UV-absorption for isolated, solvated and incorporated into the polymethacrylate (PMMA) polymer films have shown that the PM3 method is the best among the semi-empirical ones to simulate the optical properties. The calculations of the hyperpolarizabilites have shown a good correlation with experimentally measured susceptibilities obtained from the optical poling. We have found that experimental susceptibility depends on linear molecular polarizability and photoinducing changes of the molecular dipole moment. It is clearly seen for the PAQ4-PAQ6 molecules possessing halogen atoms with relatively large polarizabilities.

Giant negative magnetoresistance in Ni(quinoline-8-selenoate)2.

Science.gov (United States)

Black, Nicholas; Daiki, Tonouchi; Matsushita, Michio M; Woollins, J Derek; Awaga, Kunio; Robertson, Neil

2017-12-20

The magnetic, structural, conductivity and magnetoresistance properties of [Ni(quinoline-8-selenoate) 2 ] ([Ni(qs) 2 ]) have been studied. Despite the insolubility of the material necessitating its study as a powdered sample, a remarkably high conductivity has been measured. The conductivity is an order of magnitude greater than the thin-film processable thiol analogue previously reported and has been interpreted through the same space-charge limited conduction mechanism with charges injected from the electrodes. The introduction of selenium, results in a material with conductivity approaching metallic due to the enhanced interaction between adjacent molecules. Additionally, under an applied magnetic field, the material displays a negative magnetoresistance effect above 35% at 2 K. The effect can still be observed at 200 K and is interpreted in terms of a double-exchange mechanism.

Influence of organic nitro-compounds and of surface active compounds on the inverse voltametric determination of cadmium, lead and copper

Energy Technology Data Exchange (ETDEWEB)

Wahdat, F; Neeb, R

1983-12-01

The influence of surface active agents and of organic nitro-compounds alone and in combination on the potentiometric stripping analysis and anodic-stripping differential-pulse-polarography of Cd, Pb and Cu is investigated. In some cases PSA offers advantages for the determination of these elements in the presence of organic nitro-compounds in comparison with differential pulse-polarography.

Di-μ-cyanido-tetra-cyanido(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate.

Science.gov (United States)

Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

2013-05-01

The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3](-) anion, half a [Ni(teta)](2+) cation and two partially occupied inter-stitial water mol-ecules [qcq(-) is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne]. In the complex mol-ecule, two [Fe(qcq)(CN)3](-) anions additionally coordinate the central [Ni(teta)](2+) cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni(2+) cation lying on an inversion centre. The two inter-stitial water mol-ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O-H⋯O and O-H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010).

(1R*,2S*-2-Nitro-1-(4-nitrophenylpropanol

Directory of Open Access Journals (Sweden)

Jun-na Zhang

2012-03-01

Full Text Available The title compound, C9H10N2O5, presents a racemic mixture of two enantiomeric diastereomers. In the crystal, molecules assemble into zigzag chains parallel to the b axis [C(6 motif] due to the formation of elongated O—H...O(N hydrogen bonds. Of interest is the fact that only the aliphatic nitro group is involved in hydrogen bonding and it adopts a gauche conformation with respect to the OH group.

Grafting polyethylenimine with quinoline derivatives for targeted imaging of intracellular Zn{sup 2+} and logic gate operations

Energy Technology Data Exchange (ETDEWEB)

Pan, Yi; Shi, Yupeng; Chen, Junying; Wong, Chap-Mo; Zhang, Heng [Key Laboratory of Sensing Technology and Biomedical Instruments (Guangdong Province), School of Engineering, Sun Yat-Sen University, Guangzhou (China); Li, Mei-Jin [Key Laboratory of Analysis and Detection Technology for Food Safety, Ministry of Education and Fujian Province, Department of Chemistry, Fuzhou University, Fuzhou (China); Li, Cheuk-Wing [Institute of Chinese Medical Sciences, University of Macau (China); Yi, Changqing, E-mail: yichq@mail.sysu.edu.cn [Key Laboratory of Sensing Technology and Biomedical Instruments (Guangdong Province), School of Engineering, Sun Yat-Sen University, Guangzhou (China); Research Institute of Sun Yat-Sen University in Shenzhen, Shenzhen (China)

2016-12-01

In this study, a highly sensitive and selective fluorescent Zn{sup 2+} probe which exhibited excellent biocompatibility, water solubility, and cell-membrane permeability, was facilely synthesized in a single step by grafting polyethyleneimine (PEI) with quinoline derivatives. The primary amino groups in the branched PEI can increase water solubility and cell permeability of the probe PEIQ, while quinoline derivatives can specifically recognize Zn{sup 2+} and reduce the potential cytotoxicity of PEI. Basing on fluorescence off-on mechanism, PEIQ demonstrated excellent sensing capability towards Zn{sup 2+} in absolute aqueous solution, where a high sensitivity with a detection limit as low as 38.1 nM, and a high selectivity over competing metal ions and potential interfering amino acids, were achieved. Inspired by these results, elementary logic operations (YES, NOT and INHIBIT) have been constructed by employing PEIQ as the gate while Zn{sup 2+} and EDTA as chemical inputs. Together with the low cytotoxicity and good cell-permeability, the practical application of PEIQ in living cell imaging was satisfactorily demonstrated, emphasizing its wide application in fundamental biology research. - Graphical abstract: The fluorescent Zn{sup 2+} probe, PEIQ, is facilely synthesized by grafting PEI with 8-CAAQ, and demonstrated for the pratical applications in Zn{sup 2+} imaging and implementation of molecular logic operations within biological cells. - Highlights: • PEIQ, fluorescent Zn{sup 2+} probe, is synthesized by grafting PEI with quinoline derivatives. • PEIQ exhibits high sensitivity and selectivity in absolute aqueous solution. • PEIQ is biocompatible, water soluble, and cell-membrane permeable. • Elementary logic operations have been demonstrated for PEIQ/Zn{sup 2+}/EDTA system. • The practical application of PEIQ in living cell imaging is demonstrated.

Electrochemical Reduction and Intramolecular Electron Communication of Nitro Substituted Thiacalix[4]arenes

Czech Academy of Sciences Publication Activity Database

Liška, Alan; Lhoták, P.; Ludvík, Jiří

2016-01-01

Roč. 28, č. 11 (2016), s. 2861-2865 ISSN 1040-0397 R&D Projects: GA ČR GA13-21704S Institutional support: RVO:61388955 Keywords : 1,3-alt-thiacalix[4]arenes * nitro substituents * polarography Subject RIV: CG - Electrochemistry Impact factor: 2.851, year: 2016

Uridine monophosphate synthetase enables eukaryotic de novo NAD+ biosynthesis from quinolinic acid.

Science.gov (United States)

McReynolds, Melanie R; Wang, Wenqing; Holleran, Lauren M; Hanna-Rose, Wendy

2017-07-07

NAD + biosynthesis is an attractive and promising therapeutic target for influencing health span and obesity-related phenotypes as well as tumor growth. Full and effective use of this target for therapeutic benefit requires a complete understanding of NAD + biosynthetic pathways. Here, we report a previously unrecognized role for a conserved phosphoribosyltransferase in NAD + biosynthesis. Because a required quinolinic acid phosphoribosyltransferase (QPRTase) is not encoded in its genome, Caenorhabditis elegans are reported to lack a de novo NAD + biosynthetic pathway. However, all the genes of the kynurenine pathway required for quinolinic acid (QA) production from tryptophan are present. Thus, we investigated the presence of de novo NAD + biosynthesis in this organism. By combining isotope-tracing and genetic experiments, we have demonstrated the presence of an intact de novo biosynthesis pathway for NAD + from tryptophan via QA, highlighting the functional conservation of this important biosynthetic activity. Supplementation with kynurenine pathway intermediates also boosted NAD + levels and partially reversed NAD + -dependent phenotypes caused by mutation of pnc-1 , which encodes a nicotinamidase required for NAD + salvage biosynthesis, demonstrating contribution of de novo synthesis to NAD + homeostasis. By investigating candidate phosphoribosyltransferase genes in the genome, we determined that the conserved uridine monophosphate phosphoribosyltransferase (UMPS), which acts in pyrimidine biosynthesis, is required for NAD + biosynthesis in place of the missing QPRTase. We suggest that similar underground metabolic activity of UMPS may function in other organisms. This mechanism for NAD + biosynthesis creates novel possibilities for manipulating NAD + biosynthetic pathways, which is key for the future of therapeutics. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

1,4-Dihexyloxy-2,5-bis(2-nitrophenylbenzene

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Norma Wrobel

2012-04-01

Full Text Available The title compound, C30H36N2O6, was prepared via twofold Suzuki coupling of a diboronic acid with bromonitrobenzene. The molecule is located on a crystallographic inversion centre. The lateral benzene ring and the central ring make a dihedral angle of 48.75 (14° and the nitro group is twisted by 41.47 (13° out of the plane of the benzene ring. The nitro and hexyloxy groups are in close proximity and the hexyloxy chain adopts an all-anti conformation.

Pharmacological effects of a synthetic quinoline, a hybrid of tomoxiprole and naproxen, against acute pain and inflammation in mice: a behavioral and docking study

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Hossein Hosseinzadeh

2017-04-01

Full Text Available Objective(s: In the present study, we investigated the potential anti-nociceptive activity and acute anti-inflammatory effect of a synthetic quinoline compound (2-(4-Methoxyphenylbenzo[h]quinoline-4-carboxylic acid, QC, possessing structural elements of both naproxen and tomoxiprole drugs. Materials and Methods: The anti-nociceptive activity of QC was evaluated using chemical- and thermal-induced nociception models and its acute anti-inflammatory effect was evaluated by xylene-induced ear edema test in mice. Results: QC displayed a dose dependent effect in both acute anti-nociceptive tests (writhing and hot plate. This compound at dose of 6.562 mg/kg showed a high anti-nociceptive effect near equal to  diclofenac 5 mg/kg. It also showed high anti-inflammatory effects (less than 6.562 mg/kg comparable to those of reference drugs diclofenac (5 mg/kg and celecoxib (100 mg/kg. Docking study showed that this quinoline derivative could inhibit COX-2 enzyme strongly. Conclusion: QC showed high anti-nociceptive and anti-inflammatory effects comparable to reference drugs and can exert its anti-nociceptive and anti-inflammatory activities through COX-2 inhibition.

Structural features of nitroaromatics that determine mutagenic activity in Salmonella typhimurium

International Nuclear Information System (INIS)

Vance, W.A.; Levin, D.E.

1984-01-01

Seventeen structurally homologous nitroaromatics were tested for direct-acting mutagenic potency in nine strains of Salmonella typhimurium. The following four structural features were determined to have a strong influence on mutagenic activity: physical dimensions of the aromatic rings, isomeric position of the nitro group, conformation of the nitro group with respect to the plane of the aromatic rings, and ability to resonance-stabilize the utimate electrophile. Progressive addition of five- and six-membered rings to a nitrobenzene nucleus demonstrated that mutagenic activity was a direct function of size. Nitroaromatics with a nitro group oriented along the long axis of symmetry of the molecule were more potent mutagens that those with the nitro group oriented along the short axis. These results are discussed in light of the insertion-denaturation model for intercalation of certain DNA adducts. Finally, structural features that contribute to resonance stabilization of the reactive nitrenium ion enhance mutagenic potency. The predictive value of these structure-activity relationships should permit a first approximation in the assessment of mutagenic potency of nitroaromatics

Crystal structure of 4-aminopyridinium 5-(5-chloro-2,4-dinitrophenyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate hemihydrate

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Manickkam Vaduganathan

2014-10-01

Full Text Available The title molecular salt, C5H7N2+·C12H8ClN4O7−·0.5H2O, crystallizes as a hemihydrate. The two rings in the barbiturate anion are not coplanar but make a dihedral angle of 43.17 (16°. The two nitro groups deviate from the ring to which they are attached; the nitro group ortho with respect to the ring junction is more deviated [39.3 (4°] than that in the para position [4.2 (5°], probably to overcome steric hindrance. As a result of this, the latter nitro group is more involved in delocalizing the negative charge of the anion than the former nitro group. In the crystal, the cations and anions are linked via N—H...O hydrogen bonds forming zigzag chains along [10-1]. The chains are linked by O—H...O and C—H...O hydrogen bonds, forming slabs lying parallel to (10-1. Further C—H...O hydrogen bonds link the slabs, forming a three-dimensional structure.

Infrared, Raman and density functional characterization and structural study of 2-Nitro-2-phenyl-propane-1,3-diol

Science.gov (United States)

Kaya, Mehmet Fatih; Bağlayan, Özge; Kaya, Esma Güneş; Alver, Özgür

2017-12-01

Nitro compound and nitro derivatives are industrially important to produce rubber and agricultural chemicals. In this study, one of the promising derivatives of nitro compound 2-Nitro-2-phenyl-propane-1,3-diol (2NPP) is examined in detail. FT-Infrared and dispersive Raman spectra of 2NPP (C9H11NO4) were respectively recorded in 4000-10 cm-1 and 4000-100 cm-1. The bond distances and angles, conformational distributions, vibrational frequencies and the assignment of each mode, some thermodynamic parameters and reactivity descriptors: total energy, hardness, chemical potential, electrophilicity index, electronegativity, frontier orbitals energy gap of 2NPP were investigated by using DFT/B3LYP method with 6-31++G (d,p) basis set. In order to locate the global minimum on the potential energy surface of 2NPP, a beforehand conformational examinations were carried out using Spartan 10 along with semi-emprical PM6 method. The results of conformational analyses showed that there are five possible conformations having energies under 2 kcal/mol. Comparison of the theoretical and experimental results clearly indicates that density functional hybrid B3LYP/6-31++G (d,p) level of theory can be used to predict vibrational frequencies and structural parameters of 2NPP. Further, C1 geometry is considered to be the global minimum conformation of 2NPP.

Genetic relationship of organic bases of the quinoline and isoquinoline series from lignite semicoking tars with the initial biological material

Energy Technology Data Exchange (ETDEWEB)

Platonov, V.V.; Proskuryakov, V.A.; Podshibyakin, S.I.; Domogatskii, V.V.; Shvykin, A.Y.; Shavyrina, O.A.; Chilachava, K.B. [Leo Tolstoy State Pedagog University, Tula (Russian Federation)

2002-07-01

The genetic relationship of quinoline and isoquinoline compounds present in semicoking tars of Kimovsk lignites (near-Moscow fields) with the initial vegetable material is discussed. Transformation pathways of the native compounds in the course of lignite formation are suggested.

Electronic structure and magnetism in transition metals doped 8-hydroxy-quinoline aluminum.

Science.gov (United States)

Baik, Jeong Min; Shon, Yoon; Lee, Seung Joo; Jeong, Yoon Hee; Kang, Tae Won; Lee, Jong-Lam

2008-10-15

We report the room-temperature ferromagnetism in transition metals (Co, Ni)-doped 8-hydroxy-quinoline aluminum (Alq3) by thermal coevaporation of high purity metal and Alq3 powders. For 5% Co-doped Alq3, a maximum magnetization of approximately 0.33 microB/Co at 10 K was obtained and ferromagnetic behavior was observed up to 300 K. The Co atoms interact chemically with O atoms and provide electrons to Alq3, forming new states acting as electron trap sites. From this, it is suggested that ferromagnetism may be associated with the strong chemical interaction of Co atoms and Alq3 molecules.

Recommendations and Requirements for GenCade Simluations

Science.gov (United States)

2014-08-01

will report whether or not GenCade is enabled. If GenCade is disabled , the user will need a new license that includes GenCade...any depth but usually are not deeper than the seaward edge of the surf - zone. In the same way that some shorelines are less desirable for use in...Conference, 1919–1937. ASCE. Wang, P., N. C. Kraus, and R. A. Davis. 1998. Total rate of longshore sediment transport in the surf zone: Field

Synthesis and Structure-Activity Relationships of Novel Amino/Nitro Substituted 3-Arylcoumarins as Antibacterial Agents

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Ysabel Santos

2013-01-01

Full Text Available A new series of amino/nitro-substituted 3-arylcoumarins were synthesized and their antibacterial activity against clinical isolates of Staphylococcus aureus (Gram-positive and Escherichia coli (Gram-negative was evaluated. Some of these molecules exhibited antibacterial activity against S. aureus comparable to the standards used (oxolinic acid and ampicillin. The preliminary structure-activity relationship (SAR study showed that the antibacterial activity against S. aureus depends on the position of the 3-arylcoumarin substitution pattern. With the aim of finding the structural features for the antibacterial activity and selectivity, in the present manuscript different positions of nitro, methyl, methoxy, amino and bromo substituents on the 3-arylcoumarin scaffold were reported.

Essential role of Bordetella NadC in a quinolinate salvage pathway for NAD biosynthesis.

Science.gov (United States)

Brickman, Timothy J; Suhadolc, Ryan J; McKelvey, Pamela J; Armstrong, Sandra K

2017-02-01

Nicotinamide adenine dinucleotide (NAD) is produced via de novo biosynthesis pathways and by salvage or recycling routes. The classical Bordetella bacterial species are known to be auxotrophic for nicotinamide or nicotinic acid. This study confirmed that Bordetella bronchiseptica, Bordetella pertussis and Bordetella parapertussis have the recycling/salvage pathway genes pncA and pncB, for use of nicotinamide or nicotinic acid, respectively, for NAD synthesis. Although these Bordetellae lack the nadA and nadB genes needed for de novo NAD biosynthesis, remarkably, they have one de novo pathway gene, nadC, encoding quinolinate phosphoribosyltransferase. Genomic analyses of taxonomically related Bordetella and Achromobacter species also indicated the presence of an 'orphan' nadC and the absence of nadA and nadB. When supplied as the sole NAD precursor, quinolinate promoted B. bronchiseptica growth, and the ability to use it required nadC. Co-expression of Bordetella nadC with the nadB and nadA genes of Paraburkholderia phytofirmans allowed B. bronchiseptica to grow in the absence of supplied pyridines, indicative of de novo NAD synthesis and functional confirmation of Bordetella NadC activity. Expression of nadC in B. bronchiseptica was influenced by nicotinic acid and by a NadQ family transcriptional repressor, indicating that these organisms prioritize their use of pyridines for NAD biosynthesis. © 2016 John Wiley & Sons Ltd.

Rapid and Green Analytical Method for the Determination of Quinoline Alkaloids from Cinchona succirubra Based on Microwave-Integrated Extraction and Leaching (MIEL Prior to High Performance Liquid Chromatography

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Farid Chemat

2011-11-01

Full Text Available Quinas contains several compounds, such as quinoline alkaloids, principally quinine, quinidine, cinchonine and cichonidine. Identified from barks of Cinchona, quinine is still commonly used to treat human malaria. Microwave-Integrated Extraction and Leaching (MIEL is proposed for the extraction of quinoline alkaloids from bark of Cinchona succirubra. The process is performed in four steps, which ensures complete, rapid and accurate extraction of the samples. Optimal conditions for extraction were obtained using a response surface methodology reached from a central composite design. The MIEL extraction has been compared with a conventional technique soxhlet extraction. The extracts of quinoline alkaloids from C. succirubra obtained by these two different methods were compared by HPLC. The extracts obtained by MIEL in 32 min were quantitatively (yield and qualitatively (quinine, quinidine, cinchonine, cinchonidine similar to those obtained by conventional Soxhlet extraction in 3 hours. MIEL is a green technology that serves as a good alternative for the extraction of Cinchona alkaloids.

Rapid and green analytical method for the determination of quinoline alkaloids from Cinchona succirubra based on Microwave-Integrated Extraction and Leaching (MIEL) prior to high performance liquid chromatography.

Science.gov (United States)

Fabiano-Tixier, Anne-Sylvie; Elomri, Abdelhakim; Blanckaert, Axelle; Seguin, Elisabeth; Petitcolas, Emmanuel; Chemat, Farid

2011-01-01

Quinas contains several compounds, such as quinoline alkaloids, principally quinine, quinidine, cinchonine and cichonidine. Identified from barks of Cinchona, quinine is still commonly used to treat human malaria. Microwave-Integrated Extraction and Leaching (MIEL) is proposed for the extraction of quinoline alkaloids from bark of Cinchona succirubra. The process is performed in four steps, which ensures complete, rapid and accurate extraction of the samples. Optimal conditions for extraction were obtained using a response surface methodology reached from a central composite design. The MIEL extraction has been compared with a conventional technique soxhlet extraction. The extracts of quinoline alkaloids from C. succirubra obtained by these two different methods were compared by HPLC. The extracts obtained by MIEL in 32 min were quantitatively (yield) and qualitatively (quinine, quinidine, cinchonine, cinchonidine) similar to those obtained by conventional Soxhlet extraction in 3 hours. MIEL is a green technology that serves as a good alternative for the extraction of Cinchona alkaloids.

Computer prediction of biological activity of 2-methyl(phenyl-6,9-epoksybenzo[g]quinoline-4,5,10-Trion and 5-methyl-(1,2,4-triazolo[4,3-a] quinoline

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Yu. V. Karpenko

2015-04-01

Full Text Available , One of the priority measures, which are evaluated in the creation of new effective medicines, is their high selective effect and lack of side effects. A considerable interest is the possibility of combining several structures of heterocycles in one molecule, such as quinoline and furan, which may cause an increase in biological activity of these combined compounds or an emergence of new properties. It is known that derivatives of 1,2,4-triazolo[4,3-a]quinoline have anticonvulsant effect and treat the syndrome of disorders with the nervous system. The aim of research. The main purpose of this work was an establishment of combinatorial library of bioregulators, which combines structures 5,8-dioksoquinoline and furan (1-8, quinoline and triazole (9-12, using computer program PASS (Prediction Activitity Spectra for Substances. Virtual screening of heterocycles derivatives was conducted to determine the direction of their bioactivity researches. Materials and methods. The virtual screening of compounds was performed by using the computer program PASS (Prediction Activity Spectra for Substances. For the specific activity the increase of Pa quantity and the decrease of the Pi quantity, helps to get the greater chance to detect this activity in the experiment. Predicting the probability of substance manifestation of specific types of biological activity determines which tests are the most appropriate for studying the biological activity of specific chemical substances and which substances of those that are available to the researcher likely will show the desired effect. With theoretical prediction the most likely basic structures of new compounds with desired biological effect, which best suits the task will be selected. Results. Analysis of computer prediction demonstrates the promising search of antineoplastic, antibiotic, analgesic and other types of activity in some of these compounds. An important instant of prediction of these substances is

Unleashing Gen Y: Marketing Mars to Millennials

Science.gov (United States)

Leahy, Bart D.; Hidalgo, Loretta; Kloberdanz, Cassie

2007-01-01

Space advocates need to engage Generation Y (born 1977-1999).This outreach is necessary to recruit the next generation of scientists and engineers to explore Mars. Space advocates in the non-profit, private, and government sectors need to use a combination of technical communication, marketing, and politics, to develop messages that resonate with Gen Y. Until now, space messages have been generated by and for college-educated white males; Gen Y is much more diverse, including as much as one third minorities. Young women, too, need to be reached. My research has shown that messages emphasizing technology, fun, humor, and opportunity are the best means of reaching the Gen Y audience of 60 million (US population is 300 million). The important things space advocates must avoid are talking down to this generation, making false promises, or expecting them to "wait their turn" before they can participate. This is the MTV generation! We need to find ways of engaging Gen Y now to build a future where human beings can live and work on the planet Mars. In addition to the messages themselves, advocates need to keep up with Gen Y' s social networking and use of iPods, cell phones, and the Internet. NASA and space advocacy groups can use these tools for "viral marketing," where young people share targeted space-related information via cell phones or the Internet because they like it. Overall, Gen Y is a socially dynamic and media-savvy group; advocates' space messages need to be sincere, creative, and placed in locations where Gen Y lives. Mars messages must be memorable!

Crystal structure of bis(3-bromomesityl(quinolin-1-ium-8-ylboron(III tribromide

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Jungho Son

2015-09-01

Full Text Available The title compound, C27H26.82BBr2.18N+·Br3−, is a cationic triarylborane isolated as its tribromide salt. The aryl substituents include a protonated 8-quinolyl group and two 3-bromomesityl groups. The molecule was prepared on combination of 3:1 Br2 and dimesityl(quinolin-8-ylborane in hexanes. The refinement of the structure indicated a degree of `over-bromination' (beyond two bromine atoms for the cation. There are two tribromide ions in the asymmetric unit, both completed by crystallographic inversion symmetry.

Formation of nitro-PAHs from the heterogeneous reaction of ambient particle-bound PAHs with NO3/N2O5

Science.gov (United States)

Zimmermann, K.; Jariyasopit, N.; Simonich, S. L.; Atkinson, R.; Arey, J.

2012-12-01

Polycyclic aromatic hydrocarbons (PAHs) and their nitrated derivatives (nitro-PAHs) have been shown to be mutagenic in bacterial and mammalian assays and are classified as probable human carcinogens. Semi-volatile PAHs partition between the gas and particulate phases, depending on their liquid-phase vapor pressures and ambient temperatures. These PAHs have been extensively measured in ambient particulate matter and can ultimately undergo long-range transport from source regions (e.g., China to the western USA) (1). During transport these particle-bound PAHs may undergo reaction with NO3/N2O5 to form nitro-PAH derivatives. Previous studies of heterogeneous nitration of PAHs have used particles composed of graphite, diesel soot, and wood smoke (2-4). This study investigates the heterogeneous formation of nitro-PAHs from ambient particle-bound PAHs from Beijing, China and sites located within the Los Angeles air basin. These ambient particle samples, along with filters coated with isotopically labeled PAHs, were exposed to a mix of NO2/NO3/N2O5 in a 7000 L Teflon chamber, with analysis focused on the heterogeneous formation of molecular weight 247 and 273 nitro-PAHs. The heterogeneous formation of certain nitro-PAHs (including1-nitropyrene and 1- and 2-nitrotriphenylene) was observed for some, but not all, ambient samples. Formation of nitro-PAHs typically formed through gas-phase reactions (2-nitrofluoranthene and 2-nitropyrene) was not observed. The effect of particle age and local photochemical conditions during sampling on the degree of nitration in environmental chamber reactions, as well as ambient implications, will be presented. 1. Primbs, T.; Simonich, S.; Schmedding, D.; Wilson, G.; Jaffe, D.; Takami, A.; Kato, S.; Hatakeyama, S.; Kajii, Y. Environ. Sci. Technol. 2007, 41, 3551-3558. 2. Esteve, W.; Budzinski, H.; Villenave, E. Atmospheric Environment 2004, 38, 6063-6072. 3. Nguyen, M.; Bedjanian, Y.; Guilloteau, A. Journal of Atmospheric Chemistry 2009, 62

Progesterone up-regulates vasodilator effects of calcitonin gene-related peptide in N(G)-nitro-L-arginine methyl ester-induced hypertension.

Science.gov (United States)

Gangula, P R; Wimalawansa, S J; Yallampalli, C

1997-04-01

We recently reported that calcitonin gene-related peptide can reverse the hypertension produced by N(G)-nitro-L-arginine methyl ester in pregnant rats. In the current study we investigated whether these vasodilator effects of calcitonin gene-related peptide were progesterone dependent. Calcitonin gene-related peptide or N(G)-nitro-L-arginine methyl ester was infused through osmotic minipumps, either separately or in combination, to groups of five pregnant rats from day 17 of gestation until day 8 post partum or to nonpregnant ovariectomized rats for 8 days. Progesterone was injected during days 1 to 6 post partum and for 6 days after ovariectomy. Systolic blood pressure was measured daily. Animals receiving N(G)-nitro-L-arginine methyl ester exhibited significant elevations of blood pressure during pregnancy and post partum. Coadministration of calcitonin gene-related peptide to these rats reversed the hypertension during pregnancy but not during the postpartum period. At the dose used in this study calcitonin gene-related peptide administered alone was without significant effects on blood pressure. However, it reduced both the mortality and growth restriction of the fetus associated with N(G)-nitro-L-arginine methyl ester in these animals. Calcitonin gene-related peptide reversed the hypertension in N(G)-nitro-L-arginine methyl ester-infused postpartum rats during the periods of progesterone treatment only, and these effects were lost when progesterone treatment was stopped. Neither progesterone nor calcitonin gene-related peptide alone were effective. To further confirm these observations, progesterone effects were tested in ovariectomized adult rats. Similar to the findings in postpartum rats, calcitonin gene-related peptide completely reversed the elevation in blood pressure in N(G)-nitro-L-arginine methyl ester-treated rats receiving progesterone injections. The effects of calcitonin gene-related peptide were apparent only during the progesterone treatment

Modelo poblacional con algoritmos genéticos

OpenAIRE

Veliz Quintero, Eduardo; Rodriguez Ojeda, Luis

2009-01-01

Para el desarrollo de este trabajo, “MODELO POBLACIONAL CON ALGORITMOS GENÉTICOS”, he investigado la rama de la inteligencia artificial, como son los algoritmos genéticos. Primero presento en forma general los aspectos que envuelven los algoritmos genéticos, parto de la necesidad de optimizar, así como su historia y posibles aplicaciones y luego he cubierto detalladamente todo lo que pude investigar sobre la teoría de los algoritmos genéticos, sus fundamentos matemáticos, tipos de algoritmos ...

Factors Influencing Retention of Gen Y and Non-Gen Y Teachers Working at International Schools in Asia

Science.gov (United States)

Fong, Hoi Wah Benny

2018-01-01

Quantitative studies on international-school teacher retention are few, especially studies that differentiate between Gen Y and non-Gen Y teachers. This article reports on the findings of a study that examined the relationship of job satisfaction factors to the likelihood of contract renewal by international-school teachers. Results from the study…

Antiparasitic nitroimidazoles. 8. Derivatives of 2-(4-formylstyryl)-5-nitro-1-vinylimidazole.

Science.gov (United States)

Ross, W J; Jamieson, W B

1975-02-01

A series of 33 thioacetals and hydrazones of 2-(4-formylstyryl)-5-nitro-1-vinylimidazole was prepared and examined for antitrypanosomal properties. The thioacetals were inactive as antitrypanosomal agents but three hydrazones derived from N-aminoguanidine, pyridylacethohydrazide chloride (Girard reagent P), and dimethylaminoacetohydrazide (Girard reagent D) displayed good activity against Trypanosoma rhodesiense.

Nitro-oleic acid inhibits vascular endothelial inflammatory responses and the endothelial-mesenchymal transition

Czech Academy of Sciences Publication Activity Database

Ambrožová, Gabriela; Fidlerová, Táňa; Vereščáková, Hana; Koudelka, Adolf; Rudolph, T.K.; Woodcock, S.R.; Freeman, B.A.; Kubala, Lukáš; Pekarová, Michaela

2016-01-01

Roč. 1860, č. 11 (2016), s. 2428-2437 ISSN 0304-4165 R&D Projects: GA ČR(CZ) GP13-40824P Institutional support: RVO:68081707 Keywords : Nitro-oleic acid * Endothelial cells * Macrophages Subject RIV: BO - Biophysics Impact factor: 4.702, year: 2016

Differences in anti-malarial activity of 4-aminoalcohol quinoline enantiomers and investigation of the presumed underlying mechanism of action

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Mullié Catherine

2012-03-01

Full Text Available Abstract Background A better anti-malarial efficiency and lower neurotoxicity have been reported for mefloquine (MQ (+- enantiomer. However, the importance of stereoselectivity remains poorly understood as the anti-malarial activity of pure enantiomer MQ analogues has never been described. Building on these observations, a series of enantiopure 4-aminoalcohol quinoline derivatives has previously been synthesized to optimize the efficiency and reduce possible adverse effects. Their in vitro activity on Plasmodium falciparum W2 and 3D7 strains is reported here along with their inhibition of β-haematin formation and peroxidative degradation of haemin, two possible mechanisms of action of anti-malarial drugs. Results The (S-enantiomers of this series of 4-aminoalcohol quinoline derivatives were found to be at least as effective as both chloroquine (CQ and MQ. The derivative with a 5-carbon side-chain length was the more efficient on both P. falciparum strains. (R -enantiomers displayed an activity decreased by 2 to 15-fold as compared to their (S counterparts. The inhibition of β-haematin formation was significantly stronger with all tested compounds than with MQ, irrespective of the stereochemistry. Similarly, the inhibition of haemin peroxidation was significantly higher for both (S and (R-enantiomers of derivatives with a side-chain length of five or six carbons than for MQ and CQ. Conclusions The prominence of stereochemistry in the anti-malarial activity of 4-aminoalcohol quinoline derivatives is confirmed. The inhibition of β-haematin formation and haemin peroxidation can be put forward as presumed mechanisms of action but do not account for the stereoselectivity of action witnessed in vitro.

Melatonin membrane receptor (MT1R) expression and nitro-oxidative stress in testis of golden hamster, Mesocricetus auratus: An age-dependent study.

Science.gov (United States)

Mukherjee, Arun; Haldar, Chandana

2015-09-01

Age-dependent decline in melatonin level induces nitro-oxidative stress that compromises physiological homeostasis including reproduction. However, less information exist regarding the age-dependent variation in local melatonin (lMel) concentration and MT1R expression in testis and its interaction with testicular steroidogenesis and nitro-oxidative stress in golden hamster, Mesocricetus auratus. Therefore, we evaluated lMel level along with MT1R expression and its possible interaction with steroidogenesis and nitro-oxidative stress in testes of young (6weeks), adult (15weeks) and old (2years) aged hamsters. Further, we injected the old hamsters with melatonin to address whether age-related decline in lMel and MT1R is responsible for the reduction in testicular steroidogenesis and antioxidant status. Increased expression of steroidogenic markers suggests increased testicular steroidogenesis in adult hamsters that declined in old hamsters. An age-dependent elevation in the level of NOX, TBARS, corticosterone and the expression of iNOS and GR with a concomitant decrease in enzyme activities for SOD, CAT, GSH-PX indicate increased nitro-oxidative stress in testes. Data suggest that reproductive senescence in male hamsters might be a consequence of declined lMel concentration with MT1R expression inducing nitro-oxidative stress resulting in diminished testicular steroidogenesis. However, administration of Mel in old-aged hamsters significantly increased steroidogenesis and antioxidant status without a significant variation in lMel concentration and MT1R expression in testes. Therefore, decreased lMel and MT1R might not be the causative factor underlying the age-associated decrease in antioxidant defence and steroidogenesis in testes. In conclusion, Mel induced amelioration of testicular oxidative insult and elevation of steroidogenic activity suggests a potential role of increased nitro-oxidative stress underlying the age-dependent decrease in steroidogenesis. Copyright

Metode Transfer Asam Nukleat sebagai Dasar Terapi Gen

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Novi Silvia Hardiany

2017-01-01

Full Text Available Kemajuan ilmu biologi molekuler memberikan manfaat dalam bidang kedokteran untuk mengembangkanterapi gen. Tujuan terapi gen adalah untuk memperbaiki kerusakan gen atau mengganti gen yang rusakdengan gen yang normal. Pemindahan gen dilakukan dengan teknik transfeksi. Transfeksi merupakanproses pemindahan asam nukleat baik menggunakan vektor virus (transduksi atau menggunakan metodenonviral yaitu zat kimia, lipid dan metode fisik. Vektor virus yang digunakan pada transduksi adalahretrovirus, adenovirus, adeno-associated virus (AAV dan herpes simplex virus (HSV. Keberhasilantransfeksi ditentukan oleh berbagai faktor yang dapat dapat dinilai dengan menggunakan reporter sepertigreen fluorescence protein (GFP. Kata Kunci: terapi gen, transfeksi non viral, transduksi, vektor virus   Methods of Nucleic Acid Transfer as Basic Gene Therapy Abstract The advancement of molecular biology provides benefit in the field of medicine to develop genetherapy. The aim of gene therapy is to repair the genetic damage or to replace damaged gene with thenormal gene. Delivery of gene is carried out by transfection technique, a technique to transfer nucleic acidinto eukaryote cells either using viral vectors (known as transduction, and also using non viral methodsuch as chemical substance, lipid and physical method. Some of the viral vectors used in the transductionare retrovirus, adenovirus, Adeno-associated virus (AAV and Herpes Simplex Virus (HSV. The success oftransfection is determined by various factors which can be assessed using several reporters such as GreenFluorescence Protein (GFP. Key words: gene therapy, non viral transfection, transduction, viral vector. Normal 0 false false false IN X-NONE X-NONE

Determination of the Temperature Dependence of Heat Capacity for Some Molecular Crystals of Nitro Compounds

Science.gov (United States)

Kovalev, Yu. M.; Kuropatenko, V. F.

2018-05-01

An analysis of the existing approximations used for describing the dependence of heat capacity at a constant volume on the temperature of a molecular crystal has been carried out. It is shown that the considered Debye and Einstein approximations do not enable one to adequately describe the dependence of heat capacity at a constant volume on the temperature of the molecular crystals of nitro compounds. This inference requires the development of special approximations that would describe both low-frequency and high-frequency parts of the vibrational spectra of molecular crystals. This work presents a universal dependence allowing one to describe the dependence of heat capacity at a constant volume on temperature for a number of molecular crystals of nitro compounds.

Electrochemical Synthesis of Nitro-Chitosan and Its Performance in Chromium Removal

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Scott M. McLennan

2013-07-01

Full Text Available A synthesized polymeric form of chitosan, electrochemically precipitated and photochemically modified, has been found to have significant value in removal of toxic chromate oxyanions from solution. Fourier Transform Infra-Red (FTIR, Raman and X-ray photoelectron spectroscopy (XPS indicated that a significant percentage of the amine functional groups were oxidized to nitro groups as a result of reactions with hydroxyl ions formed in the electrochemical process with additional oxidation occurring as a result of exposure to ultra-violet light. The adsorption capacity of the modified chitosan for chromate was investigated in a batch system by taking into account effects of initial concentration, pH of the solution and contact time. Nitro-chitosan showed greater adsorption capacity towards Cr (VI than other forms of chitosan, with a maximum adsorption of 173 mg/g. It was found that pH 3 is the optimum for adsorption, a Langmuir model is the best fit for the adsorption isotherm, and the kinetics of reaction followed a pseudo second order function. Overall, our results indicate that electrochemical modification of chitosan is an effective method to enhance the reactivity of chitosan towards metals.

Metabolic pathways of quinoline, indole and their methylated analogs by Desulfobacterium indolicum (DSM 3383)

DEFF Research Database (Denmark)

Johansen, S.S.; Licht, D.; Arvin, E.

1997-01-01

The transformation of quinoline, isoquinoline and 3-, 4-, 6- and 8-methylquinoline by Desulfobacterium indolicum was compared with that of the N-containing analogues indole and 1-, 2-, 3- and 7-methylindole. The metabolites were identified using high-performance liquid chromatography with UV dete...... inhibited. An incomplete transformation of some methylated compounds was observed, e.g. for 3- and 6-methylquinoline and 3- and 7-methylindole, with residual concentrations of 0.5-4 mg/l in relation to initial concentrations of 10-15 mg/l....

Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles

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Pavol Jakubec

2012-04-01

Full Text Available A versatile nitro-Mannich/lactamisation cascade for the direct stereoselective synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles has been developed. A highly enantioenriched substituted 5-nitropiperidin-2-one was synthesised in a four component one-pot reaction combining an enantioselective organocatalytic Michael addition with the diastereoselective nitro-Mannich/lactamisation cascade. Protodenitration and chemoselective reductive manipulation of the heterocycles was used to install contiguous and fully substituted stereocentres in the synthesis of substituted piperidines.

Deconstructing Quinoline-Class Antimalarials to Identify Fundamental Physicochemical Properties of Beta-Hematin Crystal Growth Inhibitors.

Science.gov (United States)

Olafson, Katy N; Nguyen, Tam Q; Vekilov, Peter G; Rimer, Jeffrey D

2017-10-04

A versatile approach to control crystallization involves the use of modifiers, which are additives that interact with crystal surfaces and alter their growth rates. Elucidating a modifier's binding specificity to anisotropic crystal surfaces is a ubiquitous challenge that is critical to their design. In this study, we select hematin, a byproduct of malaria parasites, as a model system to examine the complementarity of modifiers (i.e., antimalarial drugs) to β-hematin crystal surfaces. We divide two antimalarials, chloroquine and amodiaquine, into segments consisting of a quinoline base, common to both drugs, and side chains that differentiate their modes of action. Using a combination of scanning probe microscopy, bulk crystallization, and analytical techniques, we show that the base and side chain work synergistically to reduce the rate of hematin crystallization. In contrast to general observations that modifiers retain their function upon segmentation, we show that the constituents do not act as modifiers. A systematic study of quinoline isomers and analogues shows how subtle rearrangement and removal of functional moieties can create effective constituents from previously ineffective modifiers, along with tuning their inhibitory modes of action. These findings highlight the importance of specific functional moieties in drug compounds, leading to an improved understanding of modifier-crystal interactions that could prove to be applicable to the design of new antimalarials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

NitroScape: A model to integrate nitrogen transfers and transformations in rural landscapes

Energy Technology Data Exchange (ETDEWEB)

Duretz, S. [INRA-AgroParisTech, UMR 1091 Environnement et Grandes Cultures (EGC), 78850 Thiverval-Grignon (France); Drouet, J.L., E-mail: Jean-Louis.Drouet@grignon.inra.fr [INRA-AgroParisTech, UMR 1091 Environnement et Grandes Cultures (EGC), 78850 Thiverval-Grignon (France); Durand, P. [INRA-AgroCampus, UMR 1069 Sol Agro et hydrosysteme Spatialisation (SAS), 35042 Rennes cedex (France); Hutchings, N.J. [Department of Agroecology, Faculty of Agricultural Sciences, University of Aarhus (AU), Blichers Alle, 8830 Tjele (Denmark); Theobald, M.R. [Department of Chemistry and Agricultural Analysis, Technical University of Madrid (UPM), 28040 Madrid (Spain); Centre for Ecology and Hydrology (CEH), Bush Estate, Penicuik, Midlothian EH26 0QB (United Kingdom); Salmon-Monviola, J. [INRA-AgroCampus, UMR 1069 Sol Agro et hydrosysteme Spatialisation (SAS), 35042 Rennes cedex (France); Dragosits, U. [Centre for Ecology and Hydrology (CEH), Bush Estate, Penicuik, Midlothian EH26 0QB (United Kingdom); Maury, O. [INRA-AgroParisTech, UMR 1091 Environnement et Grandes Cultures (EGC), 78850 Thiverval-Grignon (France); Sutton, M.A. [Centre for Ecology and Hydrology (CEH), Bush Estate, Penicuik, Midlothian EH26 0QB (United Kingdom); Cellier, P. [INRA-AgroParisTech, UMR 1091 Environnement et Grandes Cultures (EGC), 78850 Thiverval-Grignon (France)

2011-11-15

Modelling nitrogen transfer and transformation at the landscape scale is relevant to estimate the mobility of the reactive forms of nitrogen (N{sub r}) and the associated threats to the environment. Here we describe the development of a spatially and temporally explicit model to integrate N{sub r} transfer and transformation at the landscape scale. The model couples four existing models, to simulate atmospheric, farm, agro-ecosystem and hydrological N{sub r} fluxes and transformations within a landscape. Simulations were carried out on a theoretical landscape consisting of pig-crop farms interspersed with unmanaged ecosystems. Simulation results illustrated the effect of spatial interactions between landscape elements on N{sub r} fluxes and losses to the environment. More than 10% of the total N{sub 2}O emissions were due to indirect emissions. The nitrogen budgets and transformations of the unmanaged ecosystems varied considerably, depending on their location within the landscape. The model represents a new tool for assessing the effect of changes in landscape structure on N{sub r} fluxes. - Highlights: > The landscape scale is relevant to study how spatial interactions affect N{sub r} fate. > The NitroScape model integrates N{sub r} transfer and transformation at landscape scale. > NitroScape couples existing atmospheric, farm, agro-ecosystem and hydrological models. > Data exchanges within NitroScape are dynamic and spatially distributed. > More than 10% of the simulated N{sub 2}O emissions are due to indirect emissions. - A model integrating terrestrial, hydrological and atmospheric processes of N{sub r} transfer and transformation at the landscape scale has been developed to simulate the effect of spatial interactions between landscape elements on N{sub r} fate.

NitroScape: A model to integrate nitrogen transfers and transformations in rural landscapes

International Nuclear Information System (INIS)

Duretz, S.; Drouet, J.L.; Durand, P.; Hutchings, N.J.; Theobald, M.R.; Salmon-Monviola, J.; Dragosits, U.; Maury, O.; Sutton, M.A.; Cellier, P.

2011-01-01

Modelling nitrogen transfer and transformation at the landscape scale is relevant to estimate the mobility of the reactive forms of nitrogen (N r ) and the associated threats to the environment. Here we describe the development of a spatially and temporally explicit model to integrate N r transfer and transformation at the landscape scale. The model couples four existing models, to simulate atmospheric, farm, agro-ecosystem and hydrological N r fluxes and transformations within a landscape. Simulations were carried out on a theoretical landscape consisting of pig-crop farms interspersed with unmanaged ecosystems. Simulation results illustrated the effect of spatial interactions between landscape elements on N r fluxes and losses to the environment. More than 10% of the total N 2 O emissions were due to indirect emissions. The nitrogen budgets and transformations of the unmanaged ecosystems varied considerably, depending on their location within the landscape. The model represents a new tool for assessing the effect of changes in landscape structure on N r fluxes. - Highlights: → The landscape scale is relevant to study how spatial interactions affect N r fate. → The NitroScape model integrates N r transfer and transformation at landscape scale. → NitroScape couples existing atmospheric, farm, agro-ecosystem and hydrological models. → Data exchanges within NitroScape are dynamic and spatially distributed. → More than 10% of the simulated N 2 O emissions are due to indirect emissions. - A model integrating terrestrial, hydrological and atmospheric processes of N r transfer and transformation at the landscape scale has been developed to simulate the effect of spatial interactions between landscape elements on N r fate.

Characterization of Romboutsia ilealis gen. nov., sp. nov., isolated from the gastro-intestinal tract of a rat, and proposal for the reclassification of five closely related members of the genus Clostridium into the genera Romboutsia gen. nov., Intestinibacter gen. nov., Terrisporobacter gen. nov. and Asaccharospora gen. nov.

Science.gov (United States)

Gerritsen, Jacoline; Fuentes, Susana; Grievink, Wieke; van Niftrik, Laura; Tindall, Brian J; Timmerman, Harro M; Rijkers, Ger T; Smidt, Hauke

2014-05-01

A Gram-positive staining, rod-shaped, non-motile, spore-forming obligately anaerobic bacterium, designated CRIBT, was isolated from the gastro-intestinal tract of a rat and characterized. The major cellular fatty acids of strain CRIBT were saturated and unsaturated straight-chain C12-C19 fatty acids, with C16:0 being the predominant fatty acid. The polar lipid profile comprised six glycolipids, four phospholipids and one lipid that did not stain with any of the specific spray reagents used. The only quinone was MK-6. The predominating cell-wall sugars were glucose and galactose. The peptidoglycan type of strain CRIBT was A1σ lanthionine-direct. The genomic DNA G+C content of strain CRIBT was 28.1 mol%. On the basis of 16S rRNA gene sequence similarity, strain CRIBT was most closely related to a number of species of the genus Clostridium, including Clostridium lituseburense (97.2%), Clostridium glycolicum (96.2%), Clostridium mayombei (96.2%), Clostridium bartlettii (96.0%) and Clostridium irregulare (95.5%). All these species show very low 16S rRNA gene sequence similarity (genus Clostridium. DNA-DNA hybridization with closely related reference strains indicated reassociation values below 32%. On the basis of phenotypic and genetic studies, a novel genus, Romboutsia gen. nov., is proposed. The novel isolate CRIBT (=DSM 25109T=NIZO 4048T) is proposed as the type strain of the type species, Romboutsia ilealis gen. nov., sp. nov., of the proposed novel genus. It is proposed that C. lituseburense is transferred to this genus as Romboutsia lituseburensis comb. nov. Furthermore, the reclassification into novel genera is proposed for C. bartlettii, as Intestinibacter bartlettii gen. nov., comb. nov. (type species of the genus), C. glycolicum, as Terrisporobacter glycolicus gen. nov., comb. nov. (type species of the genus), C. mayombei, as Terrisporobacter mayombei gen. nov., comb. nov., and C. irregulare, as Asaccharospora irregularis gen. nov., comb. nov. (type species

Thermodynamic functions for solubility of 3-nitro-o-toluic acid in nine organic solvents from T = (283.15 to 318.15) K and apparent thermodynamic properties of solutions

International Nuclear Information System (INIS)

Li, Xinbao; Wang, Mingju; Du, Cunbin; Cong, Yang; Zhao, Hongkun

2017-01-01

Highlights: • Solubilities of 3-nitro-o-toluic acid in nine organic solvents were determined. • The solubilities were correlated by using four thermodynamic models. • The mixing properties of solution were computed based on Wilson model. - Abstract: Separation of 3-nitro-o-toluic acid from its isomeric mixtures has essential significance in industry. In this work, by using isothermal saturation method, the solid-liquid equilibrium for 3-nitro-o-toluic acid in nine organic solvents (acetonitrile, methanol, ethanol, n-propanol, isopropanol, ethyl acetate, acetone, 1,4-dioxane and 2-butanone) were obtained experimentally within a temperature range from (283.15 to 318.15) K under atmosphere pressure of 101.2 kPa, and the solubility values of 3-nitro-o-toluic acid in these solvents were determined by a high-performance liquid chromatography. Within the studied temperature range, the mole fraction solubility of 3-nitro-o-toluic acid in selected organic solvents increased with increasing temperature. Except for ethyl acetate, the descending order of the mole fraction solubility values were as follow: 1,4-dioxane > acetone > 2-butanone > methanol > ethanol > isopropanol > n-propanol > acetonitrile. The solubility values determined for 3-nitro-o-toluic acid in the selected solvents were correlated and back calculated with the modified Apelblat equation, λh equation, Wilson model and NRTL model. The largest values of RAD and RMSD obtained with the four models were 0.67% and 4.02 × 10 −4 , respectively. In general, the four thermodynamic models were all acceptable for describing the solubility behaviour of 3-nitro-o-toluic acid in these solvents. In addition, the apparent mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration and reduced excess enthalpy were calculated. The acquired solubility data and thermodynamic studies would be very important in optimizing the separation process of 3-nitro-o-toluic acid from

J3Gen: A PRNG for Low-Cost Passive RFID

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Jordi Herrera-Joancomartí

2013-03-01

Full Text Available Pseudorandom number generation (PRNG is the main security tool in low-cost passive radio-frequency identification (RFID technologies, such as EPC Gen2. We present a lightweight PRNG design for low-cost passive RFID tags, named J3Gen. J3Gen is based on a linear feedback shift register (LFSR configured with multiple feedback polynomials. The polynomials are alternated during the generation of sequences via a physical source of randomness. J3Gen successfully handles the inherent linearity of LFSR based PRNGs and satisfies the statistical requirements imposed by the EPC Gen2 standard. A hardware implementation of J3Gen is presented and evaluated with regard to different design parameters, defining the key-equivalence security and nonlinearity of the design. The results of a SPICE simulation confirm the power-consumption suitability of the proposal.

Meristoderes gen. nov., a new kinorhynch genus, with the description of two new species and their implications for echinoderid phylogeny (Kinorhyncha: Cyclorhagida, Echinoderidae)

DEFF Research Database (Denmark)

Herranz, María; Thormar, Jonas Gjaldbæk; Benito, Jesús

2012-01-01

A new kinorhynch genus, Meristoderes gen. nov., and two new species from Spain and the Solomon Islands, respectively, are described. The new genus is distinguished from all other genera by the first segment consisting of a closed cuticular ring, and the second segment having partial tergosternal......–9, with conspicuously long bracteate hairs from the posteriormost perforations sites on the segments 3–7 and 3–6, respectively. The new genus Meristoderes gen. nov. is included into the family Echinoderidae Bütschli, 1876 and appears closely related with the genera Cephalorhyncha Adrianov, 1999 and Echinoderes...... a middorsal spine on segment 4 only, ventrolateral tubules on segment 2, lateroventral tubules on segment 5, lateroventral spines on segments 6–9, lateral accessory tubules on segment 8 and subdorsal tubules on segment 10. Both species have a pattern of paraventral perforation site clusters on segments 3...

Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

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De-Cai Wang

2008-11-01

Full Text Available In the title compound, C16H15F2NO4, the dihedral angle between the three-membered ring and the quinoline ring system is 64.3 (3°. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules, forming a column running along [101].

O impacto da genética na asma infantil

OpenAIRE

Pinto,Leonardo A.; Stein,Renato T.; Kabesch,Michael

2008-01-01

OBJETIVO: Apresentar os resultados dos estudos mais importantes e recentes sobre a genética da asma. Estes dados devem auxiliar os clínicos gerais a compreender o impacto da genética sobre este distúrbio complexo e como os genes e polimorfismos influenciam a asma e a atopia. FONTES DOS DADOS: Os dados foram coletados do banco de dados MEDLINE. Os estudos de associação genética foram selecionados do Genetic Association Database, um repositório de estudos de associação genética de doenças e dis...

Discusión: Explicaciones genéticas y psicológicas de la esquizofrenia.Genética de la esperanza

Directory of Open Access Journals (Sweden)

Silvio Bolaños-Salvatierra

2003-01-01

Full Text Available En este documento se rebaten críticas hechas por Raventós y Jensen al artículo “Genética y comportamiento”. Cuatro temas fueron seleccionados: 1 se determina que los antipsicóticos aparecieron veinte años después de la concepción hereditaria de la esquizofrenia; 2 se considera que la discusión es altamente pertinente, para nada bizantina o irrelevante, debido que persisten prácticas epistémicas riesgosas en los investigadores genético-conductuales; 3 aunque ninguna conducta humana está exenta de influencia constitucional, el enfoque biologicista se ha propasado al pretender explicar genéticamente casi todo, desconfirmando solapadamente la importancia de la historia personal; y, 4 se plantea que la investigación biológica sobrevalora el peso de las anomalías genéticas frente a la historia social, por lo que solo aparenta cautela. Se propone investigar genéticamente la esperanza con el objetivo de saturar a la humanidad con ese tipo de explicaciones, para alcanzar más rápido una convivencia basada en la tolerancia y el respeto.

Development of a fast and flexible generic process for the reduction of nitro compounds

DEFF Research Database (Denmark)

Haas-Santo, K.; Vankayala, B.; Dittmeyer, R.

slurry catalyst was designed that can be adapted for reduction of a range of nitro compounds. The generic process provides the possibilities of swapping out a reactor or work up technology as required. The equipments of the generic process should be also able to operate at wider range of operational......The hydrogenation of aromatic nitro substrates is a frequently used reaction in the multi-step fabrication of active pharmaceutical ingredients (APIs). Today most pharmaceutical production processes are performed in batch mode. In the frame of the C2-campaign speed is an important factor during...... the production of a multitude of possible API’s. A generic reactor set-up able to be adapted for the transformation of a specific substrate would reduce the development time and thereby the campaign time significantly. In the frame of the EU-project F3-Factory such a flexible and continuous reaction system...

Synthesis and physical-chemical properties of 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R-2,4-dihydro-3H-1,2,4-triazoles

Directory of Open Access Journals (Sweden)

T. M. Kaplaushenko

2016-06-01

Full Text Available The major social and economic problem of pharmaceutical industry is the search for biologically active substances, which may become the basis of new drugs, competitive with expensive imported drugs. Analysis of literature shows that in recent decades the attention is paid to researches of heterocyclic systems as potential biologically active agents of both domestic and foreign scientists. Particular interest in this regard cause 3-thio derivatives of 1,2,4-triazoles. Despite high number of publications relating to synthesis and biological properties of 1,2,4-triazole derivatives, the structure and physical-chemical properties of these compounds are studied insufficiently. In this regard, the study of synthetic, physical-chemical and biological properties of 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R1-2,4-dihydro-3H-1,2,4-triazoles in our point of view is a new, theoretically and practically significant direction. Purpose - targeted synthesis of new low-toxic and highly effective compounds with potential pharmacological activity in a series of 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R-2,4-dihydro-3H-1,2,4-triazoles and the study of physical and chemical properties of the synthesized compounds. Materials and methods. As starting compounds 5-(quinoline-2-il- 2-hydroxyquinoline-4-yl-4-R1-3-thio-1,2,4-triazoles have been used. Through further cooperation with halogen alkanes (ethyl bromide, propyl bromide, amyl bromide, octyl bromide, nonyl bromide, decyl bromide, cyclohexyl chloride, benzyl chloride 3-alkylthio-5-(quinoline-2-yl, 2-hydroxyquinoline-4-yl-4-R1-2,4-dyhidro-3H-1,2,4-triazoles have been obtained. Results. 15 New compounds have been received as a result of synthetic transformations, the structure of synthesized compounds has been confirmed by modern complex of physical and chemical methods of analysis (IR-spectrophotometry, 1H NMR-spectroscopy, elemental analysis, and their individuality has been proved by

Effects of 5-nitro-2-furaldehyde on the radiation damage of liposomes

International Nuclear Information System (INIS)

Kuropteva, Z.V.; Sprinz, H.; Schaefer, H.; Winkler, E.

1986-01-01

By means of 1 H-NMR spectroscopy the influence of 5-nitro-2-furaldehyde (NF) on the permeation of Eu 3+ ions into irradiated liposomes of egg yolk lecithin was examined. In the presence of NF there was an increase in the permeability of irradiated liposomes. The damage of the liposomes was quantified spectrophotometrically in terms of diene conjugation. (author)

Hydrogen-Bonding Interactions in Luminescent Quinoline-Triazoles with Dominant 1D Crystals

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Shi-Qiang Bai

2017-09-01

Full Text Available Quinoline-triazoles 2-((4-(diethoxymethyl-1H-1,2,3-triazol-1-ylmethylquinoline (1, 2-((4-(m-tolyl-1H-1,2,3-triazol-1-ylmethylquinoline (2 and 2-((4-(p-tolyl-1H-1,2,3-triazol-1-ylmethylquinoline (3 have been prepared with CuAAC click reactions and used as a model series to probe the relationship between lattice H-bonding interaction and crystal direction of growth. Crystals of 1–3 are 1D tape and prism shapes that correlate with their intermolecular and solvent 1D lattice H-bonding interactions. All compounds were thermally stable up to about 200 C and blue-green emissive in solution.

Two nitro derivatives of azabenzo[a]pyrene N-oxide: Electronic properties and their relation to mutagenic activity

Energy Technology Data Exchange (ETDEWEB)

Ostojić, Bojana D., E-mail: bostojic@chem.bg.ac.rs; Đorđević, Dragana S.

2015-03-21

Highlights: • Molecular properties of nitro isomers of azabenzo[a]pyrene N-oxide are investigated. • Stability, ionization potential, electron affinity, and polarizability are determined. • High quality DFT methods are employed. • Nitroreduction, oxidation, and polarizability are not crucial for mutagenicity. • Dipole moment and electronic charge distribution are important for characterization. - Abstract: The equilibrium geometries, relative energies, IR and Raman spectra, vertical ionization potentials (IP), vertical electron affinities (EA), dipole moments (μ), electronic dipole polarizabilities (α), and molecular electrostatic potentials (MEP) of two species that show very high mutagenicity, 1-nitro-6-azabenzo[a]pyrene N-oxide (1-N-6-ABPO) and 3-nitro-6-azabenzo[a]pyrene N-oxide (3-N-6-ABPO), are investigated by means of Density Functional Theory (DFT) using B3LYP functional with different basis sets. The 3-N-6-ABPO isomer was estimated to be much more mutagenic in Salmonella typhimurium tester strain TA98 (396 000 revertants/nmol) than 1-N-6-ABPO (36 100 revertants/nmol) (Fukuhara et al., 1992). The results show that for both isomers the structural, energetic, and vibrational properties are similar. The orientation of the nitro group with respect to the plane of the aromatic system as well as the nitroreduction and oxidation reaction and polarizability seem not be important for the determination of different mutagenic behavior of these isomers. However, the dipole moment of 3-N-6-ABPO is about 3 times that of 1-N-6-ABPO. The larger dipole moment and the different electronic charge distribution of 3-N-6-ABPO compared to 1-N-6-ABPO imply stronger electrostatic and inductive molecular interactions so that the active site of the enzyme involved in the mutagenic activation can more effectively bind 3-N-6-ABPO compared to 1-N-6-ABPO.

Identification of Bound Nitro Musk-Protein Adduct in Fish Liver By Gas Chromatography-Mass Sectrometry: Biotransformation, Dose-Response and Toxicokinetics of Nitro Musk Metabolites Protein Adducts in Trout Liver as Biomarker of Exposure

Science.gov (United States)

Ubiquitous occurrences of synthetic nitro musks are evident in the literature. The In vivo analysis of musk xylene (MX) and musk ketone (MK) - protein adducts in trout liver have been performed by gas chromatography-mass spectrometry using selected ion monitoring (GC-SIM-MS). Bio...

Effect of quinolinic acid in the nucleus basalis magnocellularis on cortical high-affinity choline uptake

Energy Technology Data Exchange (ETDEWEB)

Metcalf, R.H.; Boegman, R.J.; Quirion, R.; Riopelle, R.J.; Ludwin, S.K.

1987-08-01

A transient 45% increase in cortical high-affinity choline uptake (HACU) was observed after an injection of quinolinic acid (QUIN) into the nucleus basalis magnocellularis (nbM) of the rat. This was followed by a steady decline in choline uptake, which resulted in a 46% decrease by day 7. Specific (/sup 3/H)hemicholinium-3 binding to coronal brain sections showed a similar pattern following injections of QUIN into the nbM. The increase in cortical HACU elicited by QUIN appeared to be dose dependent.

Crystal structure of 1-[(2S*,4R*-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

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P. S. Pradeep

2014-09-01

Full Text Available In the title compound, C14H17FN2O, the 1,2,3,4-tetrahydropyridine ring of the quinoline moiety adopts a half-chair conformation, while the pyrrolidine ring has an envelope conformation with the central methylene C atom as the flap. The pyrrolidine ring lies in the equatorial plane and its mean plane is normal to the mean plane of the quinoline ring system, with a dihedral angle value of 88.37 (9°. The bridging N—C bond distance [1.349 (3 Å] is substantially shorter than the sum of the covalent radii (dcov: C—N = 1.47 Å and C=N = 1.27 Å, which indicates partial double-bond character for this bond, resulting in a certain degree of charge delocalization. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming sheets lying parallel to (10-1. These two-dimensional networks are linked via C—H...F hydrogen bonds and C—H...π interactions, forming a three-dimensional structure.

Genética e hanseníase

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Bernardo Beiguelman

Full Text Available As diferentes linhas de pesquisa utilizadas para investigar a importância dos fatores hereditários humanos na determinação da resistência/suscetibilidade à infecção pelo Mycobacterium leprae foram discutidas no presente trabalho. Uma síntese dessas abordagens permitiu analisar os resultados das investigações sobre associação da hanseníase com polimorfismos genéticos, distribuição familial da hanseníase, prevalência da hanseníase e distância genética, concordância da hanseníase em gêmeos e estudos genéticos sobre a reação de Mitsuda.

HIV, prospective memory, and cerebrospinal fluid concentrations of quinolinic acid and phosphorylated Tau.

Science.gov (United States)

Anderson, Albert M; Croteau, David; Ellis, Ronald J; Rosario, Debra; Potter, Michael; Guillemin, Gilles J; Brew, Bruce J; Woods, Steven Paul; Letendre, Scott L

2018-06-15

There is mounting evidence that prospective memory (PM) is impaired during HIV infection despite treatment. In this prospective study, 66 adults (43 HIV+ and 23 HIV negative) underwent PM assessment and cerebrospinal fluid (CSF) examination. HIV+ participants had significantly lower PM but significantly higher CSF concentrations of CXCL10 and quinolinic acid (QUIN). Higher CSF phosphorylated Tau (pTau) was associated with worse PM. In a secondary analysis excluding outliers, higher QUIN correlated with higher pTau. CSF QUIN is thus elevated during HIV infection despite antiretroviral therapy and could indirectly contribute to impaired PM by influencing the formation of pTau. Copyright © 2018 Elsevier B.V. All rights reserved.

Crystal structure of {(R-N2-[(benzo[h]quinolin-2-ylmethyl]-N2′-[(benzo[h]quinolin-2-ylmethylidene]-1,1′-binaphthyl-2,2′-diamine-κ4N,N′,N′′,N′′′}(trifluoromethanesulfonato-κOzinc(II} trifluoromethanesulfonate dichloromethane 1.5-solvate

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Shayna R. Skokan

2017-07-01

Full Text Available The zinc(II atom in the title compound, [Zn(C48H31N4(CF3SO3](CF3SO3·1.5CH2Cl2, adopts a distorted five-coordinate square-pyramidal geometry. It is coordinated by one trifluoromethanesulfonate ligand and four N atoms of the N2-[(benzo[h]quinolin-2-ylmethyl]-N2′-[(benzo[h]quinolin-2-ylmethylidene]-1,1′-binaphthyl-2,2′-diamine ligand. The complex is present as a single-stranded P-helimer monohelical structure incorporating π–π and/or σ–π interactions. One of the imine bonds present in the original ligand framework is reduced, leading to variations in bond lengths and torsion angles for each side of the ligand motif. The imine-bond reduction also affects the bond lengths involving the metal atom with the N-donor atoms located on the imine bond. There are two molecules of the complex in the asymmetric unit. One of the molecules exhibits positional disorder within the coordinating trifluoromethanesulfonate ion making the molecules symmetrically non-equivalent.

Quinoline group based fluorescent sensor for detecting zinc ions in aqueous media and its logic gate behaviour

International Nuclear Information System (INIS)

Dong, Zhengping; Guo, Yueping; Tian, Xin; Ma, Jiantai

2013-01-01

A highly sensitive method for quantitative determination of Zn 2+ in water has been developed by using a novel fluorescent sensor NQA: (N-Quinolin-8-yl-2-[(quinolin-8-ylcarbamoylmethyl)-amino]-acetamide). The sensor displays great selectivity for Zn 2+ in the presence of other metal ions in aqueous solution and possesses an excellent sensitivity of about 2×10 −8 M for Zn 2+ . The binding stoichiometry, binding affinity, and pH sensitivity of the sensor have also been studied. Furthermore, the fluorescent changes of NQA upon the addition of cations (Cu 2+ and Zn 2+ ) are utilized to construct an INHIBIT logic gate at the molecular level, using Cu 2+ and Zn 2+ as chemical inputs and the fluorescence intensity as output. NQA has ideal chemical and spectroscopic properties that satisfy the criteria for further biological and environmental applications. - Highlights: ► A novel fluorescent sensor for Zn 2+ in water has been synthesized. ► The sensor displays high selectivity for Zn 2+ in the presence of other ions. ► The sensor exhibits excellent sensing ability under the physiological pH window. ► The sensor can be utilized as an INHIBIT logic gate at the molecular level.

TDDFT study on excited state intramolecular proton transfer mechanism in 2-amino-3-(2‧-benzazolyl)-quinolines

Science.gov (United States)

Jia, Xueli; Li, Chaozheng; Li, Donglin; Liu, Yufang

2018-03-01

The intramolecular proton transfer reaction of the 2-amino-3-(2‧-benzoxazolyl)-quinoline (ABO) and 2-amino-3-(2‧-benzothiazolyl)-quinoline (ABT) molecules in both S0 and S1 states at B3LYP/6-311 ++G(d,p) level in ethanol solvent have been studied to reveal the deactivation mechanism of the tautomers of the two molecules from the S1 state to the S0 state. The results show that the tautomers of ABO and ABT molecules may return to the S0 state by emitting fluorescence. In addition, the bond lengths, angles and infrared spectra are analyzed to confirm the hydrogen bonds strengthened upon photoexcitation, which can facilitate the proton transfer process. The frontier molecular orbitals (MOs) and natural bond orbital (NBO) are also calculated to indicate the intramolecular charge transfer which can be used to explore the tendency of ESIPT reaction. The potential energy surfaces of the ABO and ABT molecules in the S0 and S1 states have been constructed. According to the energy potential barrier of 9.12 kcal/mol for ABO molecule and 5.96 kcal/mol for ABT molecule, it can be indicated that the proton transfer may occur in the S1 state.

Genética de la preeclampsia: una aproximación a los estudios de ligamiento genético.

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Nora Alejandra Zuluaga

2004-06-01

Full Text Available La preeclampsia es considerada un problema de salud pública debido a su alta prevalencia. Muchas investigaciones coinciden en que su origen se relaciona con la interacción entre factores genéticos y ambientales. Por esta razón, múltiples estudios han explorado tales factores genéticos tratando de identificar regiones cromosómicas y genes candidatos cuyas variantes se relacionen con una mayor susceptibilidad a la enfermedad. Diversos estudios de asociación han identificado algunos genes de susceptibilidad a la preeclampsia, pero los resultados no se han replicado consistentemente en todas las poblaciones, quizá por su complejidad clínica y genética. El levantamiento de mapas de genes y regiones cromosómicas basado en análisis de ligamiento ha mostrado resultados interesantes con algunos marcadores en los cromosomas 2 y 4. En este sentido, hay muchas expectativas con respecto a los genes localizados en tales regiones candidatas, debido a que la identificación de los factores de riesgo genético podría ayudar al entendimiento de esta condición y en proveer claves para su prevención y tratamiento.

Macuahuitloides inexpectans n. gen., n. sp. (Molineidae: Anoplostrongylinae) from Mormoops megalophylla (Chiroptera: Mormoopidae).

Science.gov (United States)

Jiménez, F Agustín; Peralta-Rodríguez, Jorge Luis; Caspeta-Mandujano, Juan; Ramírez-Díaz, Silvia Edith

2014-10-01

Macuahuitloides inexpectans n. gen., n. sp. (Molineidae: Anoplostrongylinae) is herein described. The description is based on specimens removed from the small intestine of ghost-faced bats, Mormoops megalophylla, from central Mexico. The monotypic genus is unique in featuring sexual dimorphism on the cuticular ornamentation, which consists of the presence of spines on the anterior quarter of females, and of the presence of rugosities on the surface of the cephalic vesicle of males. The cuticular spines are arranged in spiral rings on the anterior quarter of the body, and there is no trace of said structures on the cuticle of males. The synlophe of the males possess 12 ridges, whereas there is no synlophe in females. Finally, females show a prominent caudal terminus (spine) and 3 subterminal tubercles, whereas males show bursal rays in a 3-2 arrangement, with a relatively prominent dorsal ray.

Divergence and genetic variability among superior rubber tree genotypes Divergência e variabilidade genética de genótipos superiores de seringueira

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Lígia Regina Lima Gouvêa

2010-02-01

Full Text Available The objective of this work was to estimate the genetic variability and divergence among 22 superior rubber tree (Hevea sp. genotypes of the IAC 400 series. Univariate and multivariate analyses were performed using eight quantitative traits (descriptors, including yield. In the univariate analyses, the estimated parameters were: genetic and environmental variances; genetic and environmental coefficients of variation; and the variation index. The Mahalanobis generalized distance, the Tocher agglomerative method and canonical variables were used for the multivariate analyses. In the univariate analyses, variability was verified among the genotypes for all the variables evaluated. The Tocher method grouped the genotypes into 11 clusters of dissimilarity. The first four canonical variables explained 87.93% of the cumulative variation. The highest genetic variability was found in rubber yield-related traits, which contributed the most to the genetic divergence. The most divergent pairs of genotypes are suggested for crossbreeding. The genotypes evaluated are suitable for breeding and may be used to continue the IAC rubber tree breeding program.O objetivo deste trabalho foi estimar a divergência e a variabilidade genética entre 22 genótipos superiores de seringueira (Hevea sp. da série IAC 400. Análises univariadas e multivariadas foram realizadas com oito caracteres quantitativos (descritores, incluindo produtividade. Na análise univariada, os parâmetros estimados foram: variâncias genética e ambiental, coeficientes de variação genética e ambiental, e índice de variação. A distância generalizada de Mahalanobis, o método aglomerativo de Tocher e variáveis canônicas foram utilizados nas análises multivariadas. Nas análises univariadas, verificou-se variabilidade entre os genótipos para todas as variáveis avaliadas. O método de Tocher agrupou os genótipos em 11 grupos de dissimilaridade. As quatro primeiras variáveis can

Estructura y diversidad genética en vacas Holstein de Antioquia usando un polimorfismo del gen bGH

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Juan Rincon F.

2013-03-01

Full Text Available Objetivo. Determinar las frecuencias alélicas y genotípicas del polimorfismo del intrón 3 del gen bGH y estimar algunos parámetros de estructura poblacional en ganado Holstein. Materiales y métodos. El estudio se realizó con 1366 vacas Holstein en 120 hatos de 11 municipios del departamento de Antioquia. Se extrajo DNA por el método de Salting out y la genotipificación se realizó usando la técnica de PCR-RFLPs. La diversidad genética se determinó mediante la comparación de las heterocigosidades, El equilibrio de Hardy-Weinberg (HW y la diferenciación genética entre las poblaciones se realizó usando el software Arlequín 2.0 Las frecuencias alélicas y genotípicas se evaluaron mediante el paquete estadístico SAS®. Resultados. Las frecuencias genotípicas encontradas fueron 0.764 (+/+, 0.223 (+/- y 0.013 (-/- y las frecuencias alélicas 0.876 (+ y 0.124 (-. No se encontraron desviaciones del Equilibrio de Hardy Weinberg en ninguna de las subpoblaciones. La diversidad genética determinada mediante la comparación de las heterocigosidades fue relativamente baja entre poblaciones pero al interior de estas no. El valor de FST de toda la población fue de 0.0068 y significativo (p<0.05, algunos FST pareados también lo fueron, tomando valores desde 0.0 a 0.13. Los estadísticos FIT y FIS no fueron significativos. Conclusiones. El gen bGH es un candidato interesante para evaluar características de importancia económica ya que no parece haber sido sometido a selección directa, presenta una variabilidad media en las poblaciones, observándose diferenciación genética significativa entre distintos municipios, producto de los diferentes sistemas de producción y acceso a las biotecnologías.

Hemin potentiates nitric oxide-mediated nitrosation of 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) to 2-nitrosoamino-3-methylimidazo[4,5-f]quinoline.

Science.gov (United States)

Lakshmi, Vijaya M; Clapper, Margie L; Chang, Wen-Chi; Zenser, Terry V

2005-03-01

Heme has been reported to be an important contributor to endogenous N-nitrosation within the colon and to the enhanced incidence of colon cancer observed with increased intake of red meat. This study uses the heterocyclic amine 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) as a target to evaluate hemin potentiation of nitric oxide (NO)-mediated nitrosation. Formation of 14C-2-nitrosoamino-3-methylimidazo[4,5-f]quinoline (N-NO-IQ) was monitored by HPLC following incubation of 10 microM IQ with the NO donor spermine NONOate (1.2 microM NO/min) at pH 7.4 in the presence or absence of hemin. N-NO-IQ formation due to autoxidation of NO was at the limit of detection (0.1 microM) and increased 22-fold in the presence of 10 microM hemin and an in situ system for generating H2O2 (glucose oxidase/glucose). A linear increase in N-NO-IQ formation was observed from 1 to 10 microM hemin. Significant nitrosamine formation occurred at fluxes of NO and H2O2 as low as 0.024 and 0.25 microM/min, respectively. Potentiation by hemin was not affected by a 400-fold excess flux of H2O2 over NO or a 4.8-fold excess flux of NO over H2O2. Reactive nitrogen species produced by hemin potentiation had a 46-fold greater affinity for IQ than those produced by autoxidation. Azide inhibited autoxidation, suggesting involvement of the nitrosonium ion, NO+. Hemin potentiation was inhibited by NADH, but not azide, suggesting oxidative nitrosylation with NO2* or a NO2*-like species. IQ and 2,3-diaminonaphthylene were much better targets for nitrosation than the secondary amine morpholine. Apc(min) mice with dextran sulfate sodium-induced colitis demonstrated increased levels of urinary nitrite and nitrate consistent with increased expression of iNOS and NO synthesis. As reported previously, identical conditions increased fecal N-nitroso compounds. Thus, hemin potentiation of NO-mediated nitrosation of heterocyclic amines provides a testable mechanism by which red meat consumption can generate N

Next Gen One Portal Usability Evaluation

Science.gov (United States)

Cross, E. V., III; Perera, J. S.; Hanson, A. M.; English, K.; Vu, L.; Amonette, W.

2018-01-01

Each exercise device on the International Space Station (ISS) has a unique, customized software system interface with unique layouts / hierarchy, and operational principles that require significant crew training. Furthermore, the software programs are not adaptable and provide no real-time feedback or motivation to enhance the exercise experience and/or prevent injuries. Additionally, the graphical user interfaces (GUI) of these systems present information through multiple layers resulting in difficulty navigating to the desired screens and functions. These limitations of current exercise device GUI's lead to increased crew time spent on initiating, loading, performing exercises, logging data and exiting the system. To address these limitations a Next Generation One Portal (NextGen One Portal) Crew Countermeasure System (CMS) was developed, which utilizes the latest industry guidelines in GUI designs to provide an intuitive ease of use approach (i.e., 80% of the functionality gained within 5-10 minutes of initial use without/limited formal training required). This is accomplished by providing a consistent interface using common software to reduce crew training, increase efficiency & user satisfaction while also reducing development & maintenance costs. Results from the usability evaluations showed the NextGen One Portal UI having greater efficiency, learnability, memorability, usability and overall user experience than the current Advanced Resistive Exercise Device (ARED) UI used by astronauts on ISS. Specifically, the design of the One-Portal UI as an app interface similar to those found on the Apple and Google's App Store, assisted many of the participants in grasping the concepts of the interface with minimum training. Although the NextGen One-Portal UI was shown to be an overall better interface, observations by the test facilitators noted specific exercise tasks appeared to have a significant impact on the NextGen One-Portal UI efficiency. Future updates to

Synthesis and Structural Characterization of 1-[2-(5-Nitro-1H-indol-2-ylphenyl]methylpyridinium Chloride

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John B. Bremner

2011-09-01

Full Text Available In the course of studies on hybrid antibacterials incorporating 2-aryl-5-nitro-1H-indole moieties as potential bacterial NorA efflux pump inhibitors, the compound 1-[2-(5-nitro-1H-indol-2-ylphenyl]methylpyridinium chloride (2 was synthesized and structurally characterized. This pyridinium chloride salt crystallized in the monoclinic space group P21/c with the following unit cell dimensions: a 10.274(3 Å, b 13.101(4 Å, c 13.439(4 Å, b 107.702(7°, V 1723.2(9 Å3, Z (f.u. = 4; R1 = 0.048, and wR2 = 0.13. Of interest in the single crystal X-ray structure is the (intramolecular disposition of the pyridinium plane over the indole heterocyclic residue [interplanar dihedral angle 17.91(4°].

Salud pública, genética y ética

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Kottow Miguel H

2002-01-01

Full Text Available La investigación genética ha tenido una enorme expansión en recientes décadas, con repercusiones terapéuticas aún inciertas. El análisis bioético tradicional de las complejas prácticas genéticas ha sido insuficiente por sostenerse en la ética de la investigación y en la bioética de corte principialista. Los problemas éticos más importantes de la genética son de orden colectivo y deben ser abordados por una reflexión ético-social cuyo enfoque es más amplio que la agenda interpersonal del principialismo. Temas como exploraciones genéticas, cuestiones patrimoniales, manipulación génica y asignación de recursos, deben todos ser sometidos a un pensamiento inspirado en los requerimientos de la ciudadanía, en el bien común y en la definición del rol del Estado en fiscalizar actividades genéticas y en proteger a la población. El objetivo del estudio es mostrar cómo el amplio campo de la ética y de la genética tiene una mayor relevancia en el campo social que en el clínico. El objetivo del trabajo es señalar que la bioética principialista ha enfatizado los problemas éticos individuales que nacen con la intervención genética, a costa de marginar sus importantes repercusiones sociales.

Salud pública, genética y ética

Directory of Open Access Journals (Sweden)

Miguel H Kottow

2002-10-01

Full Text Available La investigación genética ha tenido una enorme expansión en recientes décadas, con repercusiones terapéuticas aún inciertas. El análisis bioético tradicional de las complejas prácticas genéticas ha sido insuficiente por sostenerse en la ética de la investigación y en la bioética de corte principialista. Los problemas éticos más importantes de la genética son de orden colectivo y deben ser abordados por una reflexión ético-social cuyo enfoque es más amplio que la agenda interpersonal del principialismo. Temas como exploraciones genéticas, cuestiones patrimoniales, manipulación génica y asignación de recursos, deben todos ser sometidos a un pensamiento inspirado en los requerimientos de la ciudadanía, en el bien común y en la definición del rol del Estado en fiscalizar actividades genéticas y en proteger a la población. El objetivo del estudio es mostrar cómo el amplio campo de la ética y de la genética tiene una mayor relevancia en el campo social que en el clínico. El objetivo del trabajo es señalar que la bioética principialista ha enfatizado los problemas éticos individuales que nacen con la intervención genética, a costa de marginar sus importantes repercusiones sociales.

Quantitative radioautographic determination of brain tyrosine hydroxylase after direct transfer into nitro-cellulose and immunochemical detection

International Nuclear Information System (INIS)

Weissmann, D.; Labatut, R.; Gillon, J.Y.

1988-01-01

An improved quantitative immuno chemical determination of tyrosine hydroxylase brain concentrations was designed by using direct transfer into nitro-cellulose from 20 μm thick brain sections followed by immuno-detection and quantitative radioautography [fr

Investigation of prototypal MOFs consisting of polyhedral cages with accessible Lewis-acid sites for quinoline synthesis.

Science.gov (United States)

Gao, Wen-Yang; Leng, Kunyue; Cash, Lindsay; Chrzanowski, Matthew; Stackhouse, Chavis A; Sun, Yinyong; Ma, Shengqian

2015-03-21

A series of prototypal metal-organic frameworks (MOFs) consisting of polyhedral cages with accessible Lewis-acid sites, have been systematically investigated for Friedländer annulation reaction, a straightforward approach to synthesizing quinoline and its derivatives. Amongst them MMCF-2 demonstrates significantly enhanced catalytic activity compared with the benchmark MOFs, HKUST-1 and MOF-505, as a result of a high-density of accessible Cu(II) Lewis acid sites and large window size in the cuboctahedral cage-based nanoreactor of MMCF-2.

Ring Theory

CERN Document Server

Jara, Pascual; Torrecillas, Blas

1988-01-01

The papers in this proceedings volume are selected research papers in different areas of ring theory, including graded rings, differential operator rings, K-theory of noetherian rings, torsion theory, regular rings, cohomology of algebras, local cohomology of noncommutative rings. The book will be important for mathematicians active in research in ring theory.

Optimal trading strategy for GenCo in LMP-based and bilateral ...

African Journals Online (AJOL)

cboonchu

GenCo) ... In Li and Shahidehpour (2005), a game-based bidding strategy for GenCos with ..... With the different demands, dispatched levels of GenCos vary as shown in Table 6. .... optimisation, AI applications to power systems, and power system ...

História da genética no Brasil: um olhar a partir do Museu da Genética da Universidade Federal do Rio Grande do Sul

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Vanderlei Sebastiao de Souza

2013-06-01

Full Text Available Aborda o contexto de criação do Museu da Genética, em 2011 no Departamento de Genética na Universidade Federal do Rio Grande do Sul, em Porto Alegre, e apresenta sua estrutura e conteúdo. Argumenta-se que os materiais disponibilizados no Museu da Genética constituem uma rica fonte para pesquisas sobre a história da genética no Brasil (e da genética de populações humanas em particular a partir da segunda metade do século XX, tema ainda pouco investigado, apesar da proeminência dessa área do conhecimento no Brasil.

Manipulación genética de seres humanos

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Manuel Santos Alcántara

2006-08-01

Full Text Available El gran avance que ha tenido la Genética en los últimos años y, particularmente, aquello relacionado con el desciframiento del genoma humano, ha traído a la discusión pública la posibilidad concreta de manipular genéticamente a los seres humanos. El mejoramiento o perfeccionamiento genético de los seres humanos, denominado eugenesia, actualmente se ha convertido técnicamente en una realidad, motivando una profunda reflexión de tipo ético. La pregunta básica es la siguiente: aquello que es técnicamente posible de realizar ¿es ético hacerlo? ¿Tienen derecho los padres a acceder a la tecnología genética para mejorar las características de sus hijos? En este artículo se revisan las bases científicas del mejoramiento genético de los seres humanos, y se plantean los cuestionamientos éticos más relevantes derivados de esta manipulación.

Programa nacional de prevención y consejería genética del retinoblastoma mediante detección de mutaciones en el gen RB.

Directory of Open Access Journals (Sweden)

H. Frayle

2001-07-01

una la doble mutación inactivante del gen Rb, exclusivamente somática en los esporádicos y germinal más somática en los hereditarios. Esta investigacin tuvo como objetivo caracterizar las mutaciones en el gen Rb mediante secuenciación directa y evaluar su utilidad en la consejería genética.

Synthesis, radiosynthesis and biological evaluation of quinoline carboxamide analogues of Talnetant (SB 223412) to study by PET or SPECT imaging the NK-3 receptor

International Nuclear Information System (INIS)

Bennacef, Idriss

2003-01-01

With the aim of visualizing NK-3 receptors in vivo by medical imaging techniques (positron emission tomography and single photon emission computed tomography), the synthesis of novel 2-phenylquinoline-4-carboxamides, derived from SB 223412 or SB 222 200, two non peptide potent (hNK-3-CHO: K i = 1.0 nM; K i = 4.4 nM respectively) and selective (NK-3/NK-1 ≥10 5 ) human NK-3 receptor antagonists, has been studied. The compounds obtained are characterized by the presence, on the quinoline moiety, of an atom of carbon, fluorine or iodine that can be substituted by their β + emitter (carbon-11, t(1/2) = 20 min; fluorine-18, t(1/2) = 110 min) or γ emitter (iodine-123, t(1/2) = 13 h) radio-isotopes. Monohalogenated (fluorinated or iodinated) quinolines were prepared using an efficient synthesis based on the Pfitzinger reaction. Di-halogenated analogues, bearing both an iodine and a fluorine atom, were obtained via a regioselective ortho-metalation reaction. Biological evaluation of these compounds led to the determination of potent and selective structures towards the NK-3 receptor, for which labeling will be envisaged. Functionalization in position 3 of quinoline-4-carboxamides, using a directed metalation reaction, allowed the introduction of various (hetero)elements (chlorine, bromine, iodine, trialkystannyle or silyle moiety). This research allowed to perform the radiosynthesis of [ 11 C]SB 222200 using a Stille coupling with [ 11 C]iodomethane. (author) [fr

Programa nacional de prevención y consejería genética del retinoblastoma mediante detección de mutaciones en el gen rb.

OpenAIRE

Frayle, H.; Guevara, G.

2011-01-01

El retinoblastoma es un raro tumor ocular que se diagnostica en los niños, 40% de los casos se consideran hereditarios y 60% esporádicos. El modelo genético propuesto por Knudson involucra
una la doble mutación inactivante del gen Rb, exclusivamente somática en los esporádicos y germinal más somática en los hereditarios. Esta investigacin tuvo como objetivo caracterizar las mutaciones en el gen Rb mediante secuenciación directa y evaluar su utilidad en la consejería genética....

Report of the eRHIC Ring-Ring Working Group

Energy Technology Data Exchange (ETDEWEB)

Aschenauer, E. C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Berg, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Blaskiewicz, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Brennan, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fedotov, A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fischer, W. [Brookhaven National Lab. (BNL), Upton, NY (United States); Litvinenko, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Montag, C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Palmer, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Parker, B. [Brookhaven National Lab. (BNL), Upton, NY (United States); Peggs, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ptitsyn, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tepikian, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Trbojevic, D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Willeke, F. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2015-10-13

This report evaluates the ring-ring option for eRHIC as a lower risk alternative to the linac-ring option. The reduced risk goes along with a reduced initial luminosity performance. However, a luminosity upgrade path is kept open. This upgrade path consists of two branches, with the ultimate upgrade being either a ring-ring or a linac-ring scheme. The linac-ring upgrade could be almost identical to the proposed linac-ring scheme, which is based on an ERL in the RHIC tunnel. This linac-ring version has been studied in great detail over the past ten years, and its significant risks are known. On the other hand, no detailed work on an ultimate performance ring-ring scenario has been performed yet, other than the development of a consistent parameter set. Pursuing the ring-ring upgrade path introduces high risks and requires significant design work that is beyond the scope of this report.

DNA-Compatible Nitro Reduction and Synthesis of Benzimidazoles.

Science.gov (United States)

Du, Huang-Chi; Huang, Hongbing

2017-10-18

DNA-encoded chemical libraries have emerged as a cost-effective alternative to high-throughput screening (HTS) for hit identification in drug discovery. A key factor for productive DNA-encoded libraries is the chemical diversity of the small molecule moiety attached to an encoding DNA oligomer. The library structure diversity is often limited to DNA-compatible chemical reactions in aqueous media. Herein, we describe a facile process for reducing aryl nitro groups to aryl amines. The new protocol offers simple operation and circumvents the pyrophoric potential of the conventional method (Raney nickel). The reaction is performed in aqueous solution and does not compromise DNA structural integrity. The utility of this method is demonstrated by the versatile synthesis of benzimidazoles on DNA.

synthesis and characterisation of quinoline functionalised

African Journals Online (AJOL)

DR. AMINU

. Accepted: ... Department of Chemistry, Kano University of Science and Technology Wudil. Email: aahmedte64@yahoo.com, ... Keywords: Nucleophilic heterocyclic carbene (NHC), Imidazolium salt, ligand, ring closure. Barf. INTRODUCTION.

Justicia en salud y genética

Directory of Open Access Journals (Sweden)

Maria Graciela De Ortuzar

2014-06-01

Full Text Available Las expectativas puestas en el conocimiento genético exceden el ámbito de la medicina tradiciona, debido a que la intervención directa en la lotería natural demandaría el replanteamiento de conceptos centrales de justicia en salud: necesidades médicas, enfermedad, normalidad, e igualdad de oportunidades en el acceso a la salud. El punto en debate es sí el replanteo de dichos conceptos conlleva un cambio radical en las teorías de justicia (libertariana y/o liberal, mostrando su obsolescencia, o sí simplemente se requiere ampliar dichos conceptos claves por fallas estructurales en las mismas teorías. Como hipótesis general considero que los supuestos cuestionamientos, lejos de socavar las bases de las teorías de justicia, sólo ponen en evidencia sus viejos problemas estructurales. Por razones expositivas, dividiré la presentación tres partes. En la Primera parte, analizo la teoría libertariana, estudiando las contradicciones del modelo a través del impacto de la información genética en el seguro privado de salud. En la Segunda Parte, desarrollo la propuesta alternativa liberal rawlsianadanielsiana del modelo de seguro público, evaluando las implicaciones de la genética a partir de la crítica de su concepto biológico de enfermedad y su restricción al acceso a la salud por necesidades naturales. En la Tercera parte presento un modelo integral de necesidades y capacidades básicas, comprendiendo la prevención, el tratamiento y el mejoramiento moralmente permisible (genético y no genético.Mi aporte principal consiste en la elaboración de este modelo normativo integral de necesidades y capacidades para la regulación conjunta de la información y terapia genética con los restantes problemas de salud.

Determination of selected azaarenes in water by bonded-phase extraction and liquid chromatography

Science.gov (United States)

Steinheimer, T.R.; Ondrus, M.G.

1986-01-01

A method for the rapid and simple quantitative determination of quinoline, isoquinoline, and five selected three-ring azaarenes in water has been developed. The azaarene fraction is separated from its carbon analogues on n-octadecyl packing material by edition with acidified water/acetonitrile. Concentration as great as 1000-fold is achieved readily. Instrumental analysis involves high-speed liquid chromatography on flexible-walled, wide-bore columns with fluorescence and ultraviolet detection at several wavelengths employing filter photometers in series. Method-validation data is provided as azaarene recovery efficiency from fortified samples. Distilled water, river water, contaminated ground water, and secondary-treatment effluent have been tested. Recoveries at part-per-billion levels are nearly quantitative for the three-ring compounds, but they decrease for quinoline and isoquinoline. ?? 1986 American Chemical Society.

Formation of nitrogen compounds from nitrogen-containing rings during oxidative regeneration of spent hydroprocessing catalysts

Energy Technology Data Exchange (ETDEWEB)

Furimsky, E.; Nielsen, M.; Jurasek, P. [CANMET, Ottawa, ON (Canada). Energy Research Laboratories

1995-05-01

Commercial CoMo and NiMo catalysts in an oxidic and sulfided form and a {gamma}-alumina were deposited with pyrrole, pyridine, and quinoline. The deposited catalysts and two spent hydroprocessing catalysts were pyrolyzed and oxidized under conditions typical of regeneration of hydroprocessing catalysts. The formation of NH{sub 3} and HCN, as well as selected cases of N{sub 2}O and NO, was monitored during the experiments. NH{sub 3} and HCN were formed during pyrolysis of pyrrole-deposited catalysts whereas only NH{sub 3} was formed during that of pyridine-and quinoline-deposited catalysts. For all deposited catalysts, both NH{sub 3} and HCN were formed during temperature programmed oxidation in 2% O{sub 2}. For spent catalysts, a small amount of N{sub 2}O was formed in 2 and 4% O{sub 2}. For pyrrole-deposited catalysts, large yields of N{sub 2}O were formed in 4% O{sub 2}. Under the same conditions, N{sub 2}O yields for pyridine- and quinoline-deposited catalysts were very small. 13 refs., 12 figs., 6 tabs.

GenBank.

OpenAIRE

Benson, D; Lipman, D J; Ostell, J

1993-01-01

The GenBank sequence database has undergone an expansion in data coverage, annotation content and the development of new services for the scientific community. In addition to nucleotide sequences, data from the major protein sequence and structural databases, and from U.S. and European patents is now included in an integrated system. MEDLINE abstracts from published articles describing the sequences provide an important new source of biological annotation for sequence entries. In addition to ...

Gen IV Materials Handbook Implementation Plan

International Nuclear Information System (INIS)

Rittenhouse, P.; Ren, W.

2005-01-01

A Gen IV Materials Handbook is being developed to provide an authoritative single source of highly qualified structural materials information and materials properties data for use in design and analyses of all Generation IV Reactor Systems. The Handbook will be responsive to the needs expressed by all of the principal government, national laboratory, and private company stakeholders of Gen IV Reactor Systems. The Gen IV Materials Handbook Implementation Plan provided here addresses the purpose, rationale, attributes, and benefits of the Handbook and will detail its content, format, quality assurance, applicability, and access. Structural materials, both metallic and ceramic, for all Gen IV reactor types currently supported by the Department of Energy (DOE) will be included in the Gen IV Materials Handbook. However, initial emphasis will be on materials for the Very High Temperature Reactor (VHTR). Descriptive information (e.g., chemical composition and applicable technical specifications and codes) will be provided for each material along with an extensive presentation of mechanical and physical property data including consideration of temperature, irradiation, environment, etc. effects on properties. Access to the Gen IV Materials Handbook will be internet-based with appropriate levels of control. Information and data in the Handbook will be configured to allow search by material classes, specific materials, specific information or property class, specific property, data parameters, and individual data points identified with materials parameters, test conditions, and data source. Details on all of these as well as proposed applicability and consideration of data quality classes are provided in the Implementation Plan. Website development for the Handbook is divided into six phases including (1) detailed product analysis and specification, (2) simulation and design, (3) implementation and testing, (4) product release, (5) project/product evaluation, and (6) product

Effects of Tranilast on the Urinary Excretion of Kynurenic and Quinolinic Acid under Conditions of L Tryptophan Loading

Directory of Open Access Journals (Sweden)

Rowland R. Noakes

2013-01-01

Full Text Available The pathogenesis of morphea and other cutaneous sclerosing disorders remain poorly understood. Although they are considered to be autoimmune disorders, abnormal tryptophan metabolism may be involved. Current therapy is directed to supressing the autoimmune response. Demonstration of a therapeutic response to manipulation of the kynurenine pathway would both support a role for abnormal tryptophan metabolism and offer additional targets for therapy. Tranilast is a 3-hydroxyanthranilic acid derivative known to target the kynurenine pathway. The aim of this study was to see if tranilast lowered the urinary excretion of the kynurenine metabolites kynurenic and quinolinic acid under condition of L tryptophan loading in a volunteer. Mean baseline value for kynurenic acid and quinolinic acid were 1.1 and 2.1 mmol/mol creatinine, respectively. This rose to 5.6 and 3.8 mmol/mol creatinine respectively under conditions of L tryptophan loading 2 grams daily. Adding 1 g of tranilast daily lowered the values to 2.0 and 2.9 mmol/mol creatinine, respectively. These data suggest that tranilast acts as a competitive inhibitor of either indoleamine 2, 3-dioxygenase (IDO, tryptophan 2, 3 di-oxygenase (TDO or both. As it involved only 1 subject, the results may not be representative of the larger population and must be considered preliminary.

In vitro efficacy of nitro- and halogeno-thiazolide/thiadiazolide derivatives against Sarcocystis neurona.

Science.gov (United States)

Gargala, G; Le Goff, L; Ballet, J J; Favennec, L; Stachulski, A V; Rossignol, J F

2009-06-10

Sarcocystis neurona is an obligate intracellular parasite that causes equine protozoal myeloencephalitis (EPM). The aim of this work was to document inhibitory activities of nitazoxanide (NTZ, [2-acetolyloxy-N-(5-nitro 2-thiazolyl) benzamide]) and new thiazolides/thiadiazolides on S. neurona in vitro development, and investigate their structure-activity relationships. S. neurona was grown in bovine turbinate cell cultures. At concentrations varying from 1.0 to 5.0mg/L, nitazoxanide and 21 of 32 second generation thiazolide/thiadiazolide agents exerted a > or =95% maximum inhibition on S. neurona development. Most active agents were either NO(2) or halogen substituted in position 5 of their thiazole moiety. In contrast, other 5-substitutions such as hydrogen, methyl, SO(2)CH(3), and CH(3) negatively impacted activity. Compared with derivatives with an acetylated benzene moiety, deacetylated compounds which most probably represent primary metabolites exhibited similar inhibitory activities. Present data provide the first evidence of in vitro inhibitory activities of nitazoxanide and new thiazolides/thiadiazolides on S. neurona development. Active halogeno-thiazolide/thiadiazolides may provide a valuable nitro-free alternative to nitazoxanide for EPM treatment depending on further evaluation of their in vivo activities.

Algoritmos para genómica comparativa

OpenAIRE

Figueiras, Vasco da Rocha

2010-01-01

Com o surgimento da Genómica e da Proteómica, a Bioinformática conduziu a alguns dos avanços científicos mais relevantes do século XX. A Unidade de Investigação e Desenvolvimento do Biocant, parque biotecnológico de Cantanhede, assume actualmente o papel de motor no desenvolvimento da Genómica. O Biocant possui um importante sequenciador de larga escala que permite armazenar um elevado número de genomas, nomeadamente, genomas de bactérias. O estudo proposto reflecte a necessidade do Bio...

Quinoline-Flanked Diketopyrrolopyrrole Copolymers Breaking through Electron Mobility over 6 cm2 V-1 s-1 in Flexible Thin Film Devices.

Science.gov (United States)

Ni, Zhenjie; Dong, Huanli; Wang, Hanlin; Ding, Shang; Zou, Ye; Zhao, Qiang; Zhen, Yonggang; Liu, Feng; Jiang, Lang; Hu, Wenping

2018-03-01

Herein, the design and synthesis of novel π-extended quinoline-flanked diketopyrrolopyrrole (DPP) [abbreviated as QDPP] motifs and corresponding copolymers named PQDPP-T and PQDPP-2FT for high performing n-type organic field-effect transistors (OFETs) in flexible organic thin film devices are reported. Serving as DPP-flankers in backbones, quinoline is found to effectively tune copolymer optoelectric properties. Compared with TDPP and pyridine-flanked DPP (PyDPP) analogs, widened bandgaps and strengthened electron deficiency are achieved. Moreover, both hole and electron mobility are improved two orders of magnitude compared to those of PyDPP analogs (PPyDPP-T and PPyDPP-2FT). Notably, featuring an all-acceptor-incorporated backbone, PQDPP-2FT exhibits electron mobility of 6.04 cm 2 V -1 s -1 , among the highest value in OFETs fabricated on flexible substrates to date. Moreover, due to the widened bandgap and strengthened electron deficiency of PQDPP, n-channel on/off ratio over 10 5 with suppressed hole transport is first realized in the ambipolar DPP-based copolymers. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

International Nuclear Information System (INIS)

Pirali, O.; Gruet, S.; Kisiel, Z.; Goubet, M.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

2015-01-01

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C 9 H 7 N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν 45 and ν 44 vibrational modes (located at about 168 cm −1 and 178 cm −1 , respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

Science.gov (United States)

Pirali, O.; Kisiel, Z.; Goubet, M.; Gruet, S.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

2015-03-01

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C9H7N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν45 and ν44 vibrational modes (located at about 168 cm-1 and 178 cm-1, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

Energy Technology Data Exchange (ETDEWEB)

Pirali, O.; Gruet, S. [AILES Beamline, Synchrotron SOLEIL, l’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette cedex (France); Institut des Sciences Moléculaires d’Orsay, UMR8214 CNRS – Université Paris-Sud, Bât. 210, 91405 Orsay cedex (France); Kisiel, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Goubet, M. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille 1, Bâtiment P5, F-59655 Villeneuve d’Ascq Cedex (France); Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G. [Laboratoire de Physico-Chimie de l’Atmosphère, EA-4493, Université du Littoral – Côte d’Opale, 59140 Dunkerque (France)

2015-03-14

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C{sub 9}H{sub 7}N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν{sub 45} and ν{sub 44} vibrational modes (located at about 168 cm{sup −1} and 178 cm{sup −1}, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

Medicamentos genéricos y de marca-Calidad e intercambiabilidad

Directory of Open Access Journals (Sweden)

Rua F.

2012-03-01

Full Text Available El interés por los medicamentos genéricos procede de la necesidad de los sistemas sanitarios de reducir la factura sanitaria sin merma de los objetivos de salud. Su expansión y uso requieren la aceptación de la población y de los profesionales. También requieren que se despejen algunas dudas sobre su verdadera equivalencia respecto a los medicamentos originales. Desde su introducción en el mercado farmacéutico existe el debate de si son correctamente investigados y de alta calidad. No son infrecuentes los conceptos equivocados entre los profesionales sobre los genéricos, en especial, el supuesto hecho de que pueden llegar a contener hasta un 20% menos de concentración en principio activo. Estas creencias erróneas sugieren una situación de desventaja en la eficacia y la tolerabilidad de los medicamentos genéricos comparados con sus equivalentes de marca, disminuyendo la credibilidad de los mismos. Así, en una encuesta realizada en 2008 los farmacéuticos opinaron que los genéricos y las marcas son diferentes en eficacia (26%, equivalencia (28% y, sobre todo, en la calidad del excipiente (46%, aumentando la percepción de que los genéricos son diferentes en función del laboratorio que los fabrica (52,8%. En este artículo, con el fin de ampliar los conocimientos sobre medicamentos genéricos, solucionar dudas y proporcionar información, objetiva, clara y rigurosa, se revisan los posibles prejuicios sobre genéricos y se exponen las evidencias que existen en torno a los mismos, como los requisitos de bioequivalencia de los productos genéricos, analizando si ésta corrobora adecuadamente la equivalencia terapéutica y de intercambio.

Hard work and perseverance lead to success

Indian Academy of Sciences (India)

Lawrence

enrolled for MSc to do research in botany under the guidance of. Prof. Ella Gonzalves. ... such as metabolic products of algae, drainage water algae, nitro- gen-fixing algae in ... can be used as food, manure, and as a source of oil, as we had.

Sobre el significado del descubrimiento del gen FOXP2

OpenAIRE

Longa Martínez, Víctor Manuel

2006-01-01

El reciente descubrimiento del gen FOXP2 ha ofrecido la primera evidencia clara de la base genética del lenguaje, mostrando una correlación inequívoca desde la perspectiva genética entre una versión mutada de F0XP2 y los trastornos lingüísticos de diferente tipo sufridos por una familia inglesa, conocida como KE. El objetivo central del presente trabajo es discutir diferentes aspectos relacionados con tal descubrimiento; especialmente, la discusión del significado de FOXP2 con ...

Plant peroxisomes: A nitro-oxidative cocktail

Directory of Open Access Journals (Sweden)

Francisco J. Corpas

2017-04-01

Full Text Available Although peroxisomes are very simple organelles, research on different species has provided us with an understanding of their importance in terms of cell viability. In addition to the significant role played by plant peroxisomes in the metabolism of reactive oxygen species (ROS, data gathered over the last two decades show that these organelles are an endogenous source of nitric oxide (NO and related molecules called reactive nitrogen species (RNS. Molecules such as NO and H2O2 act as retrograde signals among the different cellular compartments, thus facilitating integral cellular adaptation to physiological and environmental changes. However, under nitro-oxidative conditions, part of this network can be overloaded, possibly leading to cellular damage and even cell death. This review aims to update our knowledge of the ROS/RNS metabolism, whose important role in plant peroxisomes is still underestimated. However, this pioneering approach, in which key elements such as β-oxidation, superoxide dismutase (SOD and NO have been mainly described in relation to plant peroxisomes, could also be used to explore peroxisomes from other organisms.

Distributed Generation Market Demand Model (dGen): Documentation

Energy Technology Data Exchange (ETDEWEB)

Sigrin, Benjamin [National Renewable Energy Lab. (NREL), Golden, CO (United States); Gleason, Michael [National Renewable Energy Lab. (NREL), Golden, CO (United States); Preus, Robert [National Renewable Energy Lab. (NREL), Golden, CO (United States); Baring-Gould, Ian [National Renewable Energy Lab. (NREL), Golden, CO (United States); Margolis, Robert [National Renewable Energy Lab. (NREL), Golden, CO (United States)

2016-02-01

The Distributed Generation Market Demand model (dGen) is a geospatially rich, bottom-up, market-penetration model that simulates the potential adoption of distributed energy resources (DERs) for residential, commercial, and industrial entities in the continental United States through 2050. The National Renewable Energy Laboratory (NREL) developed dGen to analyze the key factors that will affect future market demand for distributed solar, wind, storage, and other DER technologies in the United States. The new model builds off, extends, and replaces NREL's SolarDS model (Denholm et al. 2009a), which simulates the market penetration of distributed PV only. Unlike the SolarDS model, dGen can model various DER technologies under one platform--it currently can simulate the adoption of distributed solar (the dSolar module) and distributed wind (the dWind module) and link with the ReEDS capacity expansion model (Appendix C). The underlying algorithms and datasets in dGen, which improve the representation of customer decision making as well as the spatial resolution of analyses (Figure ES-1), also are improvements over SolarDS.

Revision of Corallinaceae (Corallinales, Rhodophyta): recognizing Dawsoniolithon gen. nov., Parvicellularium gen. nov. and Chamberlainoideae subfam. nov. containing Chamberlainium gen. nov. and Pneophyllum.

Science.gov (United States)

Caragnano, Annalisa; Foetisch, Alexandra; Maneveldt, Gavin W; Millet, Laurent; Liu, Li-Chia; Lin, Showe-Mei; Rodondi, Graziella; Payri, Claude E

2018-03-25

A multi-gene (SSU, LSU, psbA and COI) molecular phylogeny of the family Corallinaceae (excluding the subfamilies Lithophylloideae and Corallinoideae) showed a paraphyletic grouping of six monophyletic clades. Pneophyllum and Spongites were reassessed and recircumscribed using DNA sequence data integrated with morpho-anatomical comparisons of type material and recently collected specimens. We propose Chamberlainoideae subfam. nov., including the type genus Chamberlainium gen. nov., with C. tumidum comb. nov. as the generitype, and Pneophyllum. Chamberlainium is established to include several taxa previously ascribed to Spongites, the generitype of which currently resides in Neogoniolithoideae. Additionally we propose two new genera, Dawsoniolithon gen. nov. (Metagoniolithoideae), with D. conicum comb. nov. as the generitype and Parvicellularium gen. nov. (subfamily incertae sedis), with P. leonardi sp. nov. as the generitype. Chamberlainoideae has no diagnostic morpho-anatomical features that enable one to assign specimens to it without DNA sequence data, and it is the first subfamily to possess both Type 1 (Chamberlainium) and Type 2 (Pneophyllum) tetra/bisporangial conceptacle roof development. Two characters distinguish Chamberlainium from Spongites: tetra/biasporangial conceptacle chamber diameter (300 μm in Spongites) and tetra/bisporangial conceptacle roof thickness (8 cells in Spongites). Two characters also distinguish Pneophyllum from Dawsoniolithon: tetra/bisporangial conceptacle roof thickness (8 cells in Dawsoniolithon) and thallus construction (dimerous in Pneophyllum vs. monomerous in Dawsoniolithon). This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Nitro-polycyclic aromatic hydrocarbons - gas-particle partitioning, mass size distribution, and formation along transport in marine and continental background air

Science.gov (United States)

Lammel, Gerhard; Mulder, Marie D.; Shahpoury, Pourya; Kukučka, Petr; Lišková, Hana; Přibylová, Petra; Prokeš, Roman; Wotawa, Gerhard

2017-05-01

Nitro-polycyclic aromatic hydrocarbons (NPAH) are ubiquitous in polluted air but little is known about their abundance in background air. NPAHs were studied at one marine and one continental background site, i.e. a coastal site in the southern Aegean Sea (summer 2012) and a site in the central Great Hungarian Plain (summer 2013), together with the parent compounds, PAHs. A Lagrangian particle dispersion model was used to track air mass history. Based on Lagrangian particle statistics, the urban influence on samples was quantified for the first time as a fractional dose to which the collected volume of air had been exposed. At the remote marine site, the 3-4-ring NPAH (sum of 11 targeted species) concentration was 23.7 pg m-3 while the concentration of 4-ring PAHs (6 species) was 426 pg m-3. The most abundant NPAHs were 2-nitrofluoranthene (2NFLT) and 3-nitrophenanthrene. Urban fractional doses in the range of air are the lowest ever reported and remarkably lower, by more than 1 order of magnitude, than 1 decade before. Day-night variation of NPAHs at the continental site reflected shorter lifetime during the day, possibly because of photolysis of some NPAHs. The yields of formation of 2NFLT and 2-nitropyrene (2NPYR) in marine air seem to be close to the yields for OH-initiated photochemistry observed in laboratory experiments under high NOx conditions. Good agreement is found for the prediction of NPAH gas-particle partitioning using a multi-phase poly-parameter linear free-energy relationship. Sorption to soot is found to be less significant for gas-particle partitioning of NPAHs than for PAHs. The NPAH levels determined in the south-eastern outflow of Europe confirm intercontinental transport potential.

Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.

Science.gov (United States)

Nilsson, Zach N; Mandella, Brian L; Sen, Kakali; Kekilli, Demet; Hough, Michael A; Moënne-Loccoz, Pierre; Strange, Richard W; Andrew, Colin R

2017-11-06

Nitrite coordination to heme cofactors is a key step in the anaerobic production of the signaling molecule nitric oxide (NO). An ambidentate ligand, nitrite has the potential to coordinate via the N- (nitro) or O- (nitrito) atoms in a manner that can direct its reactivity. Distinguishing nitro vs nitrito coordination, along with the influence of the surrounding protein, is therefore of particular interest. In this study, we probed Fe(III) heme-nitrite coordination in Alcaligenes xylosoxidans cytochrome c' (AXCP), an NO carrier that excludes anions in its native state but that readily binds nitrite (K d ∼ 0.5 mM) following a distal Leu16 → Gly mutation to remove distal steric constraints. Room-temperature resonance Raman spectra (407 nm excitation) identify ν(Fe-NO 2 ), δ(ONO), and ν s (NO 2 ) nitrite ligand vibrations in solution. Illumination with 351 nm UV light results in photoconversion to {FeNO} 6 and {FeNO} 7 states, enabling FTIR measurements to distinguish ν s (NO 2 ) and ν as (NO 2 ) vibrations from differential spectra. Density functional theory calculations highlight the connections between heme environment, nitrite coordination mode, and vibrational properties and confirm that nitrite binds to L16G AXCP exclusively through the N atom. Efforts to obtain the nitrite complex crystal structure were hampered by photochemistry in the X-ray beam. Although low dose crystal structures could be modeled with a mixed nitrite (nitro)/H 2 O distal population, their photosensitivity and partial occupancy underscores the value of the vibrational approach. Overall, this study sheds light on steric determinants of heme-nitrite binding and provides vibrational benchmarks for future studies of heme protein nitrite reactions.

Biometria e armazenamento de sementes de genótipos de cacaueiro

Directory of Open Access Journals (Sweden)

Lucimara Ribeiro Venial

2017-03-01

Full Text Available Genótipos de Theobroma cacao L. devem ser melhor estudados, para se identificar aqueles que produzem sementes mais desenvolvidas e viáveis após o armazenamento. Objetivou-se com este trabalho estudar a biometria e dois tempos de armazenamento de sementes de genótipos de cacaueiro. A biometria foi avaliada em oito genótipos de cacaueiro (tratamentos. Foram instalados testes de germinação em delineamento inteiramente ao acaso, no esquema fatorial 8 x 2 (genótipos: CCN51, PH16, CEPEC2002, Ipiranga, SJ02, PS1319, TSH1188 e Comum x dois períodos de armazenamento: 0 e dois dias. O genótipo TSH1188 apresentou maior comprimento, relação comprimento/largura, espessura e massa de 100 sementes. A absorção de água das sementes recém-colhidas dos genótipos é lenta, justificada pelos altos teores de água, o que não caracteriza padrão-trifásico. Os teores de água reduziram em média 2,3 vezes nas sementes armazenadas em relação às recém-colhidas. A germinação das sementes recém-colhidas dos genótipos foi de 100%. Após o armazenamento, as sementes do PS1319 apresentaram a menor redução da germinação (39%, enquanto as dos PH16, CEPEC2002 e SJ02 reduziram 96%. A velocidade de germinação foi maior e o tempo médio menor que dois dias nas sementes recém-colhidas do PS1319, indicando serem mais tolerante à dessecação. Sugere-se o uso dos genótipos TSH1188 e PS1319 em programas de melhoramento genético.

Atmospheric oxidation of N-PAC and nitro substituted N-PAC in water droplets

DEFF Research Database (Denmark)

Feilberg, A.; Holcman, J.; Nielsen, T.

1999-01-01

A pulse radiolysis technique was used to study the formation of OH-adducts of quinoline (Q) and 5-nitroquinoline (5NQ) and the subsequent reactions of the OH-adducts with O-2 in both acidic and alkaline aqueous solution. The rate constants in alkaline solution were: k(Q+OH) = (9.0+/-1.0)lozenge 10...... with OH in water droplets in the atmosphere is less than 1 hour. It is estimated that the degradation of Q is accelerated in the presence of aqueous droplets with comparable contributions from aqueous and gas phase chemistry at neutral pH. Under acidic conditions the aqueous phase degradation is predicted...

ASSOCIATIVE RINGS SOLVED AS LIE RINGS

Directory of Open Access Journals (Sweden)

M. B. Smirnov

2011-01-01

Full Text Available The paper has proved that an associative ring which is solvable of a n- class as a Lie ring has a nilpotent ideal of the nilpotent class not more than 3×10n–2  and a corresponding quotient ring satisfies an identity [[x1, x2, [x3, x4

Enfermedades genéticas más frecuentes en pacientes atendidos en consulta de genética clínica

Directory of Open Access Journals (Sweden)

Elibett Carcasés Carcasés

2015-02-01

Full Text Available La estimación de la prevalencia de las enfermedades genéticas se dificulta, entre otras causas, por su rareza. Se realizó un estudio descriptivo retrospectivo, para identificar las enfermedades genéticas de mayor prevalencia en pacientes atendidos por este programa en el Centro Provincial de Genética Médica de Las Tunas, Cuba; desde el año 1989 hasta julio de 2014. Se revisaron todas las historias clínicas. Predominó el origen monogénico (69 %, siendo los síndromes dismórficos los más numerosos y diversos, entre ellos los neurocutáneos, que representaron el 35 %. La enfermedad genética monogénica con mayor número de casos fue la Neurofibromatosis I con el 14,4 % y el 22,2 % de las enfermedades eran de origen monogénico y dismórfico. La Trisomía 21 representó el 77 % de la causa cromosómica. En el origen multifactorial prevalecieron los defectos congénitos mayores, entre ellos los defectos reductivos de miembros (27 %

Synthesis and antibacterial activity of novel Pyrazolo [3, 4-B] quinoline based heterocyclic azo compounds and their dyeing performance

International Nuclear Information System (INIS)

Thaokar, Sanjay F.; Patel, Dinesh M.; Patel, Manish P.; Patel, Ranjan G.

2007-01-01

3-Amino-6-methyl-1H- pyrazolo [3, 4-B] quinoline was synthesized in good yield. Monoazo compounds were prepared using this intermediate as diazo component with various heterocyclic coupling components. All the azo compounds were characterized by their percentage yield, melting point, elemental analysis, UV-visible spectra, IR-spectra and dyeing performance on nylon and polyester fibres and by their antibacterial activity against gram positive and gram negative bacteria. (author)

Di-μ-cyanido-tetra­cyanido(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

Science.gov (United States)

Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

2013-01-01

The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3]− anion, half a [Ni(teta)]2+ cation and two partially occupied inter­stitial water mol­ecules [qcq− is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]. In the complex mol­ecule, two [Fe(qcq)(CN)3]− anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni2+ cation lying on an inversion centre. The two inter­stitial water mol­ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O—H⋯O and O—H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010). PMID:23723777

From AWE-GEN to AWE-GEN-2d: a high spatial and temporal resolution weather generator

Science.gov (United States)

Peleg, Nadav; Fatichi, Simone; Paschalis, Athanasios; Molnar, Peter; Burlando, Paolo

2016-04-01

A new weather generator, AWE-GEN-2d (Advanced WEather GENerator for 2-Dimension grid) is developed following the philosophy of combining physical and stochastic approaches to simulate meteorological variables at high spatial and temporal resolution (e.g. 2 km x 2 km and 5 min for precipitation and cloud cover and 100 m x 100 m and 1 h for other variables variable (temperature, solar radiation, vapor pressure, atmospheric pressure and near-surface wind). The model is suitable to investigate the impacts of climate variability, temporal and spatial resolutions of forcing on hydrological, ecological, agricultural and geomorphological impacts studies. Using appropriate parameterization the model can be used in the context of climate change. Here we present the model technical structure of AWE-GEN-2d, which is a substantial evolution of four preceding models (i) the hourly-point scale Advanced WEather GENerator (AWE-GEN) presented by Fatichi et al. (2011, Adv. Water Resour.) (ii) the Space-Time Realizations of Areal Precipitation (STREAP) model introduced by Paschalis et al. (2013, Water Resour. Res.), (iii) the High-Resolution Synoptically conditioned Weather Generator developed by Peleg and Morin (2014, Water Resour. Res.), and (iv) the Wind-field Interpolation by Non Divergent Schemes presented by Burlando et al. (2007, Boundary-Layer Meteorol.). The AWE-GEN-2d is relatively parsimonious in terms of computational demand and allows generating many stochastic realizations of current and projected climates in an efficient way. An example of model application and testing is presented with reference to a case study in the Wallis region, a complex orography terrain in the Swiss Alps.

EPCGen2 Pseudorandom Number Generators: Analysis of J3Gen

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Alberto Peinado

2014-04-01

Full Text Available This paper analyzes the cryptographic security of J3Gen, a promising pseudo random number generator for low-cost passive Radio Frequency Identification (RFID tags. Although J3Gen has been shown to fulfill the randomness criteria set by the EPCglobal Gen2 standard and is intended for security applications, we describe here two cryptanalytic attacks that question its security claims: (i a probabilistic attack based on solving linear equation systems; and (ii a deterministic attack based on the decimation of the output sequence. Numerical results, supported by simulations, show that for the specific recommended values of the configurable parameters, a low number of intercepted output bits are enough to break J3Gen. We then make some recommendations that address these issues.

Introducing AstroGen: The Astronomy Genealogy Project

OpenAIRE

Tenn, Joseph S.

2016-01-01

The Astronomy Genealogy Project ("AstroGen"), a project of the Historical Astronomy Division of the American Astronomical Society (AAS), will soon appear on the AAS website. Ultimately, it will list the world's astronomers with their highest degrees, theses for those who wrote them, academic advisors (supervisors), universities, and links to the astronomers or their obituaries, their theses when on-line, and more. At present the AstroGen team is working on those who earned doctorates with ast...

Genética humana e sociedade

OpenAIRE

Rosa, Vivian Leyser da

2000-01-01

Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências da Educação. Análise do campo de estudos sobre o entendimento público da ciência, distinguindo os modelos de deficit cognitivo e interativo, bem como suas implicações na esfera educacional. Estudo do panorama dos avanços atuais da genética humana, do ponto de vista científico, ético e social. Análise de aspectos relativos ao ensino de genética humana nos cursos de graduação da área da saúde, em nove Universidades...

Fast analysis of 29 polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs with ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry

Science.gov (United States)

Lung, Shih-Chun Candice; Liu, Chun-Hu

2015-01-01

Polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs are ubiquitous in the environment. Some of them are probable carcinogens and some are source markers. This work presents an ultra-high performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry (UHPLC-APPI-MS/MS) method for simultaneous analysis of 20 PAHs and nine nitro-PAHs. These compounds are separated in 15 minutes in the positive mode and 11 minutes in the negative mode, one half of GC/MS analysis time. Two pairs of precursor/product ions are offered, which is essential for confirmation. This method separates and quantifies benzo[a]pyrene (the most toxic PAHs) and non-priority benzo[e]pyrene (isomers, little toxicity) to avoid overestimation of toxin levels, demonstrating its importance for health-related researches. With 0.5% 2,4-difluoroanisole in chlorobenzene as the dopant, limits of detection of PAHs except acenaphthylene and those of nitro-PAHs except 2-nitrofluoranthene are below 10 pg and 3 pg, respectively, mostly lower than or comparable to those reported using LC-related systems. The responses were linear over two orders of magnitude with fairly good accuracy and precision. Certified reference materials and real aerosol samples were analyzed to demonstrate its applicability. This fast, sensitive, and reliable method is the first UHPLC-APPI-MS/MS method capable of simultaneously analyzing 29 environmentally and toxicologically important PAHs and nitro-PAHs. PMID:26265155

Manipulación genética de seres humanos

OpenAIRE

Manuel Santos Alcántara

2006-01-01

El gran avance que ha tenido la Genética en los últimos años y, particularmente, aquello relacionado con el desciframiento del genoma humano, ha traído a la discusión pública la posibilidad concreta de manipular genéticamente a los seres humanos. El mejoramiento o perfeccionamiento genético de los seres humanos, denominado eugenesia, actualmente se ha convertido técnicamente en una realidad, motivando una profunda reflexión de tipo ético. La pregunta básica es la siguiente: aquello que es téc...

FORMATION OF NITRO MUSK ADDUCTS OF RAINBOW TROUT HEMOGLOBIN FOR POTENTIAL USE AS BIOMARKERS OF EXPOSURE

Science.gov (United States)

The high use of nitro musk xylene (MX) and musk ketone (MK) as fragrances, and their persistence and bioaccumulation potential make them ubiquitous environmental contaminants. The 4-amino-MX (AMX) and 2-amino-MK (AMK) metabolites have been detected in trout fish hemoglobin (Hb) s...

Mutation analysis of COL4A3 and COL4A4 genes in a Chinese ...

Indian Academy of Sciences (India)

Liwei Guo

2017-06-17

Jun 17, 2017 ... IV collagen α5 chain are generally believed to cause X- linked AS (XLAS, OMIM: ... and male patients showed a high clinical variability, and a clear-cut ... serum creatinine was 146 μmol/L and blood urea nitro- gen was 8.64 ...

Investigation of the effect of cucurbit[7]uril complexation on the photophysical and acid-base properties of the antimalarial drug quinine.

Science.gov (United States)

Mallick, Suman; Pal, Kaushik; Chandra, Falguni; Koner, Apurba L

2016-11-09

Host-guest complexation of mono and dicationic quinine with cucurbit[7]uril (CB7), a water-soluble macrocyclic host molecule, has been investigated. Job's plot, time-resolved anisotropy as well as concentration dependent NMR titration confirm the binding of two CB7 macrocycles with one quinine molecule. The binding affinity of dicationic quinine with CB7 is one order of magnitude higher than the binding constant of mono-cationic quinine. Such preferential binding results in one unit pK a shift in the ground-state of the quinoline ring. However, using fluorescence spectroscopy we have obtained two acid-dissociation constants, one for quinoline ring nitrogen and the other for the nitrogen of the quinuclidine moiety. In the excited state, CB7 complexation causes one unit pK a shift for the quinoline ring and 1.9 unit shift for the quinuclidine moiety. Interestingly, a large enhancement of fluorescence lifetime and anisotropy of quinine at pH 2.7 and pH 9.0 upon CB7 complexation was observed due to the restriction of conformational flexibility. Moreover, at pH 3.0, a large fluorescence enhancement of quinine due to CB7 complexation was observed and it was quite significant as compared to that of quinine in 0.1 (M) HCl without CB7. We believe that this study of quinine complexation with CB7 will reduce phototoxicity, increase bioavailability and offer an alternative standard for quantum yield measurements in an amiable condition.

Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-ylmethyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate

Directory of Open Access Journals (Sweden)

Chuan-wen Sun

2010-06-01

Full Text Available In the title compound, C11H15ClN6O4S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07 (7°] and the thiazole ring are oriented at a dihedral angle of 69.62 (8°. A classical intramolecular N—H...O hydrogen bond is found in the molecular structure. Moreover, one classical intermolecular N—H...N and four non-classical C—H...O and C—H...N hydrogen bonds are also present in the crystal structure. Besides intermolecular hydrogen bonds, the Cl atom forms an intermolecular short contact [3.020 (2 Å] with one of the nitro O atoms.

Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

International Nuclear Information System (INIS)

Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V

2009-01-01

Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

Energy Technology Data Exchange (ETDEWEB)

Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V [Kazan State Technological University, Kazan (Russian Federation)

2009-10-31

Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

Investigation of the extraction equilibrium of ternary ionassociation complex of thallium(III) with iodo-nitro-tetrazolium chlorid

International Nuclear Information System (INIS)

Alexandrov, A.; Dimitrov, A.

1976-01-01

The extraction equilibrium of the ternary ion-association complex of iodo-nitro-tetrazolium [3-(4-iodophenyl)2-(4-nitrophenyl)-5-phenyltetrazolium chloride] with the chlorocomplex of thallium(III) is investigated radiochemically. The molar ratio of the ion-associate is found to be 1:1, the association constant has a value of 3.2x10 3 in aqueous solution and the distribution constant is 8.9. The extraction constant which gives a quantitative characterization of the equilibrium is 2.3x10 4 . From the investigation performed it can be concluded that a quite satisfactory extraction of thallium(III) by means of iodo-nitro-tetrazole in benzene can be carried out. The extraction constant has a relatively high value which allows to use this system conveniently for the extraction-photometric determination of thallium(III). (T.C.)

Mapping Ring Particle Cooling across Saturn's Rings with Cassini CIRS

Science.gov (United States)

Brooks, Shawn M.; Spilker, L. J.; Edgington, S. G.; Pilorz, S. H.; Deau, E.

2010-10-01

Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and quick temperature responses are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid, coherent particles can be expected to have higher thermal inertias (Ferrari et al. 2005). Cassini's Composite Infrared Spectrometer has recorded millions of spectra of Saturn's rings since its arrival at Saturn in 2004 (personal communication, M. Segura). CIRS records far infrared radiation between 10 and 600 cm-1 (16.7 and 1000 µm) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn's rings peaks in this wavelength range. FP1 spectra can be used to infer ring temperatures. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The thermal budget of the rings is dominated by the solar radiation absorbed by its constituent particles. When ring particles enter Saturn's shadow this source of energy is abruptly cut off. As a result, ring particles cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

Estudio molecular del gen MLL en 30 pacientes con leucemias agudas Molecular study of MLL gen in 30 patients with acute leukemias

Directory of Open Access Journals (Sweden)

Raquel Levón Herrera

2000-04-01

Full Text Available Los reordenamientos del gen MLL en la banda cromosómica 11q23 son frecuentes en leucemias agudas (LA en niños y en las LA secundarias desarrolladas después de la terapia con inhibidores de la enzima topoisomerasa II. En menor medida también se aprecia en adultos con LA. La presencia de estos reordenamientos se considera un indicador de mal pronóstico asociado con resultados clínicos desfavorables, por ello es muy importante realizar su determinación en las LA. En este trabajo mostramos los resultados preliminares de la introducción del estudio del gen MLL en nuestro país mediante la técnica de Southern. Analizamos ADN de 30 pacientes con LA, incluidos niños y adultos, que en el momento del estudio se encontraban al debut o en recaída. El estudio molecular se realizó con la sonda FA4, que es un inserto genómico del gen MLL. Sólo uno de los 30 pacientes mostró bandas de reordenamiento con 2 enzimas de restricción diferentes, el resto mostró el gen MLL en configuración germinal. Es interesante destacar que el paciente con el reordenamiento era un niño con leucemia mieloblástica aguda subtipo M5b, lo cual concuerda con la literatura, donde se describe que estos reordenamientos están estrechamente correlacionados con los subtipos mielomonocítico (M4 y monocítico (M5 de leucemia mieloide aguda (LMARearrangements of MLL gen in llq23 chromosomal band are frequents in childhood type of acute leukemia (AL and in secondary AL, developed after therapy with II topoisomerase enzyme. To a lesser extent also is seen in adults with AL. Presence of theses rearrangements is considered to be a worse prognosis indicator, associated with unfavourable clinical results, that is why it is very important to carry our its assessment in AL. In this paper authors present preliminary results from introduction of study on MLL gen in our country through Southern technique. DNA from 30 patients was analized, including children and adults, that at the

A NEW METHOD FOR PREPARING 6-NITRO-2-(4-BOC-PIPERAZIN-1-YL-3H-QUINAZOLIN-4-ONE

Directory of Open Access Journals (Sweden)

A. Yu. Kornylov

2017-11-01

Full Text Available The 2-amino-3H-quinazolin-4-one scaffold is found in a large number of molecules with physiological significance and pharmaceutical utility. Previously we synthesized a series of potent antagonists of fibrinogen receptor, derivatives of 2-(piperazin-1-yl-3H-quinazolin-4-one. The key building block for preparing the above series of compounds is 6-amino-2-(4-Boc-piperazin-1-yl-3H-quinazolin-4-one, which was synthesized by hydrogenation of 6-nitro-2-(4-Boc-piperazin-1-yl-3H-quinazolin-4-one. In turn, the nitro derivative was obtained starting from isatoic anhydride in four stages, by a method that can be considered classical, but difficult. The purpose of this work is to simplify the preparation of 6-nitro-2-(4-Boc-piperazin-1-yl-3H-quinazolin-4-one. We proposed an effective method for the synthesis of 6-nitro-2-(4-Boc-piperazin-1-yl-3H-quinazolin-4-one based on a sequential process, C-N cross-coupling and intramolecular amidation. As the arylhalogenide, 2-bromo-5-nitrobenzoic acid methyl ester was used, as the N-nucleophile, 4-Boc-piperazine-1-carboxamidine, a guanidine derivative, was used. In the study, we used two types of catalytic systems, which both gave good results. The application of the third generation of Palladacycleprecatalyst –[(4,5-Bis(diphenylphosphino-9,9-dimethylxanthene-2-(2′-amino-1,1′-biphenyl] palladium(II methanesulfonate, leads to the production of the target product in a high yield, in comparison with the use of the catalytic system: precatalyst – Tris(dibenzylideneacetone dipalladium(0 chloroform adduct and Buchwald Ligands – 4,5-Bis(diphenylphosphino-9,9-dimethylxanthene. The structure of the title compound was confirmed by spectroscopy 1H and 13C NMR, and FAB mass spectrometry methods, purity was controlled by HPLC. This method has potential implications for the design of various 2-amino-3H-quinazolin-4-ones.

Silica sulfuric acid and as an efficient catalyst for the Friedlander quinoline synthesis from simple ketones and ortho - amino aryl ketones under microwave irradiation

International Nuclear Information System (INIS)

Zolfigol, M. A.; Salehi, P.; Shiri, M.; Faal Rastegar, T.; Ghaderi, A.

2008-01-01

The synthesis of quinoline derivatives via Friedlander method from ortho-amino aryl ketones in the presence of a catalytic amount of silica sulfuric acid under solvent-free condition and microwave irradiation was described. A good range of simple ketones such as cyclohexanone and deoxybenzoin were used

Molecular modeling of the voltammetric oxidation at a glassy carbon electrode of the antimalarial drug primaquine and its prodrugs succinylprimaquine and maleylprimaquine

Energy Technology Data Exchange (ETDEWEB)

La-Scalea, Mauro A [Lapen, Laboratorio de Planejamento e Sintese de Quimioterapicos Potencialmente Ativos Contra Endemias Tropicais, Departamento de Farmacia, Faculdade de Ciencias Farmaceuticas, Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 580 Bl. 13 sup., 05508-900 Sao Paulo (Brazil); Menezes, Carla M.S. [Lapen, Laboratorio de Planejamento e Sintese de Quimioterapicos Potencialmente Ativos Contra Endemias Tropicais, Departamento de Farmacia, Faculdade de Ciencias Farmaceuticas, Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 580 Bl. 13 sup., 05508-900 Sao Paulo (Brazil); Matsutami, Guilherme C [Lapen, Laboratorio de Planejamento e Sintese de Quimioterapicos Potencialmente Ativos Contra Endemias Tropicais, Departamento de Farmacia, Faculdade de Ciencias Farmaceuticas, Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 580 Bl. 13 sup., 05508-900 Sao Paulo (Brazil); Polli, Michelle C [Lapen, Laboratorio de Planejamento e Sintese de Quimioterapicos Potencialmente Ativos Contra Endemias Tropicais, Departamento de Farmacia, Faculdade de Ciencias Farmaceuticas, Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 580 Bl. 13 sup., 05508-900 Sao Paulo (Brazil); Serrano, Silvia H.P. [Departamento de Quimica Fundamental, Instituto de Quimica, Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 748 Bl. 2 sup., 05508-90 Sao Paulo (Brazil); Ferreira, Elizabeth I [Lapen, Laboratorio de Planejamento e Sintese de Quimioterapicos Potencialmente Ativos Contra Endemias Tropicais, Departamento de Farmacia, Faculdade de Ciencias Farmaceuticas, Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 580 Bl. 13 sup., 05508-900 Sao Paulo (Brazil)

2006-07-15

The 8-aminoquinoline primaquine (PQ) is the only antimalarial drug used as tissue schizonticide and relapsing malaria. Antichagasic activity was also reported. Nevertheless, as it also shows serious side effects, prodrugs such as succinyl and maleyl derivatives have been proposed to decrease its toxicity. Although PQ mechanism of action has not been completely elucidated, the promotion of oxidative stress is an advanced hypothesis that could explain its activity in both plasmodia and trypanosome parasites. The oxidation of PQ and its prodrugs, maleylprimaquine (MPQ) and succinylprimaquine (SPQ), was studied by cyclic voltammetry using glassy carbon electrode. All compounds were oxidized in aqueous medium, with the charge transfer process being pH-dependent in acidic medium and pH-independent in a weak basic medium, being the neutral form more easily oxidized. This indicated that the protonation of the nitrogen atoms displays a determinant role in the voltammetric oxidation, being both prodrugs more easily oxidized than PQ protonated forms, in the order: SPQ < MPQ < PQ. For a better understanding of this behavior, a molecular modeling study was performed using the AM1 semi-empirical method from Spartan 04 for Linux (v.119, Wavefunction Inc.). The medium pH showed to be fundamental not only to the electronic density of the quinoline ring but also to the rearrangement of the nitrogen side chain. The electronic density of primaquine non-protonated quinoline ring is higher than that in its protonated and diprotonated species. Also, the use of prodrugs and the degree of saturation of the carriers (maleic or succinic acid) interfere with this feature. SPQ and MPQ have a slight increase in the quinoline electronic density in comparison to PQ. Nevertheless, the carrier in the side chain of SPQ is closer to the quinoline ring than it is in MPQ, which accounts for the higher electronic density in the former. The most significant effect occurs in the correspondent protonated

Molecular modeling of the voltammetric oxidation at a glassy carbon electrode of the antimalarial drug primaquine and its prodrugs succinylprimaquine and maleylprimaquine

International Nuclear Information System (INIS)

La-Scalea, Mauro A.; Menezes, Carla M.S.; Matsutami, Guilherme C.; Polli, Michelle C.; Serrano, Silvia H.P.; Ferreira, Elizabeth I.

2006-01-01

The 8-aminoquinoline primaquine (PQ) is the only antimalarial drug used as tissue schizonticide and relapsing malaria. Antichagasic activity was also reported. Nevertheless, as it also shows serious side effects, prodrugs such as succinyl and maleyl derivatives have been proposed to decrease its toxicity. Although PQ mechanism of action has not been completely elucidated, the promotion of oxidative stress is an advanced hypothesis that could explain its activity in both plasmodia and trypanosome parasites. The oxidation of PQ and its prodrugs, maleylprimaquine (MPQ) and succinylprimaquine (SPQ), was studied by cyclic voltammetry using glassy carbon electrode. All compounds were oxidized in aqueous medium, with the charge transfer process being pH-dependent in acidic medium and pH-independent in a weak basic medium, being the neutral form more easily oxidized. This indicated that the protonation of the nitrogen atoms displays a determinant role in the voltammetric oxidation, being both prodrugs more easily oxidized than PQ protonated forms, in the order: SPQ < MPQ < PQ. For a better understanding of this behavior, a molecular modeling study was performed using the AM1 semi-empirical method from Spartan 04 for Linux (v.119, Wavefunction Inc.). The medium pH showed to be fundamental not only to the electronic density of the quinoline ring but also to the rearrangement of the nitrogen side chain. The electronic density of primaquine non-protonated quinoline ring is higher than that in its protonated and diprotonated species. Also, the use of prodrugs and the degree of saturation of the carriers (maleic or succinic acid) interfere with this feature. SPQ and MPQ have a slight increase in the quinoline electronic density in comparison to PQ. Nevertheless, the carrier in the side chain of SPQ is closer to the quinoline ring than it is in MPQ, which accounts for the higher electronic density in the former. The most significant effect occurs in the correspondent protonated

Reactions of 4-nitro-1,2,3-triazole with alkylating agents and compounds with activated multiple bonds

Energy Technology Data Exchange (ETDEWEB)

Vereshchagin, L.I.; Kuznetsova, N.I.; Kirillova, L.P.; Shcherbakov, V.V.; Sukhanov, G.T.; Gareev, G.A.

1987-01-01

When 4-nitro-1,2,3-triazole is alkylated, a mixture of N1- and N2-isomers is formed, with the latter usually predominating. The same behavior is also observed in addition reactions of 4-nitrotriazole to activated multiple bonds.

An Efficient One-Pot Synthesis of Pyrano[3,2-c]quinolin-2,5-dione Derivatives Catalyzed by L-Proline

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Jing Wang

2012-11-01

Full Text Available A series of 4-aryl-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-2,5(6H-diones were synthesized via the three-component reactions of aromatic aldehydes, 4-hydroxy-1-methylquinolin-2(1H-one, and Meldrum’s acid catalyzed by L-proline. The structures of the products were identified by spectroscopic analysis. A mechanism for this three-component reaction catalyzed by L-proline was proposed.

Synthesis and antimicrobial activity of some new substituted 9-(1H-Pyrazolo [3, 4-b] Quinolin-1-YL) Acridines

International Nuclear Information System (INIS)

Thakor, S.; Parmar, P.; Patel, M.; Patel, R.

2008-01-01

2-chloro-6-methyl/methoxy-3-formylquinoline upon condensation with substituted 9-hydrazino-acridine afforded corresponding hydrazones which were cyclized under alkaline condition to give 9-(6-substituted-1H-pyrazolo [3, 4-b] quinolin-1-yl) acridine analoges. All of the synthesized compounds were characterized by their elemental analysis, IR and NMR spectral studies. Biological screenings of the prepared compounds have been screened on some strain of bacteria and fungus. (author)

Central Nervous System Infection with Borna Disease Virus Causes Kynurenine Pathway Dysregulation and Neurotoxic Quinolinic Acid Production.

Science.gov (United States)

Formisano, Simone; Hornig, Mady; Yaddanapudi, Kavitha; Vasishtha, Mansi; Parsons, Loren H; Briese, Thomas; Lipkin, W Ian; Williams, Brent L

2017-07-15

Central nervous system infection of neonatal and adult rats with Borna disease virus (BDV) results in neuronal destruction and behavioral abnormalities with differential immune-mediated involvement. Neuroactive metabolites generated from the kynurenine pathway of tryptophan degradation have been implicated in several human neurodegenerative disorders. Here, we report that brain expression of key enzymes in the kynurenine pathway are significantly, but differentially, altered in neonatal and adult rats with BDV infection. Gene expression analysis of rat brains following neonatal infection showed increased expression of kynurenine amino transferase II (KATII) and kynurenine-3-monooxygenase (KMO) enzymes. Additionally, indoleamine 2,3-dioxygenase (IDO) expression was only modestly increased in a brain region- and time-dependent manner in neonatally infected rats; however, its expression was highly increased in adult infected rats. The most dramatic impact on gene expression was seen for KMO, whose activity promotes the production of neurotoxic quinolinic acid. KMO expression was persistently elevated in brain regions of both newborn and adult BDV-infected rats, with increases reaching up to 86-fold. KMO protein levels were increased in neonatally infected rats and colocalized with neurons, the primary target cells of BDV infection. Furthermore, quinolinic acid was elevated in neonatally infected rat brains. We further demonstrate increased expression of KATII and KMO, but not IDO, in vitro in BDV-infected C6 astroglioma cells. Our results suggest that BDV directly impacts the kynurenine pathway, an effect that may be exacerbated by inflammatory responses in immunocompetent hosts. Thus, experimental models of BDV infection may provide new tools for discriminating virus-mediated from immune-mediated impacts on the kynurenine pathway and their relative contribution to neurodegeneration. IMPORTANCE BDV causes persistent, noncytopathic infection in vitro yet still elicits

Genética em transtornos alimentares: ampliando os horizontes de pesquisa

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Pinheiro Andréa Poyastro

2006-01-01

Full Text Available OBJETIVO: Revisar a literatura atual concernente à pesquisa genética em transtornos do comportamento alimentar e discutir questões relevantes ao desenvolvimento de um projeto de pesquisa genética nessa área no Brasil. MÉTODO: A revisão realizada utilizou a base de dados Medline, no período de 1984 a maio de 2005, com os seguintes termos de busca: "anorexia nervosa", "bulimia nervosa", "eating disorders", "binge eating disorder", "family studies", "twin studies", "molecular genetics studies". RESULTADOS: Os dados atuais apontam para uma contribuição relevante dos fatores genéticos na suscetibilidade à anorexia e à bulimia nervosa. A pesquisa genética com populações miscigenadas deve levar em consideração o tamanho da amostra, a densidade de genotipagem e a estratificação populacional. Através de "admixture mapping" é possível estimar a estrutura genética destas populações e localizar genes relacionados à variação étnica de doenças ou traços de interesse. CONCLUSÕES: O desenvolvimento de uma grande iniciativa de colaboração em genética de transtornos alimentares no Brasil e na América Latina viabilizará estudar os fatores genéticos em transtornos do comportamento alimentar no contexto de grupos inter-étnicos, e integrar uma nova perspectiva biológica à etiologia destes distúrbios.

Efficient and Selective Reduction of Aromatic Nitro Compounds to Aromatic Amines by NbCl{sub 5}/Indium System

Energy Technology Data Exchange (ETDEWEB)

Yoo, Byung Woo; Kim, Duckil; Kim, Hyung Min; Kang, Sung Ho [Korea Univ., Seoul (Korea, Republic of)

2012-09-15

Aromatic amines find applicability in diverse fields including dyes, pharmaceuticals, agrochemicals, and photographic materials. To date, there are a variety of methods, which can be used to convert aromatic nitro compounds to their corresponding amines. Some of them include Cp{sub 2}TiCl{sub 2}/In, Al/NH{sub 4}Cl, (NH{sub 4}){sub 2}SO{sub 4}/NaBH{sub 4}, NiCl{sub 2}6H{sub 2}O/In, HI, Sm/I{sub 2}, In/NH{sub 4}Cl, B{sub 4}H{sub 10}/Pd/C, Co{sub 2}(CO){sub 8}/H{sub 2}O and In/HCl. However, most methods still lack the desired chemo-selectivity when other reducible functional groups are present in the nitroarene and often require long reaction times, or harsh reaction conditions. Consequently, efficient and selective methods for the reduction of aromatic nitro compounds continue to be developed. It has been reported that NbCl{sub 5}/Zn system is used as a reagent for reducing sulfoxides, epoxides, and amine N-oxides.12 Because of the close resemblance of indium to zinc in several respects, including first ionization potential, we considered that NbCl{sub 5}/In system can be an efficient reducing agent for the conversion of aromatic nitro compounds to the corresponding amines. Recently, indium metal has attracted much attention for its unique properties such as low toxicity and high stability in water and air compared with other metals. In continuation of our interest in exploring the utility of metal-metal salt system in organic synthesis, we would like to report an efficient and chemo-selective method for the reduction of various aromatic nitro compounds to the corresponding amines by treatment with NbCl{sub 5}/In system (eq. 1). The new reduction system was generated by the addition of indium powder to a stirred solution of niobium(V) chloride in THF under sonication. The generation of low-valent niobium species was examined at room temperature with an excess of indium metal. The observations suggest that this procedure can be applied for the chemo

8-{1-[(4′-Fluoro-[1,1′-biphenyl]-4-ylmethyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1H-one chloroform 0.25-solvate

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Nisar Ullah

2014-02-01

Full Text Available In the asymmetric unit of the title compound, C27H27FN2O·0.25CHCl3, there are two independent molecules (A and B together with a partially disordered chloroform molecule situated about an inversion center. The conformation of the two molecules is very similar. The bridging piperidine rings each have a chair conformation while the piperidin-2-one rings of the quinoline moiety have screw-boat conformations. The benzene rings of the biphenyl moiety are inclined to one another by 26.37 (4 and 23.75 (15° in molecules A and B, respectively. The mean plane of the central piperidine ring [r.m.s. deviation = 0.241 (2 Å in both molecules A and B] is inclined to the benzene ring of the quinoline moiety by 80.06 (4 in A and 83.75 (15° in B, while it is inclined to the adjacent benzene ring of the biphenyl group by 73.623 (15 in A and 75.65 (14° in B. In the crystal, individual molecules are linked by pairs of N—H...O hydrogen bonds, forming A–A and B–B inversion dimers with R22(8 ring motifs. The dimers are stabilized by C—H...O hydrogen bonds and linked via C—H...F and C—H...N hydrogen bonds into a three-dimensional network. Several C—H...π interactions are also present.

Hydrotreatment of 8-hydroxyquinoline on a NiMo/Al sub 2 O sub 3 catalyst

Energy Technology Data Exchange (ETDEWEB)

Lee, C.M.; Satterfield, C.N. (Massachusetts Institute of Technology, Cambridge, MA (USA). Dept. of Chemical Engineering)

The hydrotreatment of 8-hydroxyquinoline was studied on a sulfided NiMo/Al{sub 2}O{sub 3} catalyst at 360{degree}C and 6.9 MPa total pressure of H{sub 2} in a vapour-phase tubular reactor. Some minor studies were performed at 385{degree}C. 8-Hydroxyquinoline undergoes hydrodeoxygenation via three routes to enter the hydrodenitrogenation network of quinoline. Route 1 is hydrogenation of the heterocyclic ring to 8-hydroxy-1,2,3,4-tetrahydroquinoline (8HTHQ) followed by hydrogenation of the aromatic ring to 8-hydroxydecahydroquinoline which undergoes C-O hydrogenolysis to decahydroquinoline. Route 2 is direct C-O hydrogenolysis of 8HTHQ to form 1,2,3,4-tetrahydroquinoline (PyTHQ). Route 3 is hydrogenation of the benzene ring in 8-hydroxyquinoline to form 8-hydroxy-5,6,7,8-tetrahydroquinoline followed by removal of the oxygen to form 5,6,7,8-tetrahydroquinoline. After oxygen removal, subsequent reactions follow the hydrodenitrogenation network of quinoline. The hydroconversion of 8-hydroxyquinoline is governed by the N center rather than the OH center. 14 refs., 9 figs.

E-materialer, som de forstås og bruges – en undersøgelse af forskelle i forståelsen af e-læring i hhv. et universitets- og forskningsbiblioteks-forankret regi

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Maria Hvid Stenalt

2010-10-01

Full Text Available Artiklen belyser, hvordan e-materialer, som et område inden for e-læring, omtales og forstås på tværs af universitetsrelaterede netværk. Artiklens hypotese er, at der er en forskel mellem universitetsforankret og forskningsbiblioteksforankret diskurs om e-materialer, og at denne diskrepans slører samarbejdsmuligheder og udviklingsmuligheder. Forfatterne argumenterer for at (genåbne diskursen angående e-materialer for at fremme den brede e-læring på universiteterne. I artiklen forholder forfatterne sig til artikler om e-materialer, der er publiceret i Tidsskriftet for Læring & Medier og til Statsbibliotekets e-materialer, som de præsenteres og formidles på bibliotekets hjemmeside.

Generalized Anxiety Disorder (GAD) and Comorbid Major Depression with GAD Are Characterized by Enhanced Nitro-oxidative Stress, Increased Lipid Peroxidation, and Lowered Lipid-Associated Antioxidant Defenses.

Science.gov (United States)

Maes, Michael; Bonifacio, Kamila Landucci; Morelli, Nayara Rampazzo; Vargas, Heber Odebrecht; Moreira, Estefânia Gastaldello; St Stoyanov, Drozdstoy; Barbosa, Décio Sabbatini; Carvalho, André F; Nunes, Sandra Odebrecht Vargas

2018-05-07

Accumulating evidence shows that nitro-oxidative pathways play an important role in the pathophysiology of major depressive disorder (MDD) and bipolar disorder (BD) and maybe anxiety disorders. The current study aims to examine superoxide dismutase (SOD1), catalase, lipid hydroperoxides (LOOH), nitric oxide metabolites (NOx), advanced oxidation protein products (AOPP), malondialdehyde (MDA), glutathione (GSH), paraoxonase 1 (PON1), high-density lipoprotein cholesterol (HDL), and uric acid (UA) in participants with and without generalized anxiety disorder (GAD) co-occurring or not with BD, MDD, or tobacco use disorder. Z unit-weighted composite scores were computed as indices of nitro-oxidative stress driving lipid and protein oxidation. SOD1, LOOH, NOx, and uric acid were significantly higher and HDL and PON1 significantly lower in participants with GAD than in those without GAD. GAD was more adequately predicted by increased SOD + LOOH + NOx and lowered HDL + PON1 composite scores. Composite scores of nitro-oxidative stress coupled with aldehyde and AOPP production were significantly increased in participants with comorbid GAD + MDD as compared with all other study groups, namely MDD, GAD + BD, BD, GAD, and healthy controls. In conclusion, GAD is characterized by increased nitro-oxidative stress and lipid peroxidation and lowered lipid-associated antioxidant defenses, while increased uric acid levels in GAD may protect against aldehyde production and protein oxidation. This study suggests that increased nitro-oxidative stress and especially increased SOD1 activity, NO production, and lipid peroxidation as well as lowered HDL-cholesterol and PON1 activity could be novel drug targets for GAD especially when comorbid with MDD.

Resistência genética em genótipos de feijoeiro a Curtobacterium flaccumfaciens pv. flaccumfaciens Genetic resistance to Curtobacterium flaccumfaciens pv. flaccumfaciens in bean genotypes

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Valmir Luiz de Souza

2006-09-01

Full Text Available Curtobacterium flaccumfaciens pv. flaccumfaciens (Cff agente causal da murcha-de-curtobacterium em feijoeiro (Phaseolus vulgaris, é um patógeno vascular de difícil controle. A doença foi detectada pela primeira vez no Brasil na safra das águas de 1995, no Estado de São Paulo. Por se tratar de uma doença de difícil controle, a resistência genética tem sido a melhor opção. O objetivo deste trabalho foi avaliar a reação de genótipos de feijoeiro à murcha-de-curtobacterium, frente a 333 acessos pertencentes ao banco de germoplasma de feijoeiro do Instituto Agronômico de Campinas (IAC. Oportunamente, foram selecionados genótipos de feijoeiro altamente resistentes e suscetíveis, com a finalidade de comparar a colonização de Cff no vaso do xilema a partir da visualização sob microscopia eletrônica de varredura. Os resultados da triagem da resistência genética em genótipos de feijoeiro indicaram a existência de variabilidade genética nas amostras dos 333 genótipos avaliados, ao isolado de Cff Feij 2634. Os materiais foram classificados em 4 grupos de resistência: 29 genótipos (8,7% comportaram-se como altamente resistentes, 13 genótipos (3,9% como resistentes, 18 genótipos (5% como moderadamente resistentes e 273 genótipos (81% suscetíveis. A partir dos resultados obtidos, cerca de 18% dos genótipos de feijoeiros, desde altamente resistentes à moderadamente resistentes, poderão ser úteis para o programa de melhoramento genético como fonte de genes para resistência a Cff. Através da microscopia eletrônica de varredura, foram observadas em genótipos altamente resistentes, várias aglutinações da bactéria envolvidas por filamentos e estruturas rendilhadas sob pontuações da parede do vaso do xilema, não verificados em genótipos suscetíveis, o que sugere a ativação de mecanismos de defesa estruturais e bioquímicos nas plantas resistentes.Curtobacterium flaccumfaciens pv. flaccumfaciens (Cff, the causal

3-Chloro-2-ethyl-6-nitro-2H-indazole

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Mohamed Mokhtar Mohamed Abdelahi

2017-05-01

Full Text Available In the title compound, C9H8ClN3O2, the orientation of the ethyl substituent is partly determined by an intramolecular C—H...Cl hydrogen bond. The indazole moiety is slightly folded with an angle of 0.70 (8° between the five- and six-membered rings. In the crystal, molecules pack in layers parallel to [100] through C—H...π(ring and N...;O...π(ring interactions.

N-{4-[(2E-3-(2H-1,3-Benzodioxol-5-ylprop-2-enoyl]phenyl}quinoline-3-carboxamide

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Efrain Polo

2017-10-01

Full Text Available An amide chalconehas been synthesized in a two-step reaction. First, N-(4-acetylphenylquinoline-3-carboxamide 2 was synthesized by the reaction of quinoline-3-carboxylic acid 1 and thionyl chloride (SOCl2, following the addition of 4-aminoacetophenone. Then, a typical Claisen–Schmidtreactionwas made between 2 and piperonal using KOH solution as a catalystin ethanol, under ultrasonic irradiation. The structure of the target compound was established by FTIR (Fourier-transform infrared spectroscopy, HRMS, 1H and 13C-NMR.

Spectrophotometric studies on complex formation of 5-nitro-3-sulpho-salicylic acid with niobium(V)

International Nuclear Information System (INIS)

Parmar, D.S.; Shivahare, G.C.

1975-01-01

5-nitro-3-sulpho-salicylic acid forms a yellow complex witn niobium(V) at pH 9.9 and the reaction has been successfully studied spectrophotometrically. The results of the Job's continuous variation method and the mole ratio method indicate a composition of 1:2 for the complex. Stability constant of the complex has also been determined. (author)

Special Issue “Recent Synthetic Aspects on the Chemistry of Nitro, Nitroso and Amino Compounds”

OpenAIRE

Alessandro Palmieri

2016-01-01

Nitrogen-containing molecules are key scaffolds that are widely applied in organic synthesis as precursors of highly functionalized materials, and are also investigated for their biological activities. This Special Issue collects seven innovative contributions which expand our knowledge of the chemistry of nitro compounds, amines, diazonium salts, and peptides, and that provide a good overview about their main reactivities.

Spectrophotometric studies on complex formation of 5-nitro-3-sulpho-salicylic acid with niobium(V)

Energy Technology Data Exchange (ETDEWEB)

Parmar, D S; Shivahare, G C [Rajasthan Univ., Jaipur (India). Dept. of Chemistry

1975-11-01

5-nitro-3-sulpho-salicylic acid forms a yellow complex witn niobium(V) at pH 9.9 and the reaction has been successfully studied spectrophotometrically. The results of the Job's continuous variation method and the mole ratio method indicate a composition of 1:2 for the complex. Stability constant of the complex has also been determined.

Consideraciones genéticas sobre las dislipidemias y la aterosclerosis

OpenAIRE

Julio César Fernández Travieso

2008-01-01

La interacción entre factores genéticos y ambientales explican muchos aspectos de la aterosclerosis y las variaciones genéticas constituyen marcadores de riesgo de la enfermedad coronaria (EC), la cual ocupa el primer lugar entre las causas de morbilidad y mortalidad a nivel mundial. La predisposición familiar a padecer EC, junto al avance vertiginoso en técnicas de análisis de ADN y la disponibilidad de secuencias del genoma humano, han orientado la investigación de alteraciones genéticas re...

Phenotypic characteristics of nitrate and 3-nitro-1-propionate-respiring enzymes of the obligate respiratory anaerobe Denitrobacterium detoxificans

Science.gov (United States)

Anaerobic respiration consumes reducing equivalents generated during fermentation thereby contributing to the maintenance of hydrogen homoeostasis in gut ecosystems. Nitrate and 3-nitro-1-propionate (NPA) are acceptors used by the nonfermentative, rumen anaerobe, Denitrobacterium detoxificans, whic...

Divergencia genética en poblaciones peruanas detectada a partir de las frecuencias haplotípicas del mtDNA y del gen nuclear MBL

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Jesús H. Córdova

2011-01-01

Full Text Available Objetivos: Avanzar en el conocimiento del origen de las poblaciones peruanas estudiadas en un contexto filogeográfico. Diseño: Estudio genético poblacional. Instituciones: Laboratorio de Genética Humana, Facultad de Ciencias Biológicas, Universidad Nacional Mayor de San Marcos, e Instituto de Genética y Biología Molecular, Facultad de Medicina, Universidad San Martín de Porras, Lima, Perú. Participantes: Siete poblaciones peruanas. Metodología: Análisis comparativo de los resultados a partir del estudio del mtDNA y el gen nuclear MBL de siete poblaciones peruanas, procesados de manera separada y luego combinados, utilizando el programa PHYLYP 3.65, para obtener valores FST de diferenciación genética y la construcción de árboles de distancias por aplicación del algorritmo UPGMA y el análisis subsecuente de los agrupamientos (clusters generados. Principales medidas de resultados: Árboles genéticos generados. Resultados: De manera separada, los árboles generados para cada marcador genético tuvieron topologías propias y diferentes entre sí. Procesados de manera combinada, el árbol resultante demostró que los mayores valores de diferenciación genética se hallaron en las Islas del Lago Titicaca (Puno, Perú conocidas -Taquile, Amantani y Anapia-, que fue calificada como muy alta, porque mostró valores de FST de 0.3113, 0.2949 y 0.3348 respecto de las poblaciones estudiadas, tanto fuera del Departamento de Puno -como Chachapoyas, Pucallpa y Chiclayo, respectivamente-, así como a la de los Uro del mismo Puno y del mismo Lago Titicaca (0.2837. Fuera de Puno, el par de poblaciones Chachapoyas-Pucallpa fue el menos divergente, al alcanzar entre ellas un valor de FST de 0.0108, calificándosele de pequeña. Conclusiones: El árbol obtenido del procesamiento de los marcadores vía una matriz combinada demostró que las poblaciones que habitan las islas de Taquile, Amantani y Anapia, divergen notablemente de las restantes cuatro

Towards an International Culture: Gen Y Students and SNS?

Science.gov (United States)

Lichy, Jessica

2012-01-01

This article reports the findings of a small-scale investigation into the Internet user behaviour of generation Y (Gen Y) students, with particular reference to social networking sites. The study adds to the literature on cross-cultural Internet user behaviour with specific reference to Gen Y and social networking. It compares how a cohort of…

Introducing AstroGen: the Astronomy Genealogy Project

Science.gov (United States)

Tenn, Joseph S.

2016-12-01

The Astronomy Genealogy Project (AstroGen), a project of the Historical Astronomy Division of the American Astronomical Society (AAS), will soon appear on the AAS website. Ultimately, it will list the world's astronomers with their highest degrees, theses for those who wrote them, academic advisors (supervisors), universities, and links to the astronomers or their obituaries, their theses when online, and more. At present the AstroGen team is working on those who earned doctorates with astronomy-related theses. We show what can be learned already, with just ten countries essentially completed.

Phase I and phase II reductive metabolism simulation of nitro aromatic xenobiotics with electrochemistry coupled with high resolution mass spectrometry.

Science.gov (United States)

Bussy, Ugo; Chung-Davidson, Yu-Wen; Li, Ke; Li, Weiming

2014-11-01

Electrochemistry combined with (liquid chromatography) high resolution mass spectrometry was used to simulate the general reductive metabolism of three biologically important nitro aromatic molecules: 3-trifluoromethyl-4-nitrophenol (TFM), niclosamide, and nilutamide. TFM is a pesticide used in the Laurential Great Lakes while niclosamide and nilutamide are used in cancer therapy. At first, a flow-through electrochemical cell was directly connected to a high resolution mass spectrometer to evaluate the ability of electrochemistry to produce the main reduction metabolites of nitro aromatic, nitroso, hydroxylamine, and amine functional groups. Electrochemical experiments were then carried out at a constant potential of -2.5 V before analysis of the reduction products by LC-HRMS, which confirmed the presence of the nitroso, hydroxylamine, and amine species as well as dimers. Dimer identification illustrates the reactivity of the nitroso species with amine and hydroxylamine species. To investigate xenobiotic metabolism, the reactivity of nitroso species to biomolecules was also examined. Binding of the nitroso metabolite to glutathione was demonstrated by the observation of adducts by LC-ESI(+)-HRMS and the characteristics of their MSMS fragmentation. In conclusion, electrochemistry produces the main reductive metabolites of nitro aromatics and supports the observation of nitroso reactivity through dimer or glutathione adduct formation.

An electronic flight bag for NextGen avionics

Science.gov (United States)

Zelazo, D. Eyton

2012-06-01

The introduction of the Next Generation Air Transportation System (NextGen) initiative by the Federal Aviation Administration (FAA) will impose new requirements for cockpit avionics. A similar program is also taking place in Europe by the European Organisation for the Safety of Air Navigation (Eurocontrol) called the Single European Sky Air Traffic Management Research (SESAR) initiative. NextGen will require aircraft to utilize Automatic Dependent Surveillance-Broadcast (ADS-B) in/out technology, requiring substantial changes to existing cockpit display systems. There are two ways that aircraft operators can upgrade their aircraft in order to utilize ADS-B technology. The first is to replace existing primary flight displays with new displays that are ADS-B compatible. The second, less costly approach is to install an advanced Class 3 Electronic Flight Bag (EFB) system. The installation of Class 3 EFBs in the cockpit will allow aircraft operators to utilize ADS-B technology in a lesser amount of time with a decreased cost of implementation and will provide additional benefits to the operator. This paper describes a Class 3 EFB, the NexisTM Flight-Intelligence System, which has been designed to allow users a direct interface with NextGen avionics sensors while additionally providing the pilot with all the necessary information to meet NextGen requirements.

Ruthenium(II) bipyridine complexes bearing quinoline-azoimine (NN'N″) tridentate ligands: synthesis, spectral characterization, electrochemical properties and single-crystal X-ray structure analysis.

Science.gov (United States)

Al-Noaimi, Mousa; Abdel-Rahman, Obadah S; Fasfous, Ismail I; El-khateeb, Mohammad; Awwadi, Firas F; Warad, Ismail

2014-05-05

Four octahedral ruthenium(II) azoimine-quinoline complexes having the general molecular formula [Ru(II)(L-Y)(bpy)Cl](PF6) {L-Y=YC6H4N=NC(COCH3)=NC9H6N, Y=H (1), CH3 (2), Br (3), NO2 (4) and bpy=2,2'-bipyrdine} were synthesized. The azoimine-quinoline based ligands behave as NN'N″ tridentate donors and coordinated to ruthenium via azo-N', imine-N' and quinolone-N″ nitrogen atoms. The composition of the complexes has been established by elemental analysis, spectral methods (FT-IR, electronic, (1)H NMR, UV/Vis and electrochemical (cyclic voltammetry) techniques. The crystal structure of complex 1 is reported. The Ru(II) oxidation state is greatly stabilized by the novel tridentate ligands, showing Ru(III/II) couples ranging from 0.93-1.27 V vs. Cp2Fe/Cp2Fe(+). The absorption spectrum of 1 in dichloromethane was modeled by time-dependent density functional theory (TD-DFT). Copyright © 2014 Elsevier B.V. All rights reserved.

4-Hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethylphenyl]-1,2-dihydroquinoline-3-carboxamide

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Emmanuel S. Akinboye

2014-03-01

Full Text Available The title compound, C20H17F3N2O4, named tasquinimod, is a second-generation oral quinoline-3-carboxamide analogue, which is currently in phase III clinical trials for the treatment of metastatic prostate cancer. The quinoline unit is almost planar (r.m.s. deviation of fitted atoms = 0.0075 Å. The carboxamide side chain, substituted at position 3, is tilted by 88.07 (7° to the quinoline plane. Both the methyl and carbonyl groups of this carboxamide side chain are in a syn conformation. The 4-(trifluoromethylphenyl plane is inclined at 50.62 (17° to the plane of the carboxamide side chain, and at 87.14 (4° to the plane of the quinoline ring system. The 4-hydroxy H atom acts as a double proton donor in an intramolecular hydrogen bond to the 5-position methoxy O atom and in an intermolecular contact to the 2-oxo group, generating a chain along [010] in the crystal structure.

Vancouver Olympic rings powered by fuel cell and IESO records winning goal

Energy Technology Data Exchange (ETDEWEB)

Anon.

2010-04-15

The fuel cell system that provided power to the 30-foot tall floating Olympic Rings in Vancouver's harbour during the 2010 Winter Olympic Games was developed and manufactured by IdaTech in Bend, Oregon. The power source altered between a biodiesel generator and IdaTech's ElectraGen H2 zero emission hydrogen fuel cell system. The technology was chosen as a source of reliable, clean energy for applications in remote locations. The ElectraGen H2 is a hydrogen fueled proton exchange membrane (PEM) fuel cell system that emits only water vapour and heat, without any greenhouse gases. These solid state electric generators combine the best features of generators and batteries. IdaTech has sold over 400 of these fuel cell units to India and Asia to provide backup power to telecommunications networks. The 2010 Winter Olympic Games also provided an opportunity for Ontario's Independent Electricity System Operator (IESO) to track electricity consumption as people turned on their televisions to watch the Men's hockey final between Canada and the United States. An increase in electricity use of 300 MW occurred just before the game started and a similar increase occurred during the intermissions as viewers prepared snacks. Electricity consumption dropped considerably after overtime began and then climbed in the final stages of the game after the winning goal was scored. 2 figs.

The nitro-reduced metabolite of nimesulide: Crystal structure, spectroscopic characterization, ESI-QTOF mass spectrometric analysis and antibacterial evaluation

Science.gov (United States)

Nunes, Julia H. B.; Nakahata, Douglas H.; Lustri, Wilton R.; Corbi, Pedro P.; de Paiva, Raphael E. F.

2018-04-01

Here we present a synthetic procedure, spectroscopic characterization and single-crystal X-ray structure for the nitro-reduced metabolite of the anti-inflammatory drug nimesulide, hereby referred to as NMS-NH2. The nitro-reduced metabolite was synthesized using the Béchamp reduction (iron powder under acidic media), leading to the conversion of the nitrobenzene group of nimesulide to an aniline. Mass spectrometry, infrared and nuclear magnetic resonance spectroscopies data are also provided for NMS-NH2, and discussed in comparison to nimesulide. NMS-NH2 was also evaluated in terms of its antibacterial activities, considering that the free sbnd NH2 group could allow the compound to act as a dihydropteroate synthase inhibitor. NMS-NH2 had a modest antibacterial activity against P. aeruginosa (5.0 mg mL-1), which was not observed for NMS.

Maternal melatonin or N-acetylcysteine therapy regulates hydrogen sulfide-generating pathway and renal transcriptome to prevent prenatal NG-Nitro-L-arginine-methyl ester (L-NAME)-induced fetal programming of hypertension in adult male offspring.

Science.gov (United States)

Tain, You-Lin; Lee, Chien-Te; Chan, Julie Y H; Hsu, Chien-Ning

2016-11-01

Pregnancy is a critical time for fetal programming of hypertension. Nitric oxide deficiency during pregnancy causes hypertension in adult offspring. We examined whether maternal melatonin or N-acetylcysteine therapy can prevent N G -nitro-L-arginine-methyl ester-induced fetal programming of hypertension in adult offspring. Next, we aimed to identify potential gatekeeper pathways that contribute to N G -nitro-L-arginine-methyl ester -induced programmed hypertension using the next generation RNA sequencing technology. Pregnant Sprague-Dawley rats were assigned to 4 groups: control, N G -nitro-L-arginine-methyl ester, N G -nitro-L-arginine-methyl ester +melatonin, and N G -nitro-L-arginine-methyl ester+N-acetylcysteine. Pregnant rats received N G -nitro-L-arginine-methyl ester administration at 60 mg/kg/d subcutaneously during pregnancy alone, with additional 0.01% melatonin in drinking water, or with additional 1% N-acetylcysteine in drinking water during the entire pregnancy and lactation. Male offspring (n=8/group) were killed at 12 weeks of age. N G -nitro-L-arginine-methyl ester exposure during pregnancy induced programmed hypertension in adult male offspring, which was prevented by maternal melatonin or N-acetylcysteine therapy. Protective effects of melatonin and N-acetylcysteine against N G -nitro-L-arginine-methyl ester-induced programmed hypertension were associated with an increase in hydrogen sulfide-generating enzymes and hydrogen sulfide synthesis in the kidneys. Nitric oxide inhibition by N G -nitro-L-arginine-methyl ester in pregnancy caused >2000 renal transcripts to be modified during nephrogenesis stage in 1-day-old offspring kidney. Among them, genes belong to the renin-angiotensin system, and arachidonic acid metabolism pathways were potentially involved in the N G -nitro-L-arginine-methyl ester-induced programmed hypertension. However, melatonin and N-acetylcysteine reprogrammed the renin-angiotensin system and arachidonic acid pathway

Conceptos básicos de programación genética

Directory of Open Access Journals (Sweden)

José Jesús Martínez Páez

2001-04-01

Full Text Available La Programación Genética, PG, es un retoño de los Algoritmos Genéticos, en la cual los cromosomas que sufren la adaptación son en sí mismos programas de computador. Se usan operadores genéticos  especializados que generalizan la recombinación sexual y la mutación, para los programas de computador estructurados en árbol que están bajo adaptación.

Black rings

International Nuclear Information System (INIS)

Emparan, Roberto; Reall, Harvey S

2006-01-01

A black ring is a five-dimensional black hole with an event horizon of topology S 1 x S 2 . We provide an introduction to the description of black rings in general relativity and string theory. Novel aspects of the presentation include a new approach to constructing black ring coordinates and a critical review of black ring microscopics. (topical review)

[New-type electrodeless excilamp for advanced treatment on nitrogen-heterocyclic compounds (NHCs) in aqueous solution].

Science.gov (United States)

Ye, Zhao-Lian; Wang, Bin; Lu, Juan-Juan; Li, Feng; Zhang, Ren-Xi

2012-03-01

A novel 206 nm excilamp generated by microwave-driven Kr/I2 mixtures was employed for nitrogen-heterocyclic compounds (NHCs) degradation in aqueous solution. The photodissociation efficiencies of indole and quinoline with 206 nm excilamp were estimated on the basis of removal efficiency of targeted compounds and the loss of total organic carbon (TOC). The results indicated that removal efficiency of 20 mg x L(-1) indole was as high as 62.0% after 80 min and TOC loss efficiency of 50.7% for 150 min. The irradiation time, initial concentration and pH value had some influences on quinoline degradation. Indole removal efficiency and TOC loss was markedly higher than that of quinoline under the same condition. The intermediates were identified qualitatively by gas chromatography/mass spectrum (GC/MS) with headspace sampling after they were extracted by rotary evaporator. GC/MS analysis indicated that indole and quinoline underwent ring-open dissociation under 206 nm irradiation, as a result, benzene, xylene, acetate, aldehyde, as well as ester compounds were formed, while indole aggregation reaction occurred during indole photodegradation. At last, degradation mechanisms of quinoline and indole in aqueous media with 206 nm excilamp were proposed on the basis of intermediates.

Potent, nonsteroidal selective androgen receptor modulators (SARMs) based on 8H-[1,4]oxazino[2,3-f]quinolin-8-ones.

Science.gov (United States)

Higuchi, Robert I; Thompson, Anthony W; Chen, Jyun-Hung; Caferro, Thomas R; Cummings, Marquis L; Deckhut, Charlotte P; Adams, Mark E; Tegley, Christopher M; Edwards, James P; López, Francisco J; Kallel, E Adam; Karanewsky, Donald S; Schrader, William T; Marschke, Keith B; Zhi, Lin

2007-10-01

A series of androgen receptor modulators based on 8H-[1,4]oxazino[2,3-f]quinolin-8-ones was synthesized and evaluated in an androgen receptor transcriptional activation assay. The most potent analogues from the series exhibited single-digit nanomolar potency in vitro. Compound 18h demonstrated full efficacy in the maintenance of muscle weight, at 10 mg/kg, with reduced activity in prostate weight in an in vivo model of androgen action.

3,3′,5,5′-Tetranitrobiphenyl

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M. A. Avery

2009-05-01

Full Text Available The title compound, C12H6N4O8, is a biphenyl system that was synthesized as a building block for a new series of antimalarial compounds. The aromatic rings are oriented at a dihedral angle of 45.5 (2°, and intermolecular short O...O contacts form a chain along the b axis. The strength of the interactions involved in this chain cause one of the rings to be slightly distorted, with the torsion angle between the nitro groups being 23.4 (2°, whereas, in the other ring, both nitro systems are parallel, forming an angle of 9.6 (2° with the plane of the aromatic ring to which they are bound. Furthermore, the three ring C atoms around the ring–ring linkage belong to a plane inclined by 4.5 (1° in relation to the plane containing the other three C atoms, i.e. (NO2–C—C—C(NO2. This distortion of the ring causes uncommonly short intermolecular O...O [3.038 (2 Å] and O...C [3.000 (4 and 3.214 (1 Å] contacts.

Quinoline-substituted Zinc(II) phthalocyanine for the dual detection of ferric and zinc ions

Energy Technology Data Exchange (ETDEWEB)

Gupta, Ankush [Lyallpur Khalsa College of Engineering, Jalandhar (India); Kim, A Rong [Dong-A University, Busan (Korea, Republic of); Kim, Kyung Sub; Na, Kun [The Catholic University, Seoul (Korea, Republic of); Choi, Myung Seok [Konkuk University, Seoul (Korea, Republic of); Park, Jong S. [Pusan National University, Busan (Korea, Republic of)

2015-09-15

Here we present the synthesis and properties of quinoline-substituted zinc(II) phthalocyanine, Zn[Pc(O-QN){sub 4} ]. Zn[Pc(O-QN){sub 4} ] can function as a highly selective chemosensor against Fe{sup 3+} and Zn{sup 2+} ions, exhibiting efficient fluorescence quenching and enhancement, respectively. Various characterization techniques were employed to investigate the intermolecular interactions of Zn[Pc(O-QN){sub 4} ] with metal ions. A double-electron exchange and a forbidden photoinduced electron transfer behavior in Zn[Pc(O-QN){sub 4} ] were attributed to such opposite responses. Furthermore, by taking advantage of selectivity, we successfully employed Zn[Pc(O-QN)-4 ] to stain and record confocal fluorescence microscopy images of Chang liver cells in the presence of metal ions.

Special Issue “Recent Synthetic Aspects on the Chemistry of Nitro, Nitroso and Amino Compounds”

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Alessandro Palmieri

2016-12-01

Full Text Available Nitrogen-containing molecules are key scaffolds that are widely applied in organic synthesis as precursors of highly functionalized materials, and are also investigated for their biological activities. This Special Issue collects seven innovative contributions which expand our knowledge of the chemistry of nitro compounds, amines, diazonium salts, and peptides, and that provide a good overview about their main reactivities.

2H isotope effect on 13C chemical shifts of Nitro-Benzo-9-Crown-3

International Nuclear Information System (INIS)

Moghimi, A.; Rastegar, M.; Ghandi, M.; Bijanzadeh, H. R.

2002-01-01

Deuterium substitution on two ortho-substituted-OCH 2 fragments in Nitro-Benzo-9 Crown-3 induces low frequency shifts, positive m ''nΔC j, in all 13 C NMR resonances which is an indication of the increased shielding in this crown ether. The magnitude of these shifts vary from 15 ΔC 7=716 to 54 ΔC 3=15 ppb for C 7 and C 3 carbons directly attached to 2 H, respectively. The influences of concentration and solvent, CDCl 3 CD 3 COCD 3 , and C 6 D 6 , on mn ΔC j values were investigated. The mn ΔC j values depended more on the nature of the solvent than on the concentration. The order of induced isotope shifts is 15 Δ, 51 Δ > 24 Δ, 42 Δ> 34 Δ, 43 Δ > 56 Δ, 65 Δ> 45 Δ, 54 Δ. The isotope shifts observed are suggested to be a sum of contributions from low frequency shift due to inductive-type and negative hyperconjugation perturbations. The C-D bond, as a poorer electron acceptor than a C-H bond induced less positive charge on directly attached oxygens O 1 and O 2. This, in turn, causes shielding of C 1 and C 2 in C1O1CD 2 and C 2 0 2 CD 2 fragments. The difference in 34 ΔC 1 and 43 ΔC 2 values is attributed to the conformational dependence of the negative hyperconjugation. The C 1 and C 2, are in fact, not equally affected by the two CD 2 groups by negative hyperconjugation because of the existence of NO 2 group attached to the benzene ring

Dosage de l'acide nitro-5 furylacrylique dans les vins blancs (1

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Suzanne Lafon-Lafourcade

1975-09-01

Rappelons que l'acide nitro-5 furylacrylique est une substance jaune, inodore et sans saveur, stable à la lumière et à la chaleur. Ses sels de sodium et de potassium sont très solubles dans l'eau, dans l'alcool et le méthanol, mais insolubles dans les solvants non miscibles à l'eau. Le 5-NFA ne distille pas et n'est pas entraînable par la vapeur d'eau. (1 Travail réalisé en collaboration avec le Conseil Interprofessionnel du Vin de Bordeaux.

Variations in Ring Particle Cooling across Saturn's Rings with Cassini CIRS

Science.gov (United States)

Brooks, S. M.; Spilker, L. J.; Pilorz, S.; Edgington, S. G.; Déau, E.; Altobelli, N.

2010-12-01

Cassini's Composite Infrared Spectrometer has recorded over two million of spectra of Saturn's rings in the far infrared since arriving at Saturn in 2004. CIRS records far infrared radiation between 10 and 600 cm-1 ( 16.7 and 1000 μ {m} ) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn’s rings peaks in this wavelength range. Ring temperatures can be inferred from FP1 data. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and rapidly changing temperatures are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid particles can be expected to have higher thermal inertias. Ferrari et al. (2005) fit thermal inertia values of 5218 {Jm)-2 {K}-1 {s}-1/2 to their B ring data and 6412 {Jm)-2 {K}-1 {s}-1/2 to their C ring data. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The rings’ thermal budget is dominated by its absorption of solar radiation. As a result, ring particles abruptly cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

CLONACIÓN Y FILOGENIA MOLECULAR DE UN SEGMENTO DEL GEN CODANTE DE LA ACTINA DE MYRCIARIA DUBIA “CAMU-CAMU”: UN CANDIDATO PARA GEN DE REFERENCIA

Directory of Open Access Journals (Sweden)

Juan Carlos Castro Gómez

2012-12-01

Full Text Available Myrciaria dubia “camu-camu” es un frutal amazónico caracterizado por su amplia variación de vitamina C. Pero los estudios genético moleculares que puedan explicar esta variación son limitados. Por ello nuestro objetivo fue realizar la clonación y filogenia molecular de un segmento del gen codante de la actina de M. dubia. Las muestras fueron obtenidas de la colección de germoplasma del INIA. Luego, el ARN fue purificado y mediante RT-PCR con cebadores degenerados se amplificó un segmento del gen. En base a la secuencia obtenida se diseñaron cebadores específicos para PCR en tiempo real. Los resultados muestran que se ha aislado, clonado y secuenciado un segmento del gen codante de actina de M. dubia y detectado su expresión en hojas, pulpa y cáscara de M. dubia. Así, con el soporte de herramientas bioinformáticas y uso de técnicas de biología molecular hemos aislado, clonado y secuenciado un segmento del gen codante de la actina de M. dubia. Asimismo, los análisis realizados muestran que el gen se expresa y presenta niveles similares de expresión en hojas, pulpa y cáscara de M. dubia. Sin embargo, es necesario realizar más experimentos a fin de verificar su estabilidad de expresión.

Efeito do lipopolissacarídio bacteriano sobre o esvaziamento gástrico de ratos: avaliação do pré-tratamento com Nw-nitro-L-arginine methyl ester (L-NAME The effect of bacterial lipopolysaccharide on the gastric emptying of rats: a pretreatment evaluation using Nw-nitro-L-arginine methyl ester (L-NAME

Directory of Open Access Journals (Sweden)

Edgard Ferro Collares

2006-09-01

Full Text Available RACIONAL: Há evidências de que o óxido nítrico participa do mecanismo de retardo do esvaziamento gástrico determinado pelo lipopolissacarídio bacteriano. OBJETIVO: Avaliar o efeito do pré-tratamento com Nw-nitro-L-arginine methyl ester, um inibidor competitivo das óxido nítrico-sintetases, sobre o fenômeno. MATERIAL E MÉTODOS: Utilizaram-se ratos, Wistar, machos, SPF ("specific-pathogen free", adultos, adaptados às condições do laboratório, que após 24 horas de jejum alimentar foram pré-tratados endovenosamente com veículo (salina ou Nw-nitro-L-arginine methyl ester nas doses de 0,5, 1, 2,5 e 5 mg/kg. No tratamento, administrou-se endovenosamente veículo (salina ou lipopolissacarídio (50 µg/kg. O intervalo entre o pré-tratamento e o tratamento foi de 10 minutos, e entre este e a avaliação do esvaziamento gástrico foi de 60 minutos. O esvaziamento gástrico foi avaliado indiretamente através da determinação da retenção gástrica da solução salina marcada com fenol vermelho 10 minutos após administração por via orogástrica. RESULTADOS: Entre os animais pré-tratados com veículo, o tratamento com lipopolissacarídio determinou elevação significativa da retenção gástrica (média = 57% em relação aos tratados com veículo (38,1%. O pré-tratamento com as diferentes doses de Nw-nitro-L-arginine methyl ester não modificou a retenção gástrica nos animais controles do tratamento. O pré-tratamento com Nw-nitro-L-arginine methyl ester com a dose de 1 mg/kg determinou redução discreta, mas significativa, na retenção gástrica (52% nos animais tratados com lipopolissacarídio, em relação ao observado naqueles com pré-tratamento e tratamento com veículo (35,9%. Nos animais pré-tratados com 2,5 e 5 mg/kg de Nw-nitro-L-arginine methyl ester e tratados com lipopolissacarídio, houve aumento significante da retenção gástrica (74,7% e 80,5%, respectivamente em relação aos seus controles pr

Laboratory Infrared Spectra of Polycyclic Aromatic Nitrogen Heterocycles: Quinoline, and Phenanthridine in Solid Argon and H2O

Science.gov (United States)

Bernstein, M. P.; Mattioda, A. L.; Sandford, S. A.; Hudgins, D. M.

2004-01-01

Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe. Their detection and identification are based on telescopic infrared (IR) spectra compared with laboratory data. Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics i.e., PAHs with carbon atoms replaced by a nitrogen atom. These molecules should be present in the interstellar medium, but have received relatively little attention. We present mid-IR spectra of two PANHs, quinoline (C9H7N), and phenanthridine (C13H9N) isolated in solid argon and frozen in solid H2O at 12 K, conditions yielding data directly comparable to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H2O. Whereas the IR spectrum of phenanthridine in H2O is similar to that of the same compound isolated in an argon matrix, quinoline absorptions shift up to 16 cm(sup -1) (0.072 mm) between argon and H2O. Thus, astronomers will not always be able to rely on IR band positions of matrix isolated PANHs to correctly interpret the absorptions of PANHs frozen in H2O ice grains. Furthermore, our data suggest that relative band areas also vary, so determining column densities to better than a factor of 3 will require knowledge of the matrix in which the PANH is embedded and laboratory studies of relevant samples.

Safety Design Criteria (SDC) for Gen-IV Sodium-cooled Fast Reactor

International Nuclear Information System (INIS)

Nakai, Ryodai

2013-01-01

SDC Development Background & Objectives: • Safety Design Criteria (SDC) Development for Gen-IV SFR: – Proposed at the GIF Policy Group (PG) meeting in October 2010 –SDC “harmonization” is increasingly important for: • Realization of enhanced safety designs meeting to Gen-IV safety goals and safety approach common to SFR systems; • Preparation for the forthcoming licensing in the near future; • Because Gen-IV SFR are progressing into conceptual design stage. • The SDC is the Reference criteria: – Of the designs of safety-related Structures, Systems & Components that are specific to the SFR system; – For clarifying the requisites systematically & comprehensively; – When the technology developers apply the basic safety approach and use the codes & standards for conceptual design of the Gen-IV SFR system

Aproximación genómica al diagnóstico genético de las distrofias hereditarias de retina y búsqueda de nuevos genes relacionados

OpenAIRE

González del Pozo, María

2014-01-01

Diagnosticar genéticamente a las familias afectas de alguna de las distrofias hereditarias de retina (DHR) es, desde el punto de vista del genetista, una tarea ardua y complicada, si atendemos a la gran cantidad de genes y mutaciones reportados hasta la fecha. La gran heterogeneidad clínica y genética que caracteriza a este conjunto de enfermedades, es sin duda el mayor impedimento para su resolución genética. En este escenario, el empleo de herramientas cada vez más poderosas es indispensabl...

Genética e hanseníase

OpenAIRE

Beiguelman Bernardo

2002-01-01

As diferentes linhas de pesquisa utilizadas para investigar a importância dos fatores hereditários humanos na determinação da resistência/suscetibilidade à infecção pelo Mycobacterium leprae foram discutidas no presente trabalho. Uma síntese dessas abordagens permitiu analisar os resultados das investigações sobre associação da hanseníase com polimorfismos genéticos, distribuição familial da hanseníase, prevalência da hanseníase e distância genética, concordância da hanseníase em gêmeos e est...

Analisis Mutasi Gen Protein X Virus Hbv Pada Penderita Hepatitis B Akut Di Manado

OpenAIRE

Fatimawali; Kepel, Billy

2014-01-01

Faktor-faktor yang mempengaruhi perkembangan hepatitis B kronis menjadi kanker hati antara lain mutasi pada gen x. Penelitian ini bertujuan untuk mengidentifikasi gen protein x virus HBV dan menganalisis apakah terjadi mutasi gen yang terkait dengan munculnya tumor ganas sirosis hati (HCC). Penelitian ini menggunakan primer untuk proses nested PCR yang telah dirancang sebelumnya. Proses nested PCR terhadap 10 sampel DNA HBV pasien dilakukan untuk mengamplifikasi fragmen DNA gen x dilanjutkan ...

Alternative loop rings

CERN Document Server

Goodaire, EG; Polcino Milies, C

1996-01-01

For the past ten years, alternative loop rings have intrigued mathematicians from a wide cross-section of modern algebra. As a consequence, the theory of alternative loop rings has grown tremendously. One of the main developments is the complete characterization of loops which have an alternative but not associative, loop ring. Furthermore, there is a very close relationship between the algebraic structures of loop rings and of group rings over 2-groups. Another major topic of research is the study of the unit loop of the integral loop ring. Here the interaction between loop rings and group ri

Primitivity and weak distributivity in near rings and matrix near rings

International Nuclear Information System (INIS)

Abbasi, S.J.

1993-08-01

This paper shows the structure of matrix near ring constructed over a weakly distributive and primative near ring. It is proved that a weakly distributive primitive near ring is a ring and the matrix near rings constructed over it is also a bag. (author). 14 refs

Craniostenose em gêmeos: estudo genético

Directory of Open Access Journals (Sweden)

Walter Carlos Pereira

1968-09-01

Full Text Available É relatada a ocorrência de formas clínicas diversas de craniostenose em gêmeos de sexo diferente. A menina apresentava obliteração completa da sutura coronaria e dos dois terços anteriores da sutura sagital; no menino a sutura sagital era a única afetada. O estudo genético mostrou que a craniostenose independe de aberrações cromossômicas, indicando ser transmitida por gens recessivos raros de natureza autossômica.

Synthesis in aqueous medium and organic praseodymium complexes with ligands derived from Schiff base quinolinic. Characterization and physicochemical study

International Nuclear Information System (INIS)

Garcia G, A.

2015-01-01

It was investigated the coordination ability of the quinolinic Schiff base organic tetradentate quinolinic ligand (Q Schiff-(OH) 2 ) towards the trivalent praseodymium by UV/Vis spectrophotometric titration (St). By St, was studied the formed species between the Q Schiff-(OH) 2 ligand and the praseodymium nitrate salt in equimolar concentrations (5.86 x 10 -4 M: 5.22 x 10 -4 M) in methanol. The statistical analysis of the experimental results suggested three complexed species with 1Pr:3L, 1Pr:2L y 1Pr:1L stoichiometries. The predominant stoichiometries were the second and the latter. Based on these results and data from the scientific literature, the methodology for the syntheses of the complexes Q Schiff-(OH) 2 -Pr in aqueous-organic and organic media was established and a molar ratio M:L= 1:2 of praseodymium nitrate and the ligand was used. The new complexes were characterized by UV/Vis, Infrared, X-ray Photoelectron Spectroscopy (XP S), Diffuse Reflectance (Dr) and Thermogravimetric Analysis/Differential Scanning Calorimetry (TGA/DSC). Elemental analysis of C, N, O and Pr by XP S suggested 1Pr:2L:1Na (PrC 32 H 20 N 4 O 4 Na) stoichiometry of the complex synthesized by the aqueous-organic medium while for the complex synthesized by the organic medium it was 1Pr:3L (PrC 48 H 33 N 6 O 6 ). In the first case, the praseodymium ion charge was neutralized by the anionic ligands whose remaining charge was compensated by the sodium ion. In the second case, the ion charge was neutralized by the ligands. The minimum formula was Pr(Q Schiff) 2 Na for the pure coordination compound from the aqueous-organic medium and the minimum formula Pr(Q Schiff) 3 for that from the organic medium. XP S also indicated that the oxidation state of praseodymium ion was maintained. Both complexes were stable in methanol, ethanol and acetonitrile at least for 5 days. The photophysical properties of the studied complexes were evaluated by emission and excitation luminescence (fluorescence and

A Virtual Reality Framework to Optimize Design, Operation and Refueling of GEN-IV Reactors

International Nuclear Information System (INIS)

Rizwan-uddin; Nick Karancevic; Stefano Markidis; Joel Dixon; Cheng Luo; Jared Reynolds

2008-01-01

Many GEN-IV candidate designs are currently under investigation. Technical issues related to material, safety and economics are being addressed at research laboratories, industry and in academia. After safety, economic feasibility is likely to be the most important criterion in the success of GEN-IV design(s). Lessons learned from the designers and operators of GEN-II (and GEN-III) reactors must play a vital role in achieving both safety and economic feasibility goals

A Virtual Reality Framework to Optimize Design, Operation and Refueling of GEN-IV Reactors.

Energy Technology Data Exchange (ETDEWEB)

Rizwan-uddin; Nick Karancevic; Stefano Markidis; Joel Dixon; Cheng Luo; Jared Reynolds

2008-04-23

many GEN-IV candidate designs are currently under investigation. Technical issues related to material, safety and economics are being addressed at research laboratories, industry and in academia. After safety, economic feasibility is likely to be the most important crterion in the success of GEN-IV design(s). Lessons learned from the designers and operators of GEN-II (and GEN-III) reactors must play a vital role in achieving both safety and economic feasibility goals.

Spectrophotometric study of the complexation reaction between niobium(V) and 5-sulpho-3-nitro-salicylic acid

Energy Technology Data Exchange (ETDEWEB)

Parmar, D S; Shivahare, G C [Rajasthan Univ., Jaipur (India). Dept. of Chemistry

1975-04-01

5-sulpho-3 nitro-salicylic acid forms a yellow complex with niobium(V) at pH 8.5 and the reaction has been successfully studied spectrophotometrically. The results of the Job's continuous variation method and the molar ratio method indicate a composition of 1:2 for the complex. Stability constant of the complex has also been determined. (auth)

Transformação genética em espécies florestais.

OpenAIRE

Claudia Studart-Guimarães; Cristiano Lacorte; Ana Cristina Miranda Brasileiro

2010-01-01

A transformação genética, que compreende a introdução de genes exógenos de forma controlada no genoma de uma célula vegetal e posterior regeneração da planta transgênica, tem contribuído com os programas de melhoramento genético de plantas pela obtenção de genótipos com novas características de interesse. O melhoramento de espécies florestais é limitado por características intrínsecas a tais espécies, como a altura dos indivíduos e o ciclo longo de vida. A transformação genética constitui, po...

Preserving Accuracy in GenBank

DEFF Research Database (Denmark)

Bidartondo, M.I.; Bruns, T. D.; Blackwell, M.

2008-01-01

GenBank, the public repository for nucleotide and protein sequences, is a critical resource for molecular biology, evolutionary biology, and ecology. While some attention has been drawn to sequence errors (1), common annotation errors also reduce the value of this database. In fact, for organisms...

GenMAPP 2: new features and resources for pathway analysis

Directory of Open Access Journals (Sweden)

Dahlquist Kam D

2007-06-01

Full Text Available Abstract Background Microarray technologies have evolved rapidly, enabling biologists to quantify genome-wide levels of gene expression, alternative splicing, and sequence variations for a variety of species. Analyzing and displaying these data present a significant challenge. Pathway-based approaches for analyzing microarray data have proven useful for presenting data and for generating testable hypotheses. Results To address the growing needs of the microarray community we have released version 2 of Gene Map Annotator and Pathway Profiler (GenMAPP, a new GenMAPP database schema, and integrated resources for pathway analysis. We have redesigned the GenMAPP database to support multiple gene annotations and species as well as custom species database creation for a potentially unlimited number of species. We have expanded our pathway resources by utilizing homology information to translate pathway content between species and extending existing pathways with data derived from conserved protein interactions and coexpression. We have implemented a new mode of data visualization to support analysis of complex data, including time-course, single nucleotide polymorphism (SNP, and splicing. GenMAPP version 2 also offers innovative ways to display and share data by incorporating HTML export of analyses for entire sets of pathways as organized web pages. Conclusion GenMAPP version 2 provides a means to rapidly interrogate complex experimental data for pathway-level changes in a diverse range of organisms.

Interaction of ring dark solitons with ring impurities in Bose-Einstein condensates

International Nuclear Information System (INIS)

Xue Jukui

2005-01-01

The interaction of ring dark solitons/vortexes with the ring-shaped repulsive and attractive impurities in two-dimensional Bose-Einstein condensates is investigated numerically. Very rich interaction phenomena are obtained, i.e., not only the interaction between the ring soliton and the impurity, but also the interaction between vortexes and the impurity. The interaction characters, i.e., snaking of ring soliton, quasitrapping or reflection of ring soliton and vortexes by the impurity, strongly depend on initial ring soliton velocity, impurity strength, initial position of ring soliton and impurity. The numerical results also reveal that ring dark solitons/vortexes can be trapped and dragged by an adiabatically moving attractive ring impurity

8-Bromo-2-methylquinoline

Directory of Open Access Journals (Sweden)

Lin-Tao Yang

2009-07-01

Full Text Available In the crystal structure of the title compound, C10H8BrN, the dihedral angle between the two six-membered rings of the quinoline system is 0.49 (16°. The molecules are packed in a face-to-face arrangement fashion, with a centroid–centroid distance of 3.76 Å between the benzene and pyridine rings of adjacent molecules. No hydrogen bonding is found in the crystal structure.

Update History of This Database - GenLibi | LSDB Archive [Life Science Database Archive metadata

Lifescience Database Archive (English)

Full Text Available switchLanguage; BLAST Search Image Search Home About Archive Update History Data ...List Contact us GenLibi Update History of This Database Date Update contents 2014/03/25 GenLibi English archi...base Description Download License Update History of This Database Site Policy | Contact Us Update History of This Database - GenLibi | LSDB Archive ... ...ve site is opened. 2007/03/01 GenLibi ( http://gene.biosciencedbc.jp/ ) is opened. About This Database Data

Storage Rings

International Nuclear Information System (INIS)

Fischer, W.

2010-01-01

Storage rings are circular machines that store particle beams at a constant energy. Beams are stored in rings without acceleration for a number of reasons (Tab. 1). Storage rings are used in high-energy, nuclear, atomic, and molecular physics, as well as for experiments in chemistry, material and life sciences. Parameters for storage rings such as particle species, energy, beam intensity, beam size, and store time vary widely depending on the application. The beam must be injected into a storage ring but may not be extracted (Fig. 1). Accelerator rings such as synchrotrons are used as storage rings before and after acceleration. Particles stored in rings include electrons and positrons; muons; protons and anti-protons; neutrons; light and heavy, positive and negative, atomic ions of various charge states; molecular and cluster ions, and neutral polar molecules. Spin polarized beams of electrons, positrons, and protons were stored. The kinetic energy of the stored particles ranges from 10 -6 eV to 3.5 x 10 12 eV (LHC, 7 x 10 12 eV planned), the number of stored particles from one (ESR) to 1015 (ISR). To store beam in rings requires bending (dipoles) and transverse focusing (quadrupoles). Higher order multipoles are used to correct chromatic aberrations, to suppress instabilities, and to compensate for nonlinear field errors of dipoles and quadrupoles. Magnetic multipole functions can be combined in magnets. Beams are stored bunched with radio frequency systems, and unbunched. The magnetic lattice and radio frequency system are designed to ensure the stability of transverse and longitudinal motion. New technologies allow for better storage rings. With strong focusing the beam pipe dimensions became much smaller than previously possible. For a given circumference superconducting magnets make higher energies possible, and superconducting radio frequency systems allow for efficient replenishment of synchrotron radiation losses of large current electron or positron beams

Sistema inmune y genética: un abordaje diferente a la diversidad de anticuerpos.

OpenAIRE

Matta Camacho, Nubia Estela

2011-01-01

RESUMEN Es común encontrar en los libros de inmunología o de genética un capítulo con el título de “sistema inmune y genética”, sin embargo su asociación se centra en cómo la generación de anticuerpos rompió el paradigma “un gen, una proteína”, pues en el caso de la producción de anticuerpos, un gen produce millones de proteínas. El sistema inmune tiene muchos vínculos con la genética y la herencia; esta asociación se da porque cualquier sustancia o compuesto que produzca un organi...

Energetic co-ordination compounds: synthesis, characterization and thermolysis studies on bis-(5-nitro-2H-tetrazolato-N2)tetraammine cobalt(III) perchlorate (BNCP) and its new transition metal (Ni/Cu/Zn) perchlorate analogues

International Nuclear Information System (INIS)

Talawar, M.B.; Agrawal, A.P.; Asthana, S.N.

2005-01-01

Bis-(5-nitro-2H-tetrazolato-N 2 )tetraammine[cobalt(III)/nickel(III)] perchlorates (BNCP/BNNP) and mono-(5-nitro-H-tetrazolato-N)triammine [copper(II)/zinc(II)] perchlorates (MNCuP/MNZnP) have been synthesized during this work. The synthesis was carried out by addition of carbonato tetraammine metal [Co/Ni/Cu/Zn] nitrate [CTCN/CTNN/CTCuN/CTZnN] to the aqueous solution of sodium salt of 5-nitrotetrazole followed by reaction with perchloric acid. The precursors were synthesized by the reaction of aqueous solution of their respective nitrates with ammonium carbonate at 70 deg. C. The complexes and their precursors were characterized by determining metal and perchlorate content as well as infrared (IR), electron spectra for chemical analysis (ESCA) and X-ray diffraction (XRD) techniques. The TG profiles indicated that BNCP, BNNP and MNCuP are thermally stable up to the temperature of 260-278 deg. C unlike MNZnP (150 deg. C). Sudden exothermic decomposition was observed in case of bis-(5-nitro-2H-tetrazolato-N 2 )tetraammine cobalt(III) perchlorate, bis-(5-nitro-2H-tetrazolato-N 2 )tetraammine nickel(III) perchlorate and mono-(5-nitro-H-tetrazolato-N)triammine zinc(II) perchlorate resulting in the severe damage of the sample cup. Sensitivity data indicated that the Co/Ni/Cu complexes are more friction sensitive (3-4.8 kg) than mono-(5-nitro-H-tetrazolato-N)triammine zinc(II) perchlorate (14 kg). The impact sensitivity results of the complexes corresponded to h 50% of 30-36 cm

Feasibility Study of Economics and Performance of Solar Photovoltaics in Nitro, West Virginia

Energy Technology Data Exchange (ETDEWEB)

Lisell, L.; Mosey, G.

2010-08-01

The study described in this report assessed brownfield sites designated by the City of Nitro, West Virginia for solar photovoltaic (PV) installations. The study analyzed three different types of PV systems for eight sites. The report estimates the cost, performance, and site impacts of thin film technology and crystalline silicon panels (both fixed-axis tracking and single-axis tracking systems). Potential job creation and electrical rate increases were also considered, and the report recommends financing options that could assist in the implementation of a system.

Perda auditiva genética Genetic hearing loss

Directory of Open Access Journals (Sweden)

Ricardo Godinho

2003-01-01

Full Text Available O progresso das pesquisas relacionadas à perda auditiva genética tem provocado um importante avanço do entendimento dos mecanismos moleculares que governam o desenvolvimento, a função, a resposta ao trauma e o envelhecimento do ouvido interno. Em países desenvolvidos, mais de 50% dos casos de surdez na infância é causada por alterações genéticas e as perdas auditivas relacionadas à idade têm sido associadas com mecanismos genéticos. OBJETIVO: O objetivo desta revisão é relatar as informações mais recentes relacionadas às perdas audtivas de origem genética. FORAMA DE ESTUDO: Revisão sistemática. MATERIAL E MÉTODO: A revisão da literatura inclui artigos indexados à MEDLINE (Biblioteca Nacional de Saúde, NIH-USA e publicados nos últimos 3 anos, além das informações disponíveis na Hereditary Hearing Loss Home Page. CONCLUSÃO: Os recentes avanços no entendimento das perdas auditivas de origem genética têm favorecido a nossa compreensão da função auditiva e tornado o diagnóstico mais apurado. Possivelmente, no futuro, este conhecimento também proporcionará o desenvolvimento de novas terapias para o tratamento das causas genéticas das perdas auditivas.The progress in the research of genetic hearing loss has advanced our understanding of the molecular mechanisms that govern inner ear development, function and response to injury and aging. In the developed world, over 50% of childhood deafness is attributable to genetic causes and even age-related hearing loss has been associated with genetic mechanisms. AIM: The objective of this review is to summarize recent knowledge in genetic hearing loss. STUDY DESIGN: Sistematic review. MATERIAL AND METHODS: The literature review included articles indexed at MEDLINE (The National Library of Medicine, The National Institute of Health - USA focusing on publications from the past 3 years plus the information available at the Hereditary Hearing Loss Home Page. CONCLUSION

KARAKTERISTIK SEKUEN cDNA PENGKODE GEN ANTI VIRUS DARI UDANG WINDU, Penaeus monodon

Directory of Open Access Journals (Sweden)

Andi Parenrengi

2016-11-01

Full Text Available Transgenesis pada ikan merupakan sebuah teknik modern yang berpotensi besar dalam menghasilkan organisme yang memiliki karakter lebih baik melalui rekombinan DNA gen target termasuk gen anti virus dalam peningkatan resistensi pada udang. Gen anti virus PmAV (Penaeus monodon Anti Viral gene merupakan salah satu gen pengkode anti virus yang berasal dari spesies krustase. Penelitian ini dilakukan untuk mengetahui karakteristik gen anti virus yang diisolasi dari udang windu, Penaeus monodon. Isolasi gen anti virus menggunakan metode Polymerase Chain Reaction (PCR dan selanjutnya dipurifikasi untuk sekuensing. Data yang dihasilkan dianalisis dengan program Genetyx Versi 7 dan basic local alignment search tool (BLAST. Hasil penelitian menunjukkan bahwa gen anti virus PmAV yang berhasil diisolasi dari cDNA udang windu dengan panjang sekuen 520 bp yang mengkodekan 170 asam amino. BLAST-N menunjukkan tingkat similaritas yang sangat tinggi (100% dengan gen anti virus yang ada di GeneBank. Komposisi asam amino penyusun gen anti virus yang paling besar adalah serin (10,00%, sedangkan yang terkecil adalah asam amino prolin dan lisin masing-masing 1,76%. Analisis sekuen gen dan deduksi asam amino (BLAST-P memperlihatkan adanya C-type lectin-like domain (CTLD yang memiliki kemiripan dengan gen C-type lectin yang diisolasi dari beberapa spesies krustase. Transgenic fish technology is a potential modern technique in producing better character organism through DNA recombinant of target genes including anti viral gene for improvement of shrimp immunity. PmAV (Penaeus monodon Anti Viral gene is one of anti viral genes isolated from crustacean species. The research was conducted to analyze the characteristics anti viral gene isolated from tiger prawn, Penaeus monodon. Anti viral gene was isolated using Polymerase Chain Reaction (PCR technique and then purified for sequencing. Data obtained were analyzed using Genetyx Version 7 software and basic local alignment

Rings in drugs.

Science.gov (United States)

Taylor, Richard D; MacCoss, Malcolm; Lawson, Alastair D G

2014-07-24

We have analyzed the rings, ring systems, and frameworks in drugs listed in the FDA Orange Book to understand the frequency, timelines, molecular property space, and the application of these rings in different therapeutic areas and target classes. This analysis shows that there are only 351 ring systems and 1197 frameworks in drugs that came onto the market before 2013. Furthermore, on average six new ring systems enter drug space each year and approximately 28% of new drugs contain a new ring system. Moreover, it is very unusual for a drug to contain more than one new ring system and the majority of the most frequently used ring systems (83%) were first used in drugs developed prior to 1983. These observations give insight into the chemical novelty of drugs and potentially efficient ways to assess compound libraries and develop compounds from hit identification to lead optimization and beyond.

Hydrogenation of tetralin in the presence of dibenzothiophene and quinoline on Pt-Pd/SiO{sub 2}-Al{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gutierrez, O.Y.; Yu, Y.; Jentys, A.; Lercher, J.A. [Technische Univ. Muenchen, Garching (Germany). Dept. of Chemistry and Catalysis Research Center

2012-07-01

Three Pt-Pd catalysts with 0.3 and 0.5 wt.% of Pt and Pd, respectively, were supported on amorphous silica alumina with Al{sub 2}O{sub 3}:SiO{sub 2} wt.% ratios of 20:80, 30:70 and 55:45. The materials were characterized by physisorption of N{sub 2}, TEM, X-ray absorption spectroscopy and adsorption of pyridine and CO followed by IR spectroscopy. The EXAFS fitting and IR characterization showed that bimodal distributions of monometallic Pd and bimetallic Pt-Pd particles. The bimetallic particles in all catalysts have a Pt-rich core and a Pd-rich shell. However, the degree of alloying and proportion of exposed Pt increases with increasing concentration of Lewis acid sites (LAS) in the support, probably because the LAS are good anchoring sites for Pt species. The activity of the catalysts for the hydrogenation of tetralin in the presence of DBT and quinoline, and the corresponding selectivity to cis-decalin increase with the proportion of exposed Pt. Therefore, in the presence of DBT and quinoline the morphology of bimetallic clusters is the parameter determining its hydrogenation performance. (orig.)

Algoritmos genéticos

Directory of Open Access Journals (Sweden)

José Jesús Martínez Páez

1998-10-01

Full Text Available Esta técnica se basa en el concepto de evolución a través de selección de los mejores individuos, y de los operadores genéticos de selección, reproducción y mutación. Se trata entonces, de definir un espacio de soluciones para el problema que se quiere solucionar, en una cadena de bits. A esto se le conoce como la codificación del cromosoma, donde cada bit, denominado gen  tiene cierto significado especial. Inicialmente el algoritmo genera al azar muchas de estas cadenas o seres, es decir, una población, que luego confronta can un ambiente, que es el problema solucionar o función que se quiere optimizar. De esta confrontación  o evaluación a que se somete cada ser. Se obtiene información sobre cómo se comporto cada uno. A través de métodos aleatorios, pero con probabilidad de selección proporcional a su comportamiento, es decir, a mejor comportamiento mayor probabilidad, se selecciona una nueva población de seres supuestamente mejores que la generación anterior.

Ekspresi Gen CYP19 Aromatase, Estrogen, Androgen pada penderita Periodontitis Agresif

Directory of Open Access Journals (Sweden)

Dahlia Herawati

2016-11-01

Full Text Available Kepadatan tulang tubuh ditentukan oleh gen CYP19 aromatase, hormon estrogen dan androgen. Pada periodontitis agresif terjadi perkembangan cepat kerusakan tulang alveolar, dan kerusakan tulang alveoler tersebut tidak diimbangioleh regenerasi tulang. Tujuan penelitian ini adalah menunjukkan ekspresi gen CYP19 aromatase, estrogen, androgen pada penderita periodontitis agresif agar dapat untuk menjadi pertimbangan pada saat melakukan perawatan periodontal. Metode penelitian, pemeriksaan ekspresi gen aromatse CYP19 berasal dari spesimen tulang alveolar menggunakan imunohistokimia, pengukuran hormon estrogen dan androgen dari serum menggunakan Vidas: Elfa. Hasil penelitian ekspresi gene CYP19 aromatase pada periodontitis agresif menunjukkan gambaran lebih rendah densitasnya dibandingkan pada nonperiodontitis. Estrogen dan androgen pad aperiodontitis agresif ada kecenderungan lebih rendah dibandingkan pada nonperiodontitis. Kesimpulan regenerasi tulang alveoler pad a periodontitis agresif terhambat karena sedikitnya gen CYP19 aromatase dan hormon estrogen dan androgen yang berperan pada pembentukan tulang alveoler kurang memadai.

Influencia del solvente en el espectro ultravioleta de nitro y amino bifenilos

Directory of Open Access Journals (Sweden)

María Cristina B. de Gómez

2009-07-01

Full Text Available Los nitro y amino bifenilos fueron sintetizados, caracterizados y usados como solutos, para determinarles su espectro U.V. Los solventes empleados corresponden a la serie de los alcoholes, como son: Metanol, Etanol, n- e iso-Propanol, n-, iso- y sec-Butanol. Se encontró que la posición de la banda de máxima absorción de cada una de las soluciones se relaciona tanto con las características del soluto como del solvente. Estos efectos se resumen en la ecuación de Rao (12, cuya aplicabilidad queda confirmada para este caso.

Interaction between N-methyl-N'-nitro-N-nitrosoguanidine and ultraviolet irradiation on Bacillus subtilis

International Nuclear Information System (INIS)

Lotareva, O.V.

1990-01-01

The mutagenic interaction between ultraviolet-irradiation and the alkylating agent N-methyl-N'-nitro-N-nitrosoguanidine was studied in a repaid-competent and excision-deficient strains of Bacillus subtilis. Pre-exposure to low doses of MNNG with following treatment by low and intermediate doses of UV-light increase the resistance of Bac. subtilis to UV-radiation (antagonistic effect). Probably pre-exposition with MNNG leads to induction of enzymes reparation, UV-damages being controlled with adaptive respons genes

La genética de las poblaciones centroamericanas

OpenAIRE

Barrantes, Ramiro

2005-01-01

Las poblaciones centroamericanas no han sido objeto de muchos estudios genéticos con la excepción de análisis esporádicos de la variación entre y dentro de los grupos amerindios y de origen africano ubicados en el área. No obstante, en los últimos 15 años se efectuaron investigaciones sistemáticas en este sentido incluyendo poblaciones mestizas, particularmente las de Costa Rica y Panamá. En los amerindios se efectuaron estudios detallados de su estructura genética y las relaciones filogenéti...

Protective Effects of 10-nitro-oleic Acid in a Hypoxia-Induced Murine Model of Pulmonary Hypertension

Czech Academy of Sciences Publication Activity Database

Klinke, A.; Moeller, A.; Pekarová, Michaela; Ravekes, T.; Friedrichs, K.; Berlin, M.; Scheu, K.M.; Kubala, Lukáš; Kolářová, Hana; Ambrožová, Gabriela; Schermuly, R.T.; Woodcock, S.R.; Freeman, B.A.; Rosenkranz, S.; Baldus, S.; Rudolph, V.; Rudolph, T.K.

2014-01-01

Roč. 51, č. 1 (2014), s. 155-162 ISSN 1044-1549 R&D Projects: GA MŠk(CZ) ED1.100/02/0123; GA ČR(CZ) GP13-40824P Grant - others:GAAV(CZ) M200041208 Institutional support: RVO:68081707 Keywords : NITRO-FATTY ACIDS * MUSCLE-CELL PROLIFERATION * ARTERIAL - HYPERTENSION Subject RIV: BO - Biophysics Impact factor: 3.985, year: 2014

The phosphorylation status and cytoskeletal remodeling of striatal astrocytes treated with quinolinic acid

International Nuclear Information System (INIS)

Pierozan, Paula; Ferreira, Fernanda; Ortiz de Lima, Bárbara; Gonçalves Fernandes, Carolina; Totarelli Monteforte, Priscila; Castro Medaglia, Natalia de; Bincoletto, Claudia; Soubhi Smaili, Soraya; Pessoa-Pureur, Regina

2014-01-01

Quinolinic acid (QUIN) is a glutamate agonist which markedly enhances the vulnerability of neural cells to excitotoxicity. QUIN is produced from the amino acid tryptophan through the kynurenine pathway (KP). Dysregulation of this pathway is associated with neurodegenerative conditions. In this study we treated striatal astrocytes in culture with QUIN and assayed the endogenous phosphorylating system associated with glial fibrillary acidic protein (GFAP) and vimentin as well as cytoskeletal remodeling. After 24 h incubation with 100 µM QUIN, cells were exposed to 32 P-orthophosphate and/or protein kinase A (PKA), protein kinase dependent of Ca 2+ /calmodulin II (PKCaMII) or protein kinase C (PKC) inhibitors, H89 (20 μM), KN93 (10 μM) and staurosporin (10 nM), respectively. Results showed that hyperphosphorylation was abrogated by PKA and PKC inhibitors but not by the PKCaMII inhibitor. The specific antagonists to ionotropic NMDA and non-NMDA (50 µM DL-AP5 and CNQX, respectively) glutamate receptors as well as to metabotropic glutamate receptor (mGLUR; 50 µM MCPG), mGLUR1 (100 µM MPEP) and mGLUR5 (10 µM 4C3HPG) prevented the hyperphosphorylation provoked by QUIN. Also, intra and extracellular Ca 2+ quelators (1 mM EGTA; 10 µM BAPTA-AM, respectively) prevented QUIN-mediated effect, while Ca 2+ influx through voltage-dependent Ca 2+ channel type L (L-VDCC) (blocker: 10 µM verapamil) is not implicated in this effect. Morphological analysis showed dramatically altered actin cytoskeleton with concomitant change of morphology to fusiform and/or flattened cells with retracted cytoplasm and disruption of the GFAP meshwork, supporting misregulation of actin cytoskeleton. Both hyperphosphorylation and cytoskeletal remodeling were reversed 24 h after QUIN removal. Astrocytes are highly plastic cells and the vulnerability of astrocyte cytoskeleton may have important implications for understanding the neurotoxicity of QUIN in neurodegenerative disorders. - Highlights: �

Radiation-induced coloration of nitro blue tetrazolium gel dosimeter for low dose applications

International Nuclear Information System (INIS)

Abdel-Fattah, A.A.; Beshir, W.B.; Hassan, H.M.; Soliman, Y.S.

2017-01-01

A radiochromic sensor of nitro blue tetrazolium (NBT) in gelatin was evaluated as a new gel dosimeter for radiation applications. The NBT gel has the advantage of visual color change from faint yellow to violet at low absorbed doses (10–1000 Gy). This color change appears as a result of the reduction of NBT to colored formazan then to diformazan species with further increase of absorbed doses. Responses of the gel at different NBT concentrations were analyzed at the absorption maximum centered at 527 nm. An increase of NBT concentrations in the gel enhances the radiation dose sensitivity. Energy dependent study implies the tissue equivalency of the gel in the energy range of 0.15–20 MeV. Dependence of the gel response on irradiation temperature, and color stability before and after irradiation were also studied. The combined uncertainty associated with the dose monitoring (10–1000 Gy) is 6.26% (2σ). Thus, the NBT gel shows its suitability for food irradiation, insect population control, and some food irradiation applications. - Highlights: • Preparation of nitro blue tetrazolium (NBT) gel for the dose range of 10–1000 Gy. • The sensitivity of it increases with increasing NBT concentrations. • The response of irradiated dosimeter is stable after 5 h from irradiation. • The prepared gel dosimeter is a tissue equivalent. • Its combined uncertainty is equal to 6.26% for 10–1000 Gy dose level.

Tautomerism, ionization, and bond dissociations of 5-nitro-2,4-dihydro-3H-1,2,4-triazolone.

NARCIS (Netherlands)

Harris, N.J.; Lammertsma, K.

1996-01-01

Tautomerization, ionization, and bond dissociations of the insensitive high-energy explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazolone (NTO) were studied by molecular orbital SCF and MP2 theories and with the Becke3LYP hybrid density functional using the 6-31+G* and 6-311+G** basis sets. Energies

Luminescent MOFs comprising mixed tritopic linkers and Cd(II)/Zn(II) nodes for selective detection of organic nitro compounds and iodine capture

Energy Technology Data Exchange (ETDEWEB)

Rachuri, Yadagiri; Bisht, Kamal Kumar [Analytical Discipline and Centralized Instrument Facility, CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Academy of Scientific and Innovative Research (AcSIR), CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Parmar, Bhavesh [Analytical Discipline and Centralized Instrument Facility, CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Suresh, Eringathodi, E-mail: esuresh@csmcri.org [Analytical Discipline and Centralized Instrument Facility, CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India); Academy of Scientific and Innovative Research (AcSIR), CSIR–Central Salt and Marine Chemicals Research Institute, Council of Scientific and Industrial Research, G. B. Marg, Bhavnagar 364002, Gujarat (India)

2015-03-15

Two CPs ([Cd{sub 3}(BTC){sub 2}(TIB){sub 2}(H{sub 2}O){sub 4}].(H{sub 2}O){sub 2}){sub n} (1) and ([Zn{sub 3}(BTC){sub 2}(TIB){sub 2}].(H{sub 2}O){sub 6}){sub n} (2) composed of tripodal linkers BTC (1,3,5-benzenetricarboxylate) and TIB (1,3,5-tris(imidazol-1-ylmethyl)benzene) were synthesized via solvothermal route and structurally characterized. Single crystal structural analysis reveals 1 possesses a novel 3D framework structure, whereas 2 represents a previously established compound. Owing to the d{sup 10} configuration of metal nodes and robust 3D frameworks, 1 and 2 exhibit excellent fluorescence properties which have been exploited to sense organic nitro compounds in vapor phase. Compound 1 demonstrates selective sensing of nitromethane over structurally similar methanol with ca. 70 and 43% fluorescence quenching in case of former and later. Similarly, 58% fluorescence quenching was observed in case of nitrobenzene over the structurally resembling toluene for which 30% quenching was observed. Compound 2 did not show any preference for nitro compounds and exhibited comparable fluorescence quenching when exposed to the vapors of nitro or other geometrically resembling organic molecules. Furthermore, adsorption experiments revealed that 1 and 2 can uptake 2.74 and 14.14 wt% molecular iodine respectively in vapor phase which can be released in organic solvents such as hexane and acetonitrile. The maximal iodine uptake in case of 1 and 2 corresponds to 0.15 and 0.80 molecules of iodine per formula unit of respective frameworks. Comprehensive structural description, thermal stability and luminescence behavior for both CPs has also been presented. - Graphical abstract: Two 3D luminescent CPs comprising mixed tripodal ligands have been hydrothermally synthesized and structurally characterized. Iodine encapsulation capacity of synthesized CPs is evaluated and their fluorescence quenching in presence of small organic molecules is exploited for sensing of nitro

Traffic Generator (TrafficGen) Version 1.4.2: Users Guide

Science.gov (United States)

2016-06-01

the network with Transmission Control Protocol and User Datagram Protocol Internet Protocol traffic. Each node generating network traffic in an...TrafficGen Graphical User Interface (GUI) 3 3.1 Anatomy of the User Interface 3 3.2 Scenario Configuration and MGEN Files 4 4. Working with...for public release; distribution is unlimited. vi List of Figures Fig. 1 TrafficGen user interface

1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

Science.gov (United States)

Shao, Chang-Lun; Li, Chunyuan; Liu, Zhen; Wei, Mei-Yan; Wang, Chang-Yun

2008-03-20

The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

White Ring; White ring

Energy Technology Data Exchange (ETDEWEB)

Aoki, H.; Yuzawa, H. [Nikken Sekkei Ltd., Osaka (Japan)

1998-01-05

White Ring is a citizen`s gymnasium used for figure skating and short track speed skating games of 18th Winter Olympic Games in 1998. White Ring is composed of a main-arena and a sub-arena. For the main-arena with an area 41mtimes66m, an ice link can be made by disengaging the potable floor and by flowing brine in the bridged polystyrene pipes embedded in the concrete floor. Due to the fortunate groundwater in this site, well water is used for the outside air treatment energy in 63% during heating and in 35% during cooling. Ammonia is used as a cooling medium for refrigerating facility. For the heating of audience area in the large space, heat load from the outside is reduced by enhancing the heat insulation performance of the roof of arena. The audience seats are locally heated using heaters. For the White Ring, high quality environment is realized for games through various functions of the large-scale roof of the large space. Success of the big event was expected. 15 figs., 4 tabs.

Token Ring Project

Directory of Open Access Journals (Sweden)

Adela Ionescu

2007-01-01

Full Text Available Ring topology is a simple configuration used to connect processes that communicate among themselves. A number of network standards such as token ring, token bus, and FDDI are based on the ring connectivity. This article will develop an implementation of a ring of processes that communicate among themselves via pipe links. The processes are nodes in the ring. Each process reads from its standard input and writes in its standard output. N-1 process redirects the its standard output to a standard input of the process through a pipe. When the ring-structure is designed, the project can be extended to simulate networks or to implement algorithms for mutual exclusion

Semi-algebraic function rings and reflectors of partially ordered rings

CERN Document Server

Schwartz, Niels

1999-01-01

The book lays algebraic foundations for real geometry through a systematic investigation of partially ordered rings of semi-algebraic functions. Real spectra serve as primary geometric objects, the maps between them are determined by rings of functions associated with the spectra. The many different possible choices for these rings of functions are studied via reflections of partially ordered rings. Readers should feel comfortable using basic algebraic and categorical concepts. As motivational background some familiarity with real geometry will be helpful. The book aims at researchers and graduate students with an interest in real algebra and geometry, ordered algebraic structures, topology and rings of continuous functions.

TRANSFER GEN ANTIVIRUS PADA EMBRIO UDANG WINDU, Penaeus monodon DALAM BERBAGAI KONSENTRASI DEOXYRIBO NUCLEIC ACID

Directory of Open Access Journals (Sweden)

Andi Parenrengi

2011-12-01

Full Text Available Teknologi transgenesis khususnya rekayasa genetik untuk menghasilkan udang windu resisten penyakit merupakan salah satu strategi yang dapat dilakukan dalam upaya pemecahan masalah penyakit yang menimpa budidaya udang windu. Teknologi transgenesis khususnya transfer gen antivirus pada udang windu telah berhasil dilakukan melalui teknik transfeksi. Meskipun demikian optimalisasi komponen teknologi tersebut masih perlu dilakukan. Konsentrasi DNA gen merupakan salah satu komponen teknologi transgenesis yang harus dioptimalkan untuk mendapatkan efisiensi dalam transfer gen. Penelitian bertujuan untuk mengetahui konsentrasi DNA gen antivirus yang optimal sebagai bahan transfer gen ke embrio menggunakan metode transfeksi. Embrio udang windu yang diperoleh dari hasil pemijahan induk asal Aceh, dikoleksi 5-10 menit setelah memijah dengan kepadatan 625 telur/2 mL. Transfeksi dilakukan dengan menggunakan media larutan transfeksi jetPEI dengan konsentrasi DNA gen antivirus sebagai perlakuan, yakni: 5, 10, dan 15 µg serta kontrol positif (tanpa plasmid DNA dan negatif (tanpa plasmid DNA dan larutan transfeksi, masing-masing 3 ulangan. Embrio hasil transfeksi ditetaskan pada stoples berisi air laut sebanyak 2 L yang diletakkan pada waterbath. Hasil penelitian menunjukkan bahwa gen antivirus telah berhasil diintroduksi ke embrio udang windu. Hasil analisis ragam menunjukkan bahwa perbedaan konsentrasi DNA (5-15 µg tidak berpengaruh nyata (P>0,05 terhadap daya tetas embrio udang windu. Analisis ekspresi gen pada larva udang windu juga menunjukkan adanya aktivitas ekspresi gen antivirus pada semua perlakuan konsentrasi DNA, di mana ekspresi gen antivirus pada larva transgenik lebih tinggi dibandingkan dengan kontrol (tanpa transfeksi. Sintasan pasca-larva PL-1 yang didapatkan pada penelitian ini adalah 12,0%; 10,0%; 10,6%; 12,3%; dan 14,2% masing-masing untuk perlakuan konsentrasi plasmid DNA 5 µg, 10 µg, 15 µg, kontrol positif dan negatif, di mana

Rotating ring-ring electrode theory and experiment

NARCIS (Netherlands)

Kuiken, H.K.; Bakkers, E.P.A.M.; Ligthart, H.; Kellyb, J.J.

2000-01-01

A model is presented for the rotating ring-ring electrode. Although the electrode is defined by four characteristic lengths, it is shown that the collection efficiency depends on only two dimensionless parameters. A simple relationship between these and the corresponding parameters for the rotating

Mejoramiento genético acelerado de angiospermas perennes vía inducción floral por sobre-expresión del gen FT

Directory of Open Access Journals (Sweden)

Rafael Urrea López

2018-05-01

Full Text Available Los bosques y selvas enfrentan el reto de satisfacer la demanda por recursos de una población en crecimiento, así como la amenaza del rápido cambio climático que exacerba la magnitud y frecuencia de estreses bióticos y abióticos. Para ello, es urgente acelerar el mejoramiento genético de especies forestales. Sin embargo, sus largas etapas juveniles y asincronía floral retrasan peligrosamente este proceso. El presente ensayo explora los adelantos biotecnológicos en inducción floral y su potencial aplicación en especies forestales. Entre los genes identificados y caracterizados que participan en la ruta de señalización de la floración, especial atención se destina al gen FLOWERING LOCUS T, considerado un integrador de rutas de señalización altamente conservado entre las angiospermas, que, al sobre-expresarse por ingeniería genética, es capaz de inducir la floración de forma eficiente. Esta novedosa estrategia biotecnológica se ha utilizado, recientemente, para segregar genes de resistencia a enfermedades, en un menor tiempo, en germoplasma comercial de manzana y ciruela. Permite soslayar barreras naturales que por mucho tiempo han restringido a las especies forestales al mejoramiento por selección, principalmente. Entre sus ventajas está la de poder restringirla al proceso y no al producto, para acelerar las cruzas sexuales sin modificar genéticamente la progenie; se aleja así de la controversia alrededor de la liberación y consumo de organismos genéticamente modificados, y de los costos y trámites obligatorios para los OGM para monitoreo de posibles riesgos. Se proyecta como una tecnología que puede acelerar, significativamente, el mejoramiento de especies forestales.

Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

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Chengfeng Zhu

2017-03-01

Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

Aconselhamento genético Genetic counseling

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João Monteiro de Pina-Neto

2008-08-01

Full Text Available OBJETIVO: Esta revisão sobre aconselhamento genético (AG teve o objetivo de mostrar os conceitos atuais e os princípios filosóficos e éticos aceitos na grande maioria dos países e recomendados pela Organização Mundial da Saúde, as fases do processo, seus resultados e o impacto psicológico de uma doença genética em uma família. FONTES DOS DADOS: Os conceitos apresentados são baseados em uma síntese histórica da literatura sobre AG desde a década de 1930 até o momento atual, sendo que os artigos citados representam os principais trabalhos publicados e que hoje fundamentam a teoria e a prática do AG. SÍNTESE DOS DADOS: O AG modernamente é definido como um processo de comunicação que trata dos problemas humanos relacionados à ocorrência de uma doença genética em uma família. É fundamental que os profissionais da saúde conheçam os aspectos psicológicos desencadeados pela doença genética e como estes aspectos podem ser manejados. Vivemos ainda na genética humana e médica uma fase de predomínio dos aspectos técnicos e científicos e de pouca ênfase no estudo das reações emocionais e dos processos de adaptação das pessoas a estas doenças, o que leva ao baixo entendimento dos clientes sobre os fatos ocorridos, com conseqüências negativas sobre a vida familiar e para a sociedade. CONCLUSÕES: Conclui-se pela necessidade de que as famílias com doenças genéticas sejam encaminhadas para AG e que os profissionais desta área invistam mais na humanização do atendimento, desenvolvendo mais as técnicas do AG psicológico não-diretivo.OBJECTIVE: The objective of this review of genetic counseling (GC is to describe the current concepts and philosophical and ethical principles accepted by the great majority of countries and recommended by the World Health Organization, the stages of the process, its results and the psychological impact that a genetic disease has on a family. SOURCES: The concepts presented are

Estudio de la variabilidad genética en camélidos bolivianos

OpenAIRE

Barreta Pinto, Julia

2013-01-01

El estudio de los camélidos sudamericanos es de gran interés en los países andinoscomo Perú, Bolivia, Chile, Argentina, debido a su importante valor económico y suimportancia en el mantenimiento y desarrollo de las poblaciones rurales en dichos países. Dada la falta de estudios genéticos centrados en las poblaciones de camélidos quehabitan en Bolivia, y la necesidad de realizar una valoración de la diversidad genética deestas poblaciones, la presente Tesis doctoral ha abordado el estudio gené...

Topological ring currents in the "empty" ring of benzo-annelated perylenes.

Science.gov (United States)

Dickens, Timothy K; Mallion, Roger B

2011-01-27

Cyclic conjugation in benzo-annelated perylenes is examined by means of the topological π-electron ring currents calculated for each of their constituent rings, in a study that is an exact analogy of a recent investigation by Gutman et al. based on energy-effect values for the corresponding rings in each of these structures. "Classical" approaches, such as Kekulé structures, Clar "sextet" formulas, and circuits of conjugation, predict that the central ring in perylene is "empty" and thus contributes negligibly to cyclic conjugation. However, conclusions from the present calculations of topological ring currents agree remarkably with those arising from the earlier study involving energy-effect values in that, contrary to what would be predicted from the classical approaches, rings annelated in an angular fashion relative to the central ring of these perylene structures materially increase the extent of that ring's involvement in cyclic conjugation. It is suggested that such close quantitative agreement between the predictions of these two superficially very different indices (energy effect and topological ring current) might be due to the fact that, ultimately, both depend, albeit in ostensibly quite different ways, only on an adjacency matrix that contains information about the carbon-carbon connectivity of the conjugated system in question.

ASN’s actions in GEN IV reactors and Sodium Fast Reactors (SFR)

International Nuclear Information System (INIS)

Belot, Clotilde

2013-01-01

The ASN is involved in 3 actions concerning GEN IV: • Overview of nuclear reactor GEN IV systems; • Specific analysis about transmutation; • Prototype reactor ASTRID (SFR). Furthermore theses actions are in the beginning (no conclusions or results available)

The purification of coal tar by the addition of quinoline and Zn(oh)/sub 2/

International Nuclear Information System (INIS)

Zhou, P.; Chen, Q.L.; Ao, X.Q.; Kang, C

2017-01-01

The coal tar was purified by the addition of quinoline and Zn(OH)2, in order to decrease the content of carbon and inorganic oxide particles. The effect on the viscosity and ash content of the coal tar were investigated by altering temperature, time, and the amount of quinolone and Zn(OH)2 . When the volume ratio between quinolone and coal tar was 20:1 and the static time was 24 h. The viscosity of three layers decreased with rising temperature. When the static temperature and time was 45 °C and 24 h, respectively. The viscosity of three layers decreased with the arising amount of quinoline. And when the volume ratio between quinolone and coal tar was 20:1 and the temperature was 45 °C. The viscosity of three layers decreased first and then increased with the prolonging of static time. And when the static time of coal tar was 24 h, the viscosity of coal tar is the lowest. Because of the lower viscosity of coal tar, decreasing the content of carbon and ash particles in upper and middle layer, the ash content decreased from 0.168% to 0.092%. The addition of Zn(OH)2 can lead ash content in middle layer decrease to 0.058%. Zn2SiO4 and ZnAl2O4 may be produced due to the reaction between Zn (OH) 2 and SiO2 or Al2O3, which can settle down easily. The results show that the content of carbon and inorganic oxide particles in upper-middle-class (the middle 4/5 of the whole volume) decreased with the addition of quinolone and Zn(OH)2 . When the volume ratio between quinolone and coal tar was 50:2, quality ratio between coal tar and Zn(OH)2 was 20000:1, the mixture were heated up to 45 °C at atmospheric pressure and keeping this constant temperature for 24 h, the ash content in upper-middle-class can decreased to 0.058%. (author)

Silver salt of 4,6-diazido-N-nitro-1,3,5-triazine-2-amine - characterization of this primary explosive

Czech Academy of Sciences Publication Activity Database

Musil, T.; Matyáš, R.; Vala, R.; Růžička, A.; Vlček, Milan

2014-01-01

Roč. 39, č. 2 (2014), s. 251-259 ISSN 0721-3115 Institutional support: RVO:61389013 Keywords : primary explosive * AgDANT * silver salt of 4,6-diazido-N-nitro-1,3,5-triazine-2-amine Subject RIV: CC - Organic Chemistry Impact factor: 1.604, year: 2014

Synthesis, characterization and biological studies of 2-(4-nitro phenylaminocarbonyl)benzoic acid and its complexes with Cr(III), Co(II), Ni(II), Cu(II) and Zn(II)

International Nuclear Information System (INIS)

Aqeel Ashraf, M.; Jamil Maah, M.; Yusuf, I.

2012-01-01

Cr(III), Co(II), Ni(II), Cu(II) and Zn(II) salts of 2-(4-nitro phenylaminocarbonyl)benzoic acid were characterized by physical, analytical and spectroscopic studies and checked for their in-vitro antimicrobial activity against three bacterial strains, Mycobacterium smegmatis (Gram +ve), Escherichia coli (Gram -ve), Pseudomonas aeuroginosa (Gram -ve) and three fungal strains, Nigrospora oryzae, Aspergillus niger and Candida albicans. The antimicrobial activities of the metal complexes - were found to be greater than those of 2-(4-nitro phenylaminocarbonyl)benzoic acid alone.

Kayser-Fleischer Rings

Science.gov (United States)

... Support Contacts Lab Tracker/Copper Calculator Stories Programs & Research ... About Everything you need to know about Wilson Disease Kayser-Fleischer Rings Definition Kayser-Fleischer Ring: Clinical sign. Brownish-yellow ring visible around the corneo- ...

Planetary Rings

Science.gov (United States)

Nicholson, P. D.

2001-11-01

A revolution in the studies in planetary rings studies occurred in the period 1977--1981, with the serendipitous discovery of the narrow, dark rings of Uranus, the first Voyager images of the tenuous jovian ring system, and the many spectacular images returned during the twin Voyager flybys of Saturn. In subsequent years, ground-based stellar occultations, HST observations, and the Voyager flybys of Uranus (1986) and Neptune (1989), as well as a handful of Galileo images, provided much additional information. Along with the completely unsuspected wealth of detail these observations revealed came an unwelcome problem: are the rings ancient or are we privileged to live at a special time in history? The answer to this still-vexing question may lie in the complex gravitational interactions recent studies have revealed between the rings and their retinues of attendant satellites. Among the four known ring systems, we see elegant examples of Lindblad and corotation resonances (first invoked in the context of galactic disks), electromagnetic resonances, spiral density waves and bending waves, narrow ringlets which exhibit internal modes due to collective instabilities, sharp-edged gaps maintained via tidal torques from embedded moonlets, and tenuous dust belts created by meteoroid impact onto parent bodies. Perhaps most puzzling is Saturn's multi-stranded, clumpy F ring, which continues to defy a simple explanation 20 years after it was first glimpsed in grainy images taken by Pioneer 11. Voyager and HST images reveal a complex, probably chaotic, dynamical interaction between unseen parent bodies within this ring and its two shepherd satellites, Pandora and Prometheus. The work described here reflects contributions by Joe Burns, Jeff Cuzzi, Luke Dones, Dick French, Peter Goldreich, Colleen McGhee, Carolyn Porco, Mark Showalter, and Bruno Sicardy, as well as those of the author. This research has been supported by NASA's Planetary Geology and Geophysics program and the

1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl-3-(3-methoxyphenylprop-2-en-1-one

Directory of Open Access Journals (Sweden)

Wan-Sin Loh

2010-01-01

Full Text Available In the title compound, C26H20ClNO2, the quinoline ring system is approximately planar with a maximum deviation of 0.028 (2 Å and forms a dihedral angle of 73.84 (5° with the phenyl ring. Two neighbouring molecules are arranged into a centrosymmetric dimer through a pair of intermolecular C—H...Cl interactions. A pair of intermolecular C—H...O hydrogen bonds link two methoxyphenyl groups into another centrosymmetric dimer, generating an R22(8 ring motif. The structure is further stabilized by C—H...π interactions.

SIPSMetGen: It's Not Just For Aircraft Data and ECS Anymore.

Science.gov (United States)

Schwab, M.

2015-12-01

The SIPSMetGen utility, developed for the NASA EOSDIS project, under the EED contract, simplified the creation of file level metadata for the ECS System. The utility has been enhanced for ease of use, efficiency, speed and increased flexibility. The SIPSMetGen utility was originally created as a means of generating file level spatial metadata for Operation IceBridge. The first version created only ODL metadata, specific for ingest into ECS. The core strength of the utility was, and continues to be, its ability to take complex shapes and patterns of data collection point clouds from aircraft flights and simplify them to a relatively simple concave hull geo-polygon. It has been found to be a useful and easy to use tool for creating file level metadata for many other missions, both aircraft and satellite. While the original version was useful it had its limitations. In 2014 Raytheon was tasked to make enhancements to SIPSMetGen, this resulted a new version of SIPSMetGen which can create ISO Compliant XML metadata; provides optimization and streamlining of the algorithm for creating the spatial metadata; a quicker runtime with more consistent results; a utility that can be configured to run multi-threaded on systems with multiple processors. The utility comes with a java based graphical user interface to aid in configuration and running of the utility. The enhanced SIPSMetGen allows more diverse data sets to be archived with file level metadata. The advantage of archiving data with file level metadata is that it makes it easier for data users, and scientists to find relevant data. File level metadata unlocks the power of existing archives and metadata repositories such as ECS and CMR and search and discovery utilities like Reverb and Earth Data Search. Current missions now using SIPSMetGen include: Aquarius, Measures, ARISE, and Nimbus.

Spectral and time-resolved properties of photoinduced hydroxyquinolines doped thin polymer films

Science.gov (United States)

Mehata, Mohan Singh

2018-01-01

Quinoline and its derivatives have a wide range of biological and pharmacological activities. Quinoline ring is used to design functional materials (quinoline derivatives) for OLEDs and field-induce electrooptics. It possesses antibacterial, antifungal, antimalarial, cardiotonic, anthelmintic, anti-inflammatory, anticonvulsant and analgesic activity. Here, we have examined photoexcitation dynamics of 6-hydroxyquinoline (6-HQ) doped in polymer films of polymethyl methacrylate (PMMA), polyvinyl alcohol (PVA) and cellulose acetate (CA) at atmospheric conditions. The absorption maximum of 6-HQ in polymer films was observed at 333 ± 1 nm, whereas fluorescence (FL) maximum fell in the range of 365-371 nm. In PVA film, in addition to the typical FL, a band maximum at 432 nm appeared as a result of an excited-state intermolecular proton transfer (ESIPT) reaction facilitated in the hydrogen-bonded complex formed in the ground state between 6-HQ:PVA. The multi-exponential decay behavior of 6-HQ in all the three polymer films indicates a nanoscale heterogeneity of the polymer environments.

3,4-Dimethoxy-N-(4-nitrobenzylideneaniline

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Aliasghar Jarrahpour

2008-11-01

Full Text Available In the title molecule, C15H14N2O4, the dihedral angle between the two benzene rings is 29.52 (8°. The nitro and two methoxy substituents are almost coplanar with their respective benzene rings. The crystal structure is stabilized by intermolecular C—H...O interactions.

O futuro da epidemiologia genética de características complexas

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Feitosa Mary F.

2002-01-01

Full Text Available A epidemiologia genética evoluiu de um enfoque em estudos sobre doenças mendelianas raras para a análise genética de características complexas. Com o advento de informações sobre a completa seqüência de genes ao longo do genoma humano e de outros organismos, o interesse da epidemiologia genética em desvendar a natureza dos fatores que influenciam essas características se tornou primordial. São apresentados os principais métodos empregados no estudo de doenças complexas bem como suas principais vantagens e desvantagens. Discute-se a importância na determinação da amostra e o uso de fenótipos e marcadores genéticos apropriados. Como exemplo das estratégias citadas tomamos o estudo de índice de massa corporal (BMI para ilustrar um fator genético principal localizado no cromossomo 7. Em uma discussão sobre tendências no estudo de ligação, embora reconhecendo que famílias e genealogias continuarão sendo o foco principal das amostras, discute-se alguns novos e eficientes tipos de amostragem (como por exemplo, controles não-relacionados em que amostras de conjunto de DNA serão universalmente empregadas. O reconhecimento da heterogeneidade genética entre estudos e sua interpretação será uma das mais importantes características no futuro das análises de características complexas.

Doping Genético e Eugenia: Diálogos além do esporte

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Tiago Vieira Bomtempo

2016-01-01

Full Text Available La ingeniería genética trajo posibilidades antes inimaginables, en la que no hace mucho tiempo era visto sólo en las películas. De la terapia génica, dirigida hacia una corrección o cura de una enfermedad, pasa a la posibilidad del mejoramiento genético, actualmente vislumbrado en el mundo del deporte con el doping genético. ¿Pero, el doping genético no estaría violando el derecho al patrimonio genético no modificado? Aunque la intervención genética no se transmita a los descendentes, habría un mejoramiento genético, que afectaría el genoma del atleta y lo diferenciaría de los demás atletas y otros individuos, hiriendo el principio de igualdad en detrimento de la autonomía privada, pudiéndose estar hablando inicialmente de una relación de dominación, aunque sea en razón al rendimiento físico en el deporte. En este sentido, estas innovaciones que atraviesan el campo de la ingeniería genética, infunden una preocupación acerca de la manipulación genética en las generaciones futuras, punto de discusión no sólo biomédica, sino también bioético y biojurídico. Así, surge una preocupación si estos nuevos avances pueden afectar a la dignidad humana delante de una posible eugenesia, debido a la proyección de personas y la consecuente discriminación por determinada identidad genética. Junto a esto, el objetivo de este artículo es investigar si el dopaje genético ofendería el derecho al patrimonio genético no modificado y los derechos de las generaciones futuras, dando lugar a una nueva forma de eugenesia, al no permitir el ejercicio igualitario de las libertades fundamentales. Por lo tanto, se hace necesaria una investigación basada en los autores de la bioética y el bioderecho, así como también los textos legales nacionales e internacionales que involucran el tema. Es indispensable la discusión de estas cuestiones, sobre todo con la proximidad de los Juegos Olímpicos de Verano en Brasil en este año 2016

Preparation for electron ring - plasma ring merging experiments in RECE-MERGE

International Nuclear Information System (INIS)

Taggart, D.; Sekiguchi, A.; Fleischmann, H.H.

1986-01-01

The formation of a mixed-CT using relativistic electron rings and gun-produced plasma rings by MERGE-ing them axially is simulated. This process is similar to the axial stacking of relativistic electron rings in RECE-Christa. The results of their first plasm production experiment are reported here. After study of the gun-produced plasma's properties is completed, the gun will be mounted at the downstream end of the vacuum tank and the source of relativistic electron rings will be at the upstream end. The two rings, formed at opposite ends of the tank, will be translated axially and merged

Crystal structure of Sus scrofa quinolinate phosphoribosyltransferase in complex with nicotinate mononucleotide.

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Hyung-Seop Youn

Full Text Available We have determined the crystal structure of porcine quinolinate phosphoribosyltransferase (QAPRTase in complex with nicotinate mononucleotide (NAMN, which is the first crystal structure of a mammalian QAPRTase with its reaction product. The structure was determined from protein obtained from the porcine kidney. Because the full protein sequence of porcine QAPRTase was not available in either protein or nucleotide databases, cDNA was synthesized using reverse transcriptase-polymerase chain reaction to determine the porcine QAPRTase amino acid sequence. The crystal structure revealed that porcine QAPRTases have a hexameric structure that is similar to other eukaryotic QAPRTases, such as the human and yeast enzymes. However, the interaction between NAMN and porcine QAPRTase was different from the interaction found in prokaryotic enzymes, such as those of Helicobacter pylori and Mycobacterium tuberculosis. The crystal structure of porcine QAPRTase in complex with NAMN provides a structural framework for understanding the unique properties of the mammalian QAPRTase active site and designing new antibiotics that are selective for the QAPRTases of pathogenic bacteria, such as H. pylori and M. tuberculosis.

Photoaffinity labeling of rat liver ribosomes by N-(2-Nitro-4-azidobenzoyl)puromycin

International Nuclear Information System (INIS)

Boehm, H.; Stahl, J.; Bielka, H.

1979-01-01

N-(2-nitro-4-azidobenzoyl)-[ 3 H]puromycin (NAB-puromycin) was synthesized as a photoreactive derivative of puromycin in order to detect ribosomal proteins located near the peptidyltransferase centre of rat liver ribosomes. Irradiation of ribosome-NAB-puromycin complexes leads to covalent attachment of the affinity label to proteins of the large ribosomal subunit, in particular to proteins L28/29, and, to a somewhat lower extent, to proteins L4, L6, L10 and L24. The results are discussed in the light of earlier studies performed with other affinity labels that attacked the peptidyltransferase region of rat liver ribosomes. (author)

Microsatélites, distancias genéticas y estructura de poblaciones nativas sudamericanas

Directory of Open Access Journals (Sweden)

Demarchi, Darío Alfredo

2009-01-01

Full Text Available En este trabajo se investigaron las relaciones genéticas entre 17 poblaciones nativas sudamericanas en relación a 15 microsatélites (STRs autosómicos, utilizando 3 distancias genéticas- DST, DAy (δu2-que se ajustan a diferentes postulados teóricos. A través de diferentes técnicas de análisis (escalamiento multidimensional, correlación y correlación parcial de matrices se puso a prueba si las distancias genéticas reflejaban las relaciones interpoblacionales esperadas a partir de la distribución geográfica o de relaciones lingüísticas entre las poblaciones. Además, se estimó en que grado las distintas medidas de distancias genéticas eran influenciadas por la diversidad (He de cada población. Los mapas genéticos muestran, principalmente para DST y DA, que las poblaciones aisladas y con bajo tamaño efectivo (Ne aparecen como outliers, mientras que las poblaciones con alto Ne y mayor flujo génico ocupan una posición central a bajos valores de distancia unas de otras y sin un patrón definido de agrupamiento. La falta de asociación entre distancias genéticas y lingüísticas o geográficas y por otra parte, la alta correlación negativa entre He y distancias génicas promedio por población confiman ese patrón, demostrando que la mayor parte de la variación interpoblacional puede ser explicada en función del grado de diversidad intrapoblacional. Es decir, las distancias genéticas no reflejan relaciones filogenéticas, lingüísticas o geográficas, sino más bien eventos demográficos recientes tales como cuellos de botella genético, efecto fundador o migración externa masiva. Este hecho puede ser comprobado por medio de otra metodología analítica, el modelo de Harpending y Ward.

Safer Systems: A NextGen Aviation Safety Strategic Goal

Science.gov (United States)

Darr, Stephen T.; Ricks, Wendell R.; Lemos, Katherine A.

2008-01-01

The Joint Planning and Development Office (JPDO), is charged by Congress with developing the concepts and plans for the Next Generation Air Transportation System (NextGen). The National Aviation Safety Strategic Plan (NASSP), developed by the Safety Working Group of the JPDO, focuses on establishing the goals, objectives, and strategies needed to realize the safety objectives of the NextGen Integrated Plan. The three goal areas of the NASSP are Safer Practices, Safer Systems, and Safer Worldwide. Safer Practices emphasizes an integrated, systematic approach to safety risk management through implementation of formalized Safety Management Systems (SMS) that incorporate safety data analysis processes, and the enhancement of methods for ensuring safety is an inherent characteristic of NextGen. Safer Systems emphasizes implementation of safety-enhancing technologies, which will improve safety for human-centered interfaces and enhance the safety of airborne and ground-based systems. Safer Worldwide encourages coordinating the adoption of the safer practices and safer systems technologies, policies and procedures worldwide, such that the maximum level of safety is achieved across air transportation system boundaries. This paper introduces the NASSP and its development, and focuses on the Safer Systems elements of the NASSP, which incorporates three objectives for NextGen systems: 1) provide risk reducing system interfaces, 2) provide safety enhancements for airborne systems, and 3) provide safety enhancements for ground-based systems. The goal of this paper is to expose avionics and air traffic management system developers to NASSP objectives and Safer Systems strategies.

Genetic similarity between coriander genotypes using ISSR markers Similaridade genética entre genótipos de coentro por marcadores ISSR

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Roberto de A Melo

2011-12-01

Full Text Available With the development of new cultivars, a precise genetic characterization is essential for improvement programs or for cultivar registration and protection. Molecular markers have been complementing the traditional morphological and agronomic characterization techniques because they are virtually unlimited, cover the whole genome and are not environmentally influenced. Genetic characterization constitutes the basis for studies involving estimates of genetic similarity. Therefore, the objective of the present study was to evaluate the genetic similarity between ten coriander genotypes (nine cultivars and one line using ISSR markers. The cultivars used were: Americano, Asteca, Palmeira, Português, Santo, Supéria, Tabocas, Tapacurá, Verdão and the experimental line HTV-9299. The genetic similarity between the cultivars was estimated using 227 banded regions of ISSR molecular markers. The UBC 897 oligonucleotide generated the highest number of fragments (16, resulting in a higher polymorphism. The results indicate that the twenty-nine oligonucleotides chosen were satisfactory for detecting polymorphism. Based on the grouping analysis determined from the similarity data, there were two groups and two sub-groups. The calculated similarity for the genotypes varied from 52 to 75%. The lowest similarity was observed between Português and Verdão, at 52%. The highest similarity was found between Português and Palmeira, at 75%. The ISSR is efficient for identifying DNA polymorphism in coriander.Com o surgimento de novas cultivares, uma caracterização genética precisa é essencial, visando à utilização em programas de melhoramento ou para fins de registros e ou proteção de cultivares. Marcadores moleculares vêm complementando a caracterização morfológica e agronômica tradicional, uma vez que são virtualmente ilimitados, cobrem todo o genoma e não são influenciados pelo ambiente. A caracterização genética constitui a base para

Crystal Structure of a Eukaryotic GEN1 Resolving Enzyme Bound to DNA

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Yijin Liu

2015-12-01

Full Text Available We present the crystal structure of the junction-resolving enzyme GEN1 bound to DNA at 2.5 Å resolution. The structure of the GEN1 protein reveals it to have an elaborated FEN-XPG family fold that is modified for its role in four-way junction resolution. The functional unit in the crystal is a monomer of active GEN1 bound to the product of resolution cleavage, with an extensive DNA binding interface for both helical arms. Within the crystal lattice, a GEN1 dimer interface juxtaposes two products, whereby they can be reconnected into a four-way junction, the structure of which agrees with that determined in solution. The reconnection requires some opening of the DNA structure at the center, in agreement with permanganate probing and 2-aminopurine fluorescence. The structure shows that a relaxation of the DNA structure accompanies cleavage, suggesting how second-strand cleavage is accelerated to ensure productive resolution of the junction.

Affinity labelling of ribosomes from the livers of different vertebrates by 2-nitro-4-azidobenzoyl-Phe-tRNA

International Nuclear Information System (INIS)

Stahl, J.; Boehm, H.; Voderberg, M.

1981-01-01

Ribosomal protein L 10 from the livers of trout, hen, and rat was found to be the main target for 2-nitro-4-azidobenzoyl-Phe-tRNA in affinity labelling experiments. Therefore, despite somewhat different electrophoretic mobilities, this protein seems to be involved in the organization of the peptidyl transferase centre in ribosomes of various vertebrates. (author)

Ring faults and ring dikes around the Orientale basin on the Moon.

Science.gov (United States)

Andrews-Hanna, Jeffrey C; Head, James W; Johnson, Brandon; Keane, James T; Kiefer, Walter S; McGovern, Patrick J; Neumann, Gregory A; Wieczorek, Mark A; Zuber, Maria T

2018-08-01

The Orientale basin is the youngest and best-preserved multiring impact basin on the Moon, having experienced only modest modification by subsequent impacts and volcanism. Orientale is often treated as the type example of a multiring basin, with three prominent rings outside of the inner depression: the Inner Rook Montes, the Outer Rook Montes, and the Cordillera. Here we use gravity data from NASA's Gravity Recovery and Interior Laboratory (GRAIL) mission to reveal the subsurface structure of Orientale and its ring system. Gradients of the gravity data reveal a continuous ring dike intruded into the Outer Rook along the plane of the fault associated with the ring scarp. The volume of this ring dike is ~18 times greater than the volume of all extrusive mare deposits associated with the basin. The gravity gradient signature of the Cordillera ring indicates an offset along the fault across a shallow density interface, interpreted to be the base of the low-density ejecta blanket. Both gravity gradients and crustal thickness models indicate that the edge of the central cavity is shifted inward relative to the equivalent Inner Rook ring at the surface. Models of the deep basin structure show inflections along the crust-mantle interface at both the Outer Rook and Cordillera rings, indicating that the basin ring faults extend from the surface to at least the base of the crust. Fault dips range from 13-22° for the Cordillera fault in the northeastern quadrant, to 90° for the Outer Rook in the northwestern quadrant. The fault dips for both outer rings are lowest in the northeast, possibly due to the effects of either the direction of projectile motion or regional gradients in pre-impact crustal thickness. Similar ring dikes and ring faults are observed around the majority of lunar basins.

Ruminal fermentation of Anti-methanogenic Nitrate- and Nitro-Containing Forages In Vitro

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Robin C. Anderson

2016-08-01

Full Text Available Nitrate, 3-nitro-1-propionic acid (NPA and 3-nitro-1-propanol (NPOH can accumulate in forages and be poisonous to animals if consumed in high enough amounts. These chemicals are also recognized as potent anti-methanogenic compounds, but plants naturally containing these chemicals have been studied little in this regard. Presently, we found that nitrate-, NPA- or NPOH-containing forages effectively decreased methane production, by 35 to 87%, during in vitro fermentation by mixed cultures of ruminal microbes compared to fermentation by cultures incubated similarly with alfalfa. Methane production was further decreased during incubation of mixed cultures also inoculated with Denitrobacterium detoxificans, a ruminal bacterium known to metabolize nitrate, NPA and NPOH. Inhibition of methanogens within the mixed cultures was greatest with the NPA- and NPOH-containing forages. Hydrogen accumulated in all the mixed cultures incubated with forages containing nitrate, NPA or NPOH but was dramatically higher, exceeding 40 µmol hydrogen/mL, in mixed cultures incubated with NPA-containing forage but not inoculated with D. detoxificans. This possibly reflects the inhibition of hydrogenase-catalyzed uptake of hydrogen produced via conversion of 50 µmol added formate per mL to hydrogen. Accumulations of volatile fatty acids revealed compensatory changes in fermentation in mixed cultures incubated with the nitrate-, NPA- and NPOH-containing forages as evidenced by lower accumulations of acetate, and in some cases higher accumulations of butyrate and lower accumulations of ammonia, iso-buytrate and iso-valerate compared to cultures incubated with alfalfa. Results reveal that nitrate, NPA and NPOH that accumulate naturally in forages can be made available within ruminal incubations to inhibit methanogenesis. Further research is warranted to determine if diets can be formulated with nitrate-, NPA- and NPOH-containing forages to achieve efficacious mitigation in

An improved method to determine PM-bound nitro-PAHs in ambient air.

Science.gov (United States)

Tutino, Maria; Di Gilio, Alessia; Laricchiuta, Antonello; Assennato, Giorgio; de Gennaro, Gianluigi

2016-10-01

Nowadays, no a standard method for the determination of particulate bound nitro-PAHs (NPAHs) has been developed. Existing methods include complex sampling and extraction procedures. Moreover, their sensitivity does not allow to analyze daily PM10 samples, affecting the temporal resolution of NPAH concentrations. In this study an analytical method for the quantification of NPAHs on half 47 mm-filter samples of daily PM10 was developed and validated. NPAHs were recovered by microwave-assisted extraction, and analyzed by using a gas chromatography-triple quadrupole mass spectrometry in MRM mode. The analytical performance for 14 NPAHs (2-nitrofluorene, 9-nitroanthracene, 9-nitrophenantrene, 3-nitrophenantrene, 2-nitroanthracene, 3-nitrofluoranthene, 1-nitropyrene, 2,7-dinitrofluorene, 7-nitrobenzo[a]anthracene, 6-nitrochrysene, 1,3-dinitropyrene, 1,8-dinitropyrene, 1,6-dinitropyrene, 6-nitrobenza[a]pyrene) was investigated. Recovery extraction percentage exceeded 95% for all target compounds in the range between 0.25 and 10 ng/mL. The repeatability, expressed as Relative Standard Deviation percentage (RSD%) of five determinations, was less than 10% for target compounds except for 2,7-dinitrofluorene, 1,3- and 1,8-dinitropyrene (RSD% < 15%). The limit of detection (LOD) ranged from 12 to 84 pg/mL for most of NPAHs, except for dinitro-pyrenes and nitro-benzo(a)anthracene for which the LOD reached 1.8 ng/mL. The method developed was applied to real samples in order to evaluate the levels of NPAHs in the urban and industrial area of Taranto (South of Italy). The analysis of PM10 samples collected at four industrial and one urban sites, highlighted that in proximity of critical emission source as the biggest European steel plant and under certain weather conditions, combustion processes were the main source of NPAHs in atmosphere. Copyright © 2016 Elsevier Ltd. All rights reserved.

NITRO MUSK ADDUCTS OF RAINBOW TROUT ...

Science.gov (United States)

Rainbow trout and other fish species can serve as 'sentinel' species for the assessment of ecological status and the presence of certain environmental contaminants. As such they act as bioindicators of exposure. Here we present seminal data regarding dose-response and toxicokinetics of trout hemoglobin adduct formation from exposure to nitro musks that are frequently used as fragrance ingredients in formulations of personal care products. Hemoglobin adducts serve as biomarkers of exposure of the sentinel species as we have shown in previous studies of hemoglobin adducts formed in trout and environmental carp exposed to musk xylene (MX) and musk ketone (MK). Gas chromatography-electron capture negative ion chemical ionization-mass spectrometry (GC-NICI-MS) employing selected ion monitoring is used to measure 4-amino-MX (4-AMX), 2-amino-MX (2-AMX), and 2-amino-MK (2-AMK) released by alkaline hydrolysis from the sulfinamide adducts of hemoglobin. Dose-response and toxicokinetics were investigated using this sensitive method for analysis of these metabolites. In the dose-response investigation, the concentrations of 4-AMX and 2-2AMX are observed to pass through a maximum at 0.10 mg/g. In the case of 2-AMK, the adduct concentration is almost the same at dosages in the range of 0.030 to 0.10 mg/g. For toxicokinetics, the concentration of the metabolites in the Hb reaches a maximum in the 3-day sample after administration of MX or MK. Further elimination of the metabo

Effects of dietary antioxidants and 2-amino-3-methylimidazo[4,5-f]-quinoline (IQ) on preneoplastic lesions and on oxidative damage, hormonal status, and detoxification capacity in the rat

DEFF Research Database (Denmark)

Breinholt, Vibeke M.; Mølck, Anne-Marie; Svendsen, Gitte Winkel

2003-01-01

mechanisms were assayed in blood, liver and colon and the impact of the antioxidant administrations on putative preneoplastic changes in liver and colon was assessed. The dietary carcinogen, 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) (200 mg/kg diet) served as a pro-oxidant, genotoxicity and general...

4-Methoxy-3-nitrobiphenyl

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Xuqiang Chao

2012-01-01

Full Text Available In the title compound, C13H11NO3, the dihedral angle between the two benzene rings is 36.69 (2° and the nitro and methyoxy groups are oriented at 29.12 (14 and 2.14 (12° with respect to the benzene ring to which they are bonded.

Visible light- and radiation-induced alkylation of pyridine ring with alkanoic acid

International Nuclear Information System (INIS)

Sugimori, Akira; Yamada, Tetsuo

1986-01-01

Quinoline and 4-methylquinoline are efficiently alkylated with alkanoic acid in the presence of iron(III) sulfate upon visible light-irradiation. Iron(III) sulfate not only accelerates the photoreaction but also increases the yield of alkylation. Gamma-irradiation also brings about the alkylation. In the photo- and radiation-induced alkylation with alkanoic acid, alkyl radicals play important roles. (author)

Groups, rings, modules

CERN Document Server

Auslander, Maurice

2014-01-01

This classic monograph is geared toward advanced undergraduates and graduate students. The treatment presupposes some familiarity with sets, groups, rings, and vector spaces. The four-part approach begins with examinations of sets and maps, monoids and groups, categories, and rings. The second part explores unique factorization domains, general module theory, semisimple rings and modules, and Artinian rings. Part three's topics include localization and tensor products, principal ideal domains, and applications of fundamental theorem. The fourth and final part covers algebraic field extensions

Saturn's Rings Edge-on

Science.gov (United States)

1995-01-01

In one of nature's most dramatic examples of 'now-you see-them, now-you-don't', NASA's Hubble Space Telescope captured Saturn on May 22, 1995 as the planet's magnificent ring system turned edge-on. This ring-plane crossing occurs approximately every 15 years when the Earth passes through Saturn's ring plane.For comparison, the top picture was taken by Hubble on December 1, 1994 and shows the rings in a more familiar configuration for Earth observers.The bottom picture was taken shortly before the ring plane crossing. The rings do not disappear completely because the edge of the rings reflects sunlight. The dark band across the middle of Saturn is the shadow of the rings cast on the planet (the Sun is almost 3 degrees above the ring plane.) The bright stripe directly above the ring shadow is caused by sunlight reflected off the rings onto Saturn's atmosphere. Two of Saturn's icy moons are visible as tiny starlike objects in or near the ring plane. They are, from left to right, Tethys (slightly above the ring plane) and Dione.This observation will be used to determine the time of ring-plane crossing and the thickness of the main rings and to search for as yet undiscovered satellites. Knowledge of the exact time of ring-plane crossing will lead to an improved determination of the rate at which Saturn 'wobbles' about its axis (polar precession).Both pictures were taken with Hubble's Wide Field Planetary Camera 2. The top image was taken in visible light. Saturn's disk appears different in the bottom image because a narrowband filter (which only lets through light that is not absorbed by methane gas in Saturn's atmosphere) was used to reduce the bright glare of the planet. Though Saturn is approximately 900 million miles away, Hubble can see details as small as 450 miles across.The Wide Field/Planetary Camera 2 was developed by the Jet Propulsion Laboratory and managed by the Goddard Spaced Flight Center for NASA's Office of Space Science.This image and other images and

Two Novel Thermal Biradical Cyclizations of Enyne-Ketenimines: Theory, Experiment, and Synthetic Potential.

Science.gov (United States)

Schmittel, Michael; Steffen, Jens-Peter; Wencesla Ángel, Miguel Á; Engels, Bernd; Lennartz, Christian; Hanrath, Michael

1998-06-19

Both benzocarbazoles and quinolines can be synthesized from enyne ketenimines 1 generated in situ via biradical intermediates (see reaction below). Which of the heterocyclic ring systems is formed depends on the choice of the substituent R 1 at the alkyne terminus. © 1998 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Detection of nitro-based and peroxide-based explosives by fast polarity-switchable ion mobility spectrometer with ion focusing in vicinity of Faraday detector.

Science.gov (United States)

Zhou, Qinghua; Peng, Liying; Jiang, Dandan; Wang, Xin; Wang, Haiyan; Li, Haiyang

2015-05-29

Ion mobility spectrometer (IMS) has been widely deployed for on-site detection of explosives. The common nitro-based explosives are usually detected by negative IMS while the emerging peroxide-based explosives are better detected by positive IMS. In this study, a fast polarity-switchable IMS was constructed to detect these two explosive species in a single measurement. As the large traditional Faraday detector would cause a trailing reactant ion peak (RIP), a Faraday detector with ion focusing in vicinity was developed by reducing the detector radius to 3.3 mm and increasing the voltage difference between aperture grid and its front guard ring to 591 V, which could remove trailing peaks from RIP without loss of signal intensity. This fast polarity-switchable IMS with ion focusing in vicinity of Faraday detector was employed to detect a mixture of 10 ng 2,4,6-trinitrotoluene (TNT) and 50 ng hexamethylene triperoxide diamine (HMTD) by polarity-switching, and the result suggested that [TNT-H](-) and [HMTD+H](+) could be detected in a single measurement. Furthermore, the removal of trailing peaks from RIP by the Faraday detector with ion focusing in vicinity also promised the accurate identification of KClO4, KNO3 and S in common inorganic explosives, whose product ion peaks were fairly adjacent to RIP.

The phosphorylation status and cytoskeletal remodeling of striatal astrocytes treated with quinolinic acid

Energy Technology Data Exchange (ETDEWEB)

Pierozan, Paula; Ferreira, Fernanda; Ortiz de Lima, Bárbara; Gonçalves Fernandes, Carolina [Departamento de Bioquímica, Instituto de Ciências Básicas da Saúde, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS 90035-003 (Brazil); Totarelli Monteforte, Priscila; Castro Medaglia, Natalia de; Bincoletto, Claudia; Soubhi Smaili, Soraya [Departamento de Farmacologia, Universidade Federal de São Paulo (UNIFESP/EPM), São Paulo, SP (Brazil); Pessoa-Pureur, Regina, E-mail: rpureur@ufrgs.br [Departamento de Bioquímica, Instituto de Ciências Básicas da Saúde, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS 90035-003 (Brazil)

2014-04-01

Quinolinic acid (QUIN) is a glutamate agonist which markedly enhances the vulnerability of neural cells to excitotoxicity. QUIN is produced from the amino acid tryptophan through the kynurenine pathway (KP). Dysregulation of this pathway is associated with neurodegenerative conditions. In this study we treated striatal astrocytes in culture with QUIN and assayed the endogenous phosphorylating system associated with glial fibrillary acidic protein (GFAP) and vimentin as well as cytoskeletal remodeling. After 24 h incubation with 100 µM QUIN, cells were exposed to {sup 32}P-orthophosphate and/or protein kinase A (PKA), protein kinase dependent of Ca{sup 2+}/calmodulin II (PKCaMII) or protein kinase C (PKC) inhibitors, H89 (20 μM), KN93 (10 μM) and staurosporin (10 nM), respectively. Results showed that hyperphosphorylation was abrogated by PKA and PKC inhibitors but not by the PKCaMII inhibitor. The specific antagonists to ionotropic NMDA and non-NMDA (50 µM DL-AP5 and CNQX, respectively) glutamate receptors as well as to metabotropic glutamate receptor (mGLUR; 50 µM MCPG), mGLUR1 (100 µM MPEP) and mGLUR5 (10 µM 4C3HPG) prevented the hyperphosphorylation provoked by QUIN. Also, intra and extracellular Ca{sup 2+} quelators (1 mM EGTA; 10 µM BAPTA-AM, respectively) prevented QUIN-mediated effect, while Ca{sup 2+} influx through voltage-dependent Ca{sup 2+} channel type L (L-VDCC) (blocker: 10 µM verapamil) is not implicated in this effect. Morphological analysis showed dramatically altered actin cytoskeleton with concomitant change of morphology to fusiform and/or flattened cells with retracted cytoplasm and disruption of the GFAP meshwork, supporting misregulation of actin cytoskeleton. Both hyperphosphorylation and cytoskeletal remodeling were reversed 24 h after QUIN removal. Astrocytes are highly plastic cells and the vulnerability of astrocyte cytoskeleton may have important implications for understanding the neurotoxicity of QUIN in neurodegenerative

The Rotating Ring-Ring Electrode. Theory and Experiment

NARCIS (Netherlands)

Kuiken, H.K.; Bakkers, E.P.A.M.; Ligthart, H.; Kelly, J.J.

2000-01-01

A model is presented for the rotating ring-ring electrode. Although the electrode is defined by four characteristic lengths, it is shown that the collection efficiency depends on only two dimensionless parameters. A simple relationship between these and the corresponding parameters for the rotating

GenMapDB: a database of mapped human BAC clones

OpenAIRE

Morley, Michael; Arcaro, Melissa; Burdick, Joshua; Yonescu, Raluca; Reid, Thomas; Kirsch, Ilan R.; Cheung, Vivian G.

2001-01-01

GenMapDB (http://genomics.med.upenn.edu/genmapdb) is a repository of human bacterial artificial chromosome (BAC) clones mapped by our laboratory to sequence-tagged site markers. Currently, GenMapDB contains over 3000 mapped clones that span 19 chromosomes, chromosomes 2, 4, 5, 9–22, X and Y. This database provides positional information about human BAC clones from the RPCI-11 human male BAC library. It also contains restriction fragment analysis data and end sequen...

Connections, curvature and cohomology

CERN Document Server

Greub, Werner H; Vanstone, Ray

1976-01-01

Imidazole and Benzimidazole Synthesis is a comprehensive survey of the known methods of syntheses and ring modification. It brings together the multitude of synthesis of the imidazole ring in a systemic way interms of specific bond formation, and recommends the most attractive synthetic approaches. It also collects non-ring-synthetic approaches to classes of compounds such as nitro-, halogeno-, and amino-imidazoles, and covers the synthesis of N-substituted compounds and preparations of specific isomers.

Wear Analysis of Top Piston Ring to Reduce Top Ring Reversal Bore Wear

Directory of Open Access Journals (Sweden)

P. Ilanthirayan

2017-12-01

Full Text Available The piston rings are the most important part in engine which controls the lubricating oil consumption and blowby of the gases. The lubricating film of oil is provided to seal of gases towards crankcase and also to give smooth friction free translatory motion between rings and liner. Of the three rings present top ring is more crucial as it does the main work of restricting gases downwards the crankcase. Boundary lubrication is present at the Top dead centre (TDC and Bottom dead centre (BDC of the liner surface. In addition to this, top ring is exposed to high temperature gases which makes the oil present near the top ring to get evaporated and decreasing its viscosity, making metal-metal contact most of the time. Due to this at TDC, excess wear happens on the liner which is termed as Top ring reversal bore wear. The wear rate depends upon many parameters such as lubrication condition, viscosity index, contact type, normal forces acting on ring, geometry of ring face, surface roughness, material property. The present work explores the wear depth for different geometries of barrel ring using Finite Element model with the help of Archard wear law and the same is validated through experimentation. The study reveals that Asymmetric barrel rings have less contact pressure which in turn reduces the wear at Top dead centre.

Cyclopropanation of 5-(1-Bromo-2-phenyl-vinyl-3-methyl-4-nitro-isoxazoles under Phase Transfer Catalysis (PTC Conditions

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Linda Piras

2015-04-01

Full Text Available Heavily substituted cyclopropane esters were prepared in high yields, complete diastereoselection and average (up to 58% enantioselectivity. The reaction described herein entailed reacting 4-nitro-5-bromostyrylisoxazoles, a class of powerful Michael acceptors with malonate esters under the catalysis of 5 mol% of a chincona derived phase-transfer catalyst.

PREFACE: Special section on vortex rings Special section on vortex rings

Science.gov (United States)

Fukumoto, Yasuhide

2009-10-01

This special section of Fluid Dynamics Research includes five articles on vortex rings in both classical and quantum fluids. The leading scientists of the field describe the trends in and the state-of-the-art development of experiments, theories and numerical simulations of vortex rings. The year 2008 was the 150th anniversary of 'vortex motion' since Hermann von Helmholtz opened up this field. In 1858, Helmholtz published a paper in Crelle's Journal which put forward the concept of 'vorticity' and made the first analysis of vortex motion. Fluid mechanics before that was limited to irrotational motion. In the absence of vorticity, the motion of an incompressible homogeneous fluid is virtually equivalent to a rigid-body motion in the sense that the fluid motion is determined once the boundary configuration is specified. Helmholtz proved, among other things, that, without viscosity, a vortex line is frozen into the fluid. This Helmholtz's law immediately implies the preservation of knots and links of vortex lines and its implication is enormous. One of the major trends of fluid mechanics since the latter half of the 20th century is to clarify the topological meaning of Helmholtz's law and to exploit it to develop theoretical and numerical methods to find the solutions of the Euler equations and to develop experimental techniques to gain an insight into fluid motion. Vortex rings are prominent coherent structures in a variety of fluid motions from the microscopic scale, through human and mesoscale to astrophysical scales, and have attracted people's interest. The late professor Philip G Saffman (1981) emphasized the significance of studies on vortex rings. One particular motion exemplifies the whole range of problems of vortex motion and is also a commonly known phenomenon, namely the vortex ring or smoke ring. Vortex rings are easily produced by dropping drops of one liquid into another, or by puffing fluid out of a hole, or by exhaling smoke if one has the skill

Vortex rings

CERN Document Server

Akhmetov, D G

2009-01-01

This text on vortex rings covers their theoretical foundation, systematic investigations, and practical applications such as the extinction of fires at gushing oil wells. It pays special attention to the formation and motion of turbulent vortex rings.

Description of Guyruita gen. nov. and two new species (Ischnocolinae, Theraphosidae Descrição de Guyruita gen. nov. e duas novas espécies (Ischnocolinae, Theraphosidae

Directory of Open Access Journals (Sweden)

José P.L. Guadanucci

2007-12-01

Full Text Available The genus Guyruita gen. nov. and two new species from Brazil are described. Holothele waikoshiemi (Bertani & Araújo, 2005 from Venezuela is transferred here to the new genus. Guyruita gen. nov. differs from the remaining Ischnocolinae by the following features: labium densely occupied by a lot of cuspules (more than 100, intercheliceral intumescence absent, posterior sternal sigilla remote from margin, tarsal claws without teeth, tarsal scopula I-II undivided (tarsus II with a line of sparse setae, which does not divide the scopula, III-IV divided.É descrito o gênero Guyruita gen. nov. e duas espécies novas do Brasil. Holothele waikoshiemi (Bertani & Araújo, 2005 da Venezuela é transferido para o novo gênero. Guyruita gen. nov. difere dos outros Ischnocolinae pelas seguintes caracterísicas: lábio densamente ocupado por muitas cúspides (mais de 100, tumescência interqueliceral ausente, sigilla esternal posterior distante da margem, unhas tarsais sem dentes, escópula tarsal I e II inteiras (tarso II com uma fileira de cerdas esparsas, as quais não dividem a escópula, III e IV divididas.

A Novel Role of Human Holliday Junction Resolvase GEN1 in the Maintenance of Centrosome Integrity

DEFF Research Database (Denmark)

Gao, M.; Danielsen, Jannie Michaela Rendtlew; Wei, L.-Z.

2012-01-01

but not catalytic activity of GEN1 is required for preventing centrosome hyper-amplification, formation of multiple mitotic spindles, and multi-nucleation. Our findings provide novel insight into the biological functions of GEN1 by uncovering an important role of GEN1 in the regulation of centrosome integrity....

FUZZY RINGS AND ITS PROPERTIES

Directory of Open Access Journals (Sweden)

Karyati Karyati

2017-01-01

  One of algebraic structure that involves a binary operation is a group that is defined  an un empty set (classical with an associative binary operation, it has identity elements and each element has an inverse. In the structure of the group known as the term subgroup, normal subgroup, subgroup and factor group homomorphism and its properties. Classical algebraic structure is developed to algebraic structure fuzzy by the researchers as an example semi group fuzzy and fuzzy group after fuzzy sets is introduced by L. A. Zadeh at 1965. It is inspired of writing about semi group fuzzy and group of fuzzy, a research on the algebraic structure of the ring is held with reviewing ring fuzzy, ideal ring fuzzy, homomorphism ring fuzzy and quotient ring fuzzy with its properties. The results of this study are obtained fuzzy properties of the ring, ring ideal properties fuzzy, properties of fuzzy ring homomorphism and properties of fuzzy quotient ring by utilizing a subset of a subset level  and strong level  as well as image and pre-image homomorphism fuzzy ring.   Keywords: fuzzy ring, subset level, homomorphism fuzzy ring, fuzzy quotient ring

ESR study of the anion radicals of 5-nitropyrimidines: conversion to iminoxy radicals

International Nuclear Information System (INIS)

Sevilla, M.D.; Clark, C.; Failor, R.

1976-01-01

The anion radicals of a number of 5-nitropyrimidines have been investigated by ESR spectroscopy. The anions are formed by electrolysis in dimethylformamide and by electron attachment in aqueous glasses, 12 M LiCl--D 2 O and 8 M NaOD. The electrolysis of 5-nitrouracil and 5-nitro-6-methyluracil results in relatively stable anion radicals. The results for 5-nitrouracil give evidence for two or perhaps three anions which differ only by the degree of ring nitrogen protonation. The results for 5-nitro-6-methyluracil suggest that the nitro group of the anion is twisted so that it is coupled only weakly to the ring π-electron system. The anions of 5-nitrouracil, 5-nitroorotic acid, 5-nitrobarbituric acid, and 5-nitro-6-methyluracil have been produced in the alkaline and neutral aqueous glasses. The anisotropic spectra found have been analyzed with the aid of computer simulations which assume axial symmetry. For example, the analysis of the spectrum of 5-nitrouracil anion in 12 M LiCl yields A/sub parallel//sup N/ = 33; A/sub perpendicular to//sup N/ = 5, a 6 /sup H/ = 5.5 G, g/sub parallel/ = 2.0016, and g/sub perpendicular to/ = 2.0059. A concentration dependence in the splittings is noted and discussed. Ultraviolet photolysis of the anions of 5-nitro-6-methyluracil and 5-nitrobarbituric acid results in the formation of iminoxy radicals. Mechanisms of formation of the iminoxy radicals are discussed and results found in this work are compared to results found in single crystals and aqueous solution

Environmental Information for the U.S. Next Generation Air Transportation System (NextGen)

Science.gov (United States)

Murray, J.; Miner, C.; Pace, D.; Minnis, P.; Mecikalski, J.; Feltz, W.; Johnson, D.; Iskendarian, H.; Haynes, J.

2009-09-01

It is estimated that weather is responsible for approximately 70% of all air traffic delays and cancellations in the United States. Annually, this produces an overall economic loss of nearly 40B. The FAA and NASA have determined that weather impacts and other environmental constraints on the U.S. National Airspace System (NAS) will increase to the point of system unsustainability unless the NAS is radically transformed. A Next Generation Air Transportation System (NextGen) is planned to accommodate the anticipated demand for increased system capacity and the super-density operations that this transformation will entail. The heart of the environmental information component that is being developed for NextGen will be a 4-dimensional data cube which will include a single authoritative source comprising probabilistic weather information for NextGen Air Traffic Management (ATM) systems. Aviation weather constraints and safety hazards typically comprise meso-scale, storm-scale and microscale observables that can significantly impact both terminal and enroute aviation operations. With these operational impacts in mind, functional and performance requirements for the NextGen weather system were established which require significant improvements in observation and forecasting capabilities. This will include satellite observations from geostationary and/or polar-orbiting hyperspectral sounders, multi-spectral imagers, lightning mappers, space weather monitors and other environmental observing systems. It will also require improved in situ and remotely sensed observations from ground-based and airborne systems. These observations will be used to better understand and to develop forecasting applications for convective weather, in-flight icing, turbulence, ceilings and visibility, volcanic ash, space weather and the environmental impacts of aviation. Cutting-edge collaborative research efforts and results from NASA, NOAA and the FAA which address these phenomena are summarized

The GenABEL Project for statistical genomics.

Science.gov (United States)

Karssen, Lennart C; van Duijn, Cornelia M; Aulchenko, Yurii S

2016-01-01

Development of free/libre open source software is usually done by a community of people with an interest in the tool. For scientific software, however, this is less often the case. Most scientific software is written by only a few authors, often a student working on a thesis. Once the paper describing the tool has been published, the tool is no longer developed further and is left to its own device. Here we describe the broad, multidisciplinary community we formed around a set of tools for statistical genomics. The GenABEL project for statistical omics actively promotes open interdisciplinary development of statistical methodology and its implementation in efficient and user-friendly software under an open source licence. The software tools developed withing the project collectively make up the GenABEL suite, which currently consists of eleven tools. The open framework of the project actively encourages involvement of the community in all stages, from formulation of methodological ideas to application of software to specific data sets. A web forum is used to channel user questions and discussions, further promoting the use of the GenABEL suite. Developer discussions take place on a dedicated mailing list, and development is further supported by robust development practices including use of public version control, code review and continuous integration. Use of this open science model attracts contributions from users and developers outside the "core team", facilitating agile statistical omics methodology development and fast dissemination.