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)

Novel 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives: a patent review (2008 - 2011).

Science.gov (United States)

Ferreira, Vitor F; da Rocha, David R; da Silva, Fernando C; Ferreira, Patrícia G; Boechat, Núbia A; Magalhães, Jorge L

2013-03-01

The triazoles represent a class of five-membered heterocyclic compounds of great importance for the preparation of new drugs with diverse biological activities because they may present several structural variations with the same numbers of carbon and nitrogen atoms. Due to the success of various triazoles that entered the pharmaceutical market and are still being used in medicines, many companies and research groups have shown interest in developing new methods of synthesis and biological evaluation of potential uses for these compounds. In this review, the authors explored aspects of patents for the 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole families, including prototypes being considered in clinical studies between 2008 and 2011. The triazoles have been studied for over a century as an important class of heterocyclic compounds and still attract considerable attention due to their broad range of biological activities. More recently, there has been considerable interest in the development of novel triazoles with anti-inflammatory, antiplatelet, antimicrobial, antimycobacterial, antitumoral and antiviral properties and activity against several neglected diseases. This review emphasizes recent perspective and advances in the therapeutically active 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivative patents between 2008 and 2011, covering the development of new chemical entities and new pharmaceuticals. Many studies have focused on these compounds as target structures and evaluated them in several biological targets. The preparation of 1H-1,2,3-, 2H-1,2,3-, 1H-1,2,4- and 4H-1,2,4-triazole derivatives brings to light several issues. There is a need to find new, more efficient preparations for these triazoles that take into consideration current issues in green chemistry, energy saving and sustainability. New diseases are discovered and new viruses and bacteria continue to challenge mankind, so it is imperative to find new prototypes for these

Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC6H4CH2NH3]H2PO4

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Ali Rayes

2016-12-01

Full Text Available The asymmetric unit of the title salt, [p-FC6H4CH2NH3]+·H2PO4−, contains one 4-fluorobenzylammonium cation and one dihydrogen phosphate anion. In the crystal, the H2PO4− anions are linked by O—H...O hydrogen bonds to build corrugated layers extending parallel to the ab plane. The FC6H4CH2NH3+ cations lie between these anionic layers to maximize the electrostatic interactions and are linked to the H2PO4− anions through N—H...O hydrogen bonds, forming a three-dimensional supramolecular network. Two hydrogen atoms belonging to the dihydrogen phosphate anion are statistically occupied due to disorder along the OH...HO direction.

Syntheses of 4-aminobutanoic acid-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/ and progabide-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/

Energy Technology Data Exchange (ETDEWEB)

Davis, B.

1987-10-01

4-Aminobutanoic acid-2,2-/sup 2/H/sub 2/ and -4,4-/sup 2/H/sub 2/ were synthesized in high yield with high deuterium incorporation, and then converted into the corresponding deuterium-labelled anti-convulsant drug, progabide, by means of a transimination reaction.

[H3N(CH2)4NH3]2[Al4(C2O4)(H2PO4)2(PO4)4].4[H2O]: A new layered aluminum phosphate-oxalate

International Nuclear Information System (INIS)

Peng Li; Li Jiyang; Yu Jihong; Li Guanghua; Fang Qianrong; Xu Ruren

2005-01-01

A new layered inorganic-organic hybrid aluminum phosphate-oxalate [H 3 N(CH 2 ) 4 NH 3 ] 2 [Al 4 (C 2 O 4 )(H 2 PO 4 ) 2 (PO 4 ) 4 ].4[H 2 O](AlPO-CJ25) has been synthesized hydrothermally, by using 1,4-diaminobutane (DAB) as structure-directing agent. The structure has been solved by single-crystal X-ray diffraction analysis and further characterized by IR, 31 P MAS NMR, TG-DTA as well as compositional analyses. Crystal data: the triclinic space group P-1, a=8.0484(7) A, b=8.8608(8) A, c=13.2224(11) A, α=80.830(6) deg. , β=74.965(5) deg. , γ=78.782(6) deg. , Z=2, R 1[ I >2 σ ( I )] =0.0511 and wR 2(alldata) =0.1423. The alternation of AlO 4 tetrahedra and PO 4 tetrahedra gives rise to the four-membered corner-sharing chains, which are interconnected through AlO 6 octahedra to form the layered structure with 4,6-net sheet. Interestingly, oxalate ions are bis-bidentately bonded by participating in the coordination of AlO 6 , and bridging the adjacent AlO 6 octahedra. The layers are held with each other through strong H-bondings between the terminal oxygens. The organic ammonium cations and water molecules are located in the large cavities between the interlayer regions. -- Graphical abstract: The alternation of AlO 4 tetrahedra and PO 4 tetrahedra gives rise to the four-membered corner-sharing chains, which are interconnected through AlO 6 octahedra to form the layered structure with 4,6-net sheet. Oxalate ions are bis-bidentately boned by participating in the coordination of AlO 6 , and bridging the adjacent AlO 6 octahedra

Bold Ideas for the 4th H in 4-H: Teen Identified Concerns and Actions

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Virginia Brown

2015-03-01

Full Text Available This article summarizes a literature review; teen-identified health concerns and issues; and teen bold ideas for actions. Findings from the National 4-H Council and Molina Healthcare Teens Take on Health initiative are provided and implications for 4-H programming tied to the new Cooperative Extension National Framework for Health and Wellness are addressed. The article is intended as background for Extension educators, volunteers and administrators as they review the 4-H Healthy Living Mission Mandate, learn what mattered to teens and consider how to incorporate the findings into state and local 4-H youth development programming.

1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H-one

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Mohamed El Hafi

2018-03-01

Full Text Available The title molecule, C6H6N4O, is essentially planar [dihedral angle between the rings = 0.46 (9°]. The crystal structure consists of sheets of molecules lying parallel to (\\overline{1}11 formed by a combination of N—H...O, C—H...O and C—H...H hydrogen bonds. The sheets are connected through π–π stacking interactions.

Annealing study of the electron-irradiation-induced defects H4 and E11 in InP: Defect transformation (H4-E11)→H4'

International Nuclear Information System (INIS)

Bretagnon, T.; Bastide, G.; Rouzeyre, M.

1990-01-01

Capacitance spectroscopy has been used to study the two dominant deep levels, H 4 and E 11 , produced in InP by low-energy electron irradiation. The annealing rates of H 4 and E 11 in the p-type material are found to be identical, as is also the dependence on free-carrier recombination and on the chemical nature of the acceptor (Cd or Zn). Recombination-enhanced annealing converts these traps to a hole trap H 4 ' , which is not detectable by conventional deep-level transient spectroscopy. Its emission and capture properties are measured and analyzed. The similarity of the creation and annealing behavior of H 4 and E 11 shows that they share a common point defect. Our results lead to the tentative identification of the defect as a phosphorous vacancy-acceptor complex and we show how this may anneal to the H 4 ' center

Systems Li2B4O7 (Na2B4O7, K2B4O7)-N2H3H4OH-H2O at 25 deg C

International Nuclear Information System (INIS)

Skvortsov, V.G.; Sadetdinov, Sh.V.; Akimov, V.M.; Mitrasov, Yu.N.; Petrova, O.V.; Klopov, Yu.N.

1994-01-01

Phase equilibriums in the Li 2 B 4 O 7 (Na 2 B 4 O 7 , K 2 B 4 O 7 )-N 2 H 3 H 4 OH-H 2 O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM 2 B 4 O 7 ·nN 2 H 3 C 2 H 4 OH·XH 2 O, where M=Li, Na with hydrazine ethanol. K 2 B 4 O 7 ·4H 2 O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods

Regioselectivity in the Thermal Rearrangement of Unsymmetrical 4-Methyl-4H-1,2,4-triazoles to 1-Methyl-1H-1,2,4-triazoles

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Per H.J. Carlsen

2001-11-01

Full Text Available The rearrangement of 4-methyl-3,5-diaryl-4H-1,2,4-triazoles to the corresponding 1-methyl-3,5-diaryl-1H-1,2,4-triazoles showed regioselectivity comparable to that observed for the alkylation of 3,5-diaryl-1H-1,2,4-triazoles. This lends support to a proposed mechanism for the rearrangement that involves consecutive nucleophilic displacements steps.

Bold Ideas for the 4th H in 4-H: Teen Identified Concerns and Actions

OpenAIRE

Virginia Brown; Bonnie Braun; JoAnne Leatherman

2015-01-01

This article summarizes a literature review; teen-identified health concerns and issues; and teen bold ideas for actions. Findings from the National 4-H Council and Molina Healthcare Teens Take on Health initiative are provided and implications for 4-H programming tied to the new Cooperative Extension National Framework for Health and Wellness are addressed. The article is intended as background for Extension educators, volunteers and administrators as they review the 4-H Healthy Living Missi...

Reversible Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride State, the E(4)(4H) Janus Intermediate.

Science.gov (United States)

Lukoyanov, Dmitriy; Khadka, Nimesh; Yang, Zhi-Yong; Dean, Dennis R; Seefeldt, Lance C; Hoffman, Brian M

2016-02-03

We recently demonstrated that N2 reduction by nitrogenase involves the obligatory release of one H2 per N2 reduced. These studies focus on the E4(4H) "Janus intermediate", which has accumulated four reducing equivalents as two [Fe-H-Fe] bridging hydrides. E4(4H) is poised to bind and reduce N2 through reductive elimination (re) of the two hydrides as H2, coupled to the binding/reduction of N2. To obtain atomic-level details of the re activation process, we carried out in situ 450 nm photolysis of E4(4H) in an EPR cavity at temperatures below 20 K. ENDOR and EPR measurements show that photolysis generates a new FeMo-co state, denoted E4(2H)*, through the photoinduced re of the two bridging hydrides of E4(4H) as H2. During cryoannealing at temperatures above 175 K, E4(2H)* reverts to E4(4H) through the oxidative addition (oa) of the H2. The photolysis quantum yield is temperature invariant at liquid helium temperatures and shows a rather large kinetic isotope effect, KIE = 10. These observations imply that photoinduced release of H2 involves a barrier to the combination of the two nascent H atoms, in contrast to a barrierless process for monometallic inorganic complexes, and further suggest that H2 formation involves nuclear tunneling through that barrier. The oa recombination of E4(2H)* with the liberated H2 offers compelling evidence for the Janus intermediate as the point at which H2 is necessarily lost during N2 reduction; this mechanistically coupled loss must be gated by N2 addition that drives the re/oa equilibrium toward reductive elimination of H2 with N2 binding/reduction.

1,4-Dihydroxyquinoxaline-2,3(1H,4H-dione

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Wolfgang Frey

2008-03-01

Full Text Available The asymmetric unit of the title compound, C8H6N2O4, contains one half-molecule; a twofold rotation axis bisects the molecule. The quinoxaline ring is planar, which can be attributed to electron delocalization. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into R22(10 motifs, leading to layers, which interact via phenyl–phenyl interactions (C...C distances in the range 3.238–3.521 Å.

3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H-thione

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Zbigniew Karczmarzyk

2013-02-01

Full Text Available The title compound, C11H13N3S, exists in the 5-thioxo tautomeric form. The benzene ring exhibits disorder with a refined ratio of 0.77 (2:0.23 (2 for components A and B with a common bridgehead C atom. The 1,2,4-triazole ring is essentially planar, with a maximum deviation of 0.002 (3 Å for the benzyl-substituted C atom, and forms dihedral angles of 88.94 (18 and 86.56 (49° with the benzene rings of components A and B, respectively. The angle between the plane of the ethyl chain and the mean plane of 1,2,4-triazole ring is 88.55 (15° and this conformation is stabilized by an intramolecular C—H...S contact. In the crystal, pairs of N—H...S hydrogen bonds link molecules into inversion dimers. π–π interactions are observed between the triazole and benzene rings, with centroid–centroid separations of 3.547 (4 and 3.544 (12 Å for components A and B, and slippages of 0.49 (6 and 0.58 (15 Å, respectively.

Minnesota 4-H Science of Agriculture Challenge: Infusing Agricultural Science and Engineering Concepts into 4-H Youth Development

Science.gov (United States)

Rice, Joshua E.; Rugg, Bradley; Davis, Sharon

2016-01-01

Youth involved in 4-H projects have been engaged in science-related endeavors for years. Since 2006, 4-H has invested considerable resources in the advancement of science learning. The new Minnesota 4-H Science of Agriculture Challenge program challenges 4-H youth to work together to identify agriculture-related issues in their communities and to…

4-(2,3-Dihydroxybenzylideneamino-3-methyl-1H-1,2,4-triazol-5(4H-one

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Şamil Işık

2009-12-01

Full Text Available All the non-H atoms of the title compound, C10H10N4O3, are almost coplanar, the maximum deviation from planarity being 0.065 (3 Å. The dihedral angle between the aromatic rings is 1.66 (6°. The molecule adopts the enol–imine tautomeric form with an intramolecular hydrogen-bonding interaction between the Schiff base N atom and the hydroxy group. In the crystal, intermolecular N—H...O and O—H...O hydrogen bonds link the molecules into a three-dimensional network.

The Cs2SO4-Ce2(SO4)3-H2SO4-H2O system at 150 and 200 deg C

International Nuclear Information System (INIS)

Bondar', S.A.; Belokoskov, V.I.; Trofimov, G.V.

1982-01-01

Solubility in the system Cs 2 SO 4 -Ce 2 (SO 4 ) 3 -H 2 SO 4 -H 2 O using the isothermal method at 150 and 200 deg C at molar ratios Cs 2 SO 4 :Ce 2 (SO 4 ) 3 =1:5 and conditions of sulfate crystallization Cs 2 SO 4 xCe 2 (SO 4 ) 3 , Ce 2 (SO 4 ) 3 x0.5H 2 SO 4 xnH 2 O (n=2-3) and Ce 2 (SO 4 ) 3 x3H 2 SO 4 are determined. Double sulfate Cs 2 SO 4 xCe 2 (SO 4 ) 3 is studied using the methods of crystallooptical, thermal, X-ray phase analyses and IR spectroscopy

Potential antimicrobial agents from triazole-functionalized 2H-benzo[b][1,4]oxazin-3(4H)-ones.

Science.gov (United States)

Bollu, Rajitha; Banu, Saleha; Bantu, Rajashaker; Reddy, A Gopi; Nagarapu, Lingaiah; Sirisha, K; Kumar, C Ganesh; Gunda, Shravan Kumar; Shaik, Kamal

2017-12-01

A series of substituted triazole functionalized 2H-benzo[b][1,4]oxazin-3(4H)-ones were synthesized by employing click chemistry and further characterized based on 1 H NMR, 13 C NMR, IR and mass spectral studies. All the synthesized derivatives were screened for their in vitro antimicrobial activities. Further, molecular docking studies were accomplished to explore the binding interactions between 1,2,3-triazol-4-yl-2H-benzo[b][1,4]oxazin-3(4H)-one and the active site of Staphylococcus aureus (CrtM) dehydrosqualene synthase (PDB ID: 2ZCS). These docking studies revealed that the synthesized derivatives showed high binding energies and strong H-bond interactions with the dehydrosqualene synthase validating the observed antimicrobial activity data. Based on antimicrobial activity and docking studies, the compounds 9c, 9d and 9e were identified as promising antimicrobial leads. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterization of the UV-crosslinked heterodimer of histones H2B and H4

International Nuclear Information System (INIS)

Johnson, E.R.; Brown, D.M.; DeLange, R.J.

1986-01-01

At relatively high salt concentrations (1.2 M), histone 2B (H2B) and histone 4 (H4) can be covalently crosslinked by irradiation with ultraviolet light to yield a mixture of the three possible dimers: H2B-H2B, H4-H4, and H2B-H4. The formation of the H2B-H4 heterodimer was found to be favored at lower histone concentrations (> 90% H2B-H4 at 0.1 mg/ml total histone protein). CNBr cleavage of the H2B-H4 dimer produced three fragments which were separated by reverse phase HPLC. These fragments were identified by amino acid compositional analysis to be H4(85-102), H2B(62-125), and the crosslinked N-terminal regions H2B(1-59)-H4(1-84). Amino acid sequence analysis of the crosslinked fragment indicated that tyrosine-40 of H2B is likely involved in the covalent crosslinkage which joins the histone monomers to form the heterodimer

Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

Science.gov (United States)

Clegg, S L; Wexler, A S

2011-04-21

A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

Synthesis and characterization of new 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives

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S. Sarveswari

2016-09-01

Full Text Available The 4-hydroxy-3-(3-arylacryloylquinolin-2(1H-ones were synthesized from 3-acetyl-4-hydroxyquinolin-2(1H-one by microwave assisted synthesis, which in turn converted into their corresponding 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives.

4-H Afterschool – Making an Impact

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JoLene Bunnell

2006-06-01

Full Text Available 4-H Afterschool is making a positive impact on youth, families, and their communities. Utah State University Extension has implemented a 4-H Afterschool club at four elementary schools in low-income neighborhoods. At each of the sites, 4-H offers sixteen different project clubs. Survey results indicate that the 4-H Afterschool program is building positive social skills in the youth, providing positive alternatives to idleness and antisocial behavior, and supporting parents in the primary role of care giving. The Afterschool clubs incorporate project activities, a service learning component, and a final showcase for the parents. Youth development professionals, using the experiential learning model of 4-H, can affect positive change within their communities by implementing a 4-H Afterschool program.

Silica-induced initiation of circular ZC3H4 RNA/ZC3H4 pathway promotes the pulmonary macrophage activation.

Science.gov (United States)

Yang, Xiyue; Wang, Jing; Zhou, Zewei; Jiang, Rong; Huang, Jie; Chen, Lulu; Cao, Zhouli; Chu, Han; Han, Bing; Cheng, Yusi; Chao, Jie

2018-01-22

Phagocytosis of silicon dioxide (SiO 2 ) into lung cells causes an inflammatory cascade that results in fibroblast proliferation and migration, followed by fibrosis. Circular RNAs (circRNAs) are a subclass of noncoding RNAs that are present within mammalian cells; however, researchers have not determined whether circRNAs are involved in the pathophysiologic process of silicosis. To elucidate the role of these RNAs in SiO 2 -induced inflammation in pulmonary macrophages, we investigated the upstream molecular mechanisms and functional effects of circRNAs on cell apoptosis, proliferation, and migration. Primary cultures of alveolar macrophages from healthy donors and from patients and the RAW264.7 macrophage cell line were used to explore the functions of circZC3H4 RNA in macrophage activation. The experimental results indicated the following: 1) SiO 2 concomitantly increased circZC3H4 RNA expression and increased ZC3H4 protein levels; 2) circular ZC3H4 (circZC3H4) RNA and ZC3H4 protein participated in SiO 2 -induced macrophage activation; and 3) SiO 2 -activated macrophages promoted fibroblast proliferation and migration via the circZC3H4 RNA/ZC3H4 pathway. The up-regulation of the ZC3H4 protein was confirmed in tissue samples from patients with silicosis. Our study elucidates a link between SiO 2 -induced macrophage activation and the circZC3H4 RNA/ZC3H4 pathway, thereby providing novel insight into the potential use of ZC3H4 to develop novel therapeutic strategies for silicosis.-Yang, X., Wang, J., Zhou, Z., Jiang, R., Huang, J., Chen, L., Cao, Z., Chu, H., Han, B., Cheng, Y., Chao, J. Silica-induced initiation of circular ZC3H4 RNA/ZC3H4 pathway promotes the pulmonary macrophage activation.

Magnetic measurements and neutron diffraction study of the layered hybrid compounds Mn(C8H4O4)(H2O)2 and Mn2(OH)2(C8H4O4)

International Nuclear Information System (INIS)

Sibille, Romain; Mesbah, Adel; Mazet, Thomas; Malaman, Bernard; Capelli, Silvia; François, Michel

2012-01-01

Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ) layered organic–inorganic compounds based on manganese(II) and terephthalate molecules (C 8 H 4 O 4 2− ) have been studied by DC and AC magnetic measurements and powder neutron diffraction. The dihydrated compound behaves as a 3D antiferromagnet below 6.5 K. The temperature dependence of its χT product is typical of a 2D Heisenberg system and allows determining the in-plane exchange constant J≈−7.4 K through the carboxylate bridges. The magnetic structure confirms the in-plane nearest neighbor antiferromagnetic interactions and the 3D ordering. The hydroxide based compound also orders as a 3D antiferromagnet with a higher Néel temperature (38.5 K). Its magnetic structure is described from two antiferromagnetically coupled ferromagnetic sublattices, in relation with the two independent metallic sites. The isothermal magnetization data at 2 K are consistent with the antiferromagnetic ground-state of these compounds. However, in both cases, a slope change points to field-induced modification of the magnetic structure. - Graphical abstract: The macroscopic magnetic properties and magnetic structures of two metal-organic frameworks based on manganese (II) and terephthalate molecules are presented. Highlights: ► Magnetic study of Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ). ► Two compounds with common features (interlayer linker/distance, S=5/2 spin). ► Magnetic measurements quantitatively analyzed to deduce exchange constants. ► Magnetic structures determined from neutron powder diffraction experiments.

4-[(3-Hydroxyanilino(phenylmethylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H-one

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Keraghel Saida

2012-06-01

Full Text Available In the title compound, C23H19N3O2, the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91 (6, 60.96 (4 and 57.01 (4°. The ligand is in the enamine–keto form and its structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, O—H...N hydrogen bonds link molecules into chains parallel to [01-1].

Phase formation in the systems ZrO2-H2SO4-Na2SO4 (NaCl)-H2O

International Nuclear Information System (INIS)

Sozinova, Yu.P.; Motov, D.L.; Rys'kina, M.P.

1988-01-01

Formation of solid phases in the systems ZrO 2 - H 2 SO 4 - Na 2 SO 4 (NaCl) - H 2 O at 25 and 75 deg C is studied. Three basic Na 2 Zr(OH) 2 (SO 4 ) 2 x (0.2 - 0.4)H 2 O, NaZrOH(SO 4 ) 2 x H 2 O, NaZrO 0.5 (OH) 2 SO 4 x 2H 2 O and three normal sodium sulfatozirconates Na 2 Zr(SO 4 ) 3 x 3H 2 O, Na 4 Zr(SO 4 ) 4 x 3H 2 O, Na 6 Zr(SO 4 ) 5 x 4H 2 O have been isolated, their solubility and crystal optical properties are determined

Experimental studies of collisions of excited Li(4p) atoms with C2H4, C2H6, C3H8 and theoretical interpretation of the Li-C2H4 system

International Nuclear Information System (INIS)

Semmineh, Natenael; Bililign, Solomon; Hagebaum-Reignier, Denis; Jeung, Gwang-Hi

2009-01-01

Collisions of excited Li(4p) states with C 2 H 4 , C 2 H 6 and C 3 H 8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C 2 H 4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C 2 H 4 , C 2 H 6 and C 3 H 8 ) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C 2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied

5-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H-dione

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Salman A. Khan

2010-03-01

Full Text Available The title compound, 5-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H-dione, has been synthesized by condensation of 1,3-diethyl-2-thiobarbituric acid and 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and EI-MS spectral analysis.

Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

International Nuclear Information System (INIS)

Petrosyants, S.P.; Ilyukhin, A.B.

2005-01-01

Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

Synthesis and crystal structure of hydrogen selenates K(HSeO4)(H2SeO4) and Cs(HSeO4)(H2SeO4)

International Nuclear Information System (INIS)

Troyanov, S.I.; Morozov, I.V.; Zakharov, M.A.; Kemnitz, E.

1999-01-01

Hydrogen selenates of the compositions K(HSeO 4 )(H 2 SeO 4 ) and Cs(HSeO 4 )(H 2 SeO 4 ) are synthesized by the reaction of alkali metal carbonates with an excess of the concentrated selenic acid. The X-ray diffraction study showed that both compounds are isostructural to the corresponding hydrogen sulfates. The difference in the systems of hydrogen bonding are caused by various combinations of the acceptor functions of the oxygen atoms in the HSeO 4 and H 2 SeO 4 groups

Reversible Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride State, the E4(4H) Janus Intermediate

OpenAIRE

Lukoyanov, Dmitriy; Khadka, Nimesh; Yang, Zhi-Yong; Dean, Dennis R.; Seefeldt, Lance C.; Hoffman, Brian M.

2016-01-01

We recently demonstrated that N2 reduction by nitrogenase involves the obligatory release of one H2 per N2 reduced. These studies focused on the E4(4H) ‘Janus intermediate’, which has accumulated four reducing equivalents as two [Fe-H-Fe] bridging hydrides. E4(4H) is poised to bind and reduce N2 through reductive elimination (re) of the two hydrides as H2, coupled to the binding/reduction of N2. To obtain atomic-level details of the re activation process, we carried out in situ 450 nm photoly...

A Descriptive View of the 4-H Club Experience Through the Lens of 4-H Youth

Directory of Open Access Journals (Sweden)

Lisa A. Guion

2008-12-01

Full Text Available 4-H like other youth development programs should be generally marked by the presence of three features of optimal youth programming: 1. youth participation and leadership, 2. positive adult-youth relationships, and 3. skill building activities (Lerner, 2004. This paper reviews a study which examined the extent to which 4-H youth felt they had “opportunities” to engage in different learning experiences, and provide leadership to those experiences within their clubs. The study also examined the youth’s perceptions about whether their experience in the 4-H Club helped them spend more time with their parents, have a positive relationship with another adult and do things independently. An examination of whether there is a difference in life skill development in 4-H based on certain key demographic variables is also discussed. The results of this study are shared as well as implications for practice and recommendations for further research.

Teledyne H1RG, H2RG, and H4RG Noise Generator

Science.gov (United States)

Rauscher, Bernard J.

2015-01-01

This paper describes the near-infrared detector system noise generator (NG) that we wrote for the James Webb Space Telescope (JWST) Near Infrared Spectrograph (NIRSpec). NG simulates many important noise components including; (1) white "read noise", (2) residual bias drifts, (3) pink 1/f noise, (4) alternating column noise, and (5) picture frame noise. By adjusting the input parameters, NG can simulate noise for Teledyne's H1RG, H2RG, and H4RG detectors with and without Teledyne's SIDECAR ASIC IR array controller. NG can be used as a starting point for simulating astronomical scenes by adding dark current, scattered light, and astronomical sources into the results from NG. NG is written in Python-3.4.

Histamine H4 receptor in oral lichen planus.

Science.gov (United States)

Salem, A; Al-Samadi, A; Stegajev, V; Stark, H; Häyrinen-Immonen, R; Ainola, M; Hietanen, J; Konttinen, Y T

2015-04-01

Oral lichen planus (OLP) is an autoimmune disease characterized by a band-like T-cell infiltrate below the apoptotic epithelial cells and degenerated basement membrane. We tested the hypothesis that the high-affinity histamine H4 receptors (H4 Rs) are downregulated in OLP by high histamine concentrations and proinflammatory T-cell cytokines. Immunohistochemistry and immunofluorescence staining, image analysis and quantitative real-time polymerase chain reaction of tissue samples and cytokine-stimulated cultured SCC-25 and primary human oral keratinocytes. H4 R immunoreactivity was weak in OLP and characterized by mast cell (MC) hyperplasia and degranulation. In contrast to controls, H4 R immunostaining and MC counts were negatively correlated in OLP (P = 0.003). H4 R agonist at nanomolar levels led to a rapid internalization of H4 Rs, whereas high histamine concentration and interferon-γ decreased HRH4 -gene transcripts. Healthy oral epithelial cells are equipped with H4 R, which displays a uniform staining pattern in a MC-independent fashion. In contrast, in OLP, increased numbers of activated MCs associate with increasing loss of epithelial H4 R. Cell culture experiments suggest a rapid H4 R stimulation-dependent receptor internalization and a slow cytokine-driven decrease in H4 R synthesis. H4 R may be involved in the maintenance of healthy oral mucosa. In OLP, this maintenance might be impaired by MC degranulation and inflammatory cytokines. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Why 4-H Members Leave: A Study of Discontinuance through Both Current 4-H Members and Former Members

Science.gov (United States)

Chilek, Kevin Dwayne

2012-01-01

4-H members quit. It is part of every 4-H program, and according to the research, it is even part of growing up. If only we knew why they quit, we could possibly do something about it. To date, the reasons youth join 4-H have been more thoroughly researched than the reasons they quit. This study explores why youth choose to discontinue membership…

Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

International Nuclear Information System (INIS)

Li, Jun; Zhang, Zhigang; Luo, Xiaorong; Li, Xiaochun

2015-01-01

Highlights: • A new model was established for the phase equilibria of C1–C2–C3–nC4–brine systems. • The model can reproduce of hydrocarbon–brine equilibria to high T&P and salinity. • The model can well predict H 2 O solubility in light hydrocarbon rich phases. - Abstract: A thermodynamic model is presented for the mutual solubility of CH 4 –C 2 H 6 –C 3 H 8 –nC 4 H 10 –brine systems up to high temperature, pressure and salinity. The Peng–Robinson model is used for non-aqueous phase fugacity calculations, and the Pitzer model is used for aqueous phase activity calculations. The model can accurately reproduce the experimental solubilities of CH 4 , C 2 H 6 , C 3 H 8 and nC 4 H 10 in water or NaCl solutions and H 2 O solubility in the non-aqueous phase. The experimental data of mutual solubility for the CH 4 –brine subsystem are sufficient for temperatures exceeding 250 °C, pressures exceeding 1000 bar and NaCl molalities greater than 6 molal. Compared to the CH 4 –brine system, the mutual solubility data of C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine are not sufficient. Based on the comparison with the experimental data of H 2 O solubility in C 2 H 6 -, C 3 H 8 - or nC 4 H 10 -rich phases, the model has an excellent capability for the prediction of H 2 O solubility in hydrocarbon-rich phases, as these experimental data were not used in the modelling. Predictions of hydrocarbon solubility (at temperatures up to 200 °C, pressures up to 1000 bar and NaCl molalities greater than 6 molal) were made for the C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine systems. The predictions suggest that increasing pressure generally increases the hydrocarbon solubility in water or brine, especially in the lower-pressure region. Increasing temperature usually decreases the hydrocarbon solubility at lower temperatures but increases the hydrocarbon solubility at higher temperatures. Increasing water salinity dramatically decreases

Epitaxial growth of unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures on 4H Au nanoribbons

KAUST Repository

Fan, Zhanxi; Chen, Ye; Zhu, Yihan; Wang, Jie; Li, Bing; Zong, Yun; Han, Yu; Zhang, Hua

2016-01-01

Metal nanomaterials normally adopt the same crystal structure as their bulk counterparts. Herein, for the first time, the unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures have been synthesized on 4H Au nanoribbons (NRBs) via solution-phase epitaxial growth under ambient conditions. Interestingly, the 4H Au NRBs undergo partial phase transformation from 4H to face-centered cubic (fcc) structures after the metal coating. As a result, a series of polytypic 4H/fcc bimetallic Au@M (M = Ir, Rh, Os, Ru and Cu) core-shell NRBs has been obtained. We believe that the rational crystal structure-controlled synthesis of metal nanomaterials will bring new opportunities for exploring their phase-dependent physicochemical properties and promising applications.

Epitaxial growth of unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures on 4H Au nanoribbons

KAUST Repository

Fan, Zhanxi

2016-09-12

Metal nanomaterials normally adopt the same crystal structure as their bulk counterparts. Herein, for the first time, the unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures have been synthesized on 4H Au nanoribbons (NRBs) via solution-phase epitaxial growth under ambient conditions. Interestingly, the 4H Au NRBs undergo partial phase transformation from 4H to face-centered cubic (fcc) structures after the metal coating. As a result, a series of polytypic 4H/fcc bimetallic Au@M (M = Ir, Rh, Os, Ru and Cu) core-shell NRBs has been obtained. We believe that the rational crystal structure-controlled synthesis of metal nanomaterials will bring new opportunities for exploring their phase-dependent physicochemical properties and promising applications.

Genetic characterization of avian influenza subtype H4N6 and H4N9 from live bird market, Thailand

Directory of Open Access Journals (Sweden)

Kitikoon Pravina

2011-03-01

Full Text Available Abstract A one year active surveillance program for influenza A viruses among avian species in a live-bird market (LBM in Bangkok, Thailand was conducted in 2009. Out of 970 samples collected, influenza A virus subtypes H4N6 (n = 2 and H4N9 (n = 1 were isolated from healthy Muscovy ducks. All three viruses were characterized by whole genome sequencing with subsequent phylogenetic analysis and genetic comparison. Phylogenetic analysis of all eight viral genes showed that the viruses clustered in the Eurasian lineage of influenza A viruses. Genetic analysis showed that H4N6 and H4N9 viruses display low pathogenic avian influenza characteristics. The HA cleavage site and receptor binding sites were conserved and resembled to LPAI viruses. This study is the first to report isolation of H4N6 and H4N9 viruses from birds in LBM in Thailand and shows the genetic diversity of the viruses circulating in the LBM. In addition, co-infection of H4N6 and H4N9 in the same Muscovy duck was observed.

Can 4-H Involvement Have a Positive Impact on 4-H Youth’s Bullying Beliefs and Behaviors?

Directory of Open Access Journals (Sweden)

Dennis W. Duncan

2016-12-01

Full Text Available Bullying has negative emotional and physical effects on youth which often continues into adulthood. Bullying can contribute to emotional distress which is often more difficult to detect in victims.  Documented effects of bullying include depression, anxiety, bitterness, elevated levels of stress, as well as negative feelings of self-image and low self-esteem. The purpose of this study was to examine the impact that involvement in the state 4-H program has on bullying beliefs and behaviors. This study found that 94% of the participants (senior high students agreed that 4-H helped them to shape their belief towards bullying; 84% either agreed or strongly agreed that 4-H has helped them be more confident around strangers; and 93% indicated that 4-H helped them to gain confidence in situations so they could speak up for themselves.

Strengthening 4-H by Analyzing Enrollment Data

Science.gov (United States)

Hamilton, Stephen F.; Northern, Angela; Neff, Robert

2014-01-01

The study reported here used data from the ACCESS 4-H Enrollment System to gain insight into strengthening New York State's 4-H programming. Member enrollment lists from 2009 to 2012 were analyzed using Microsoft Excel to determine trends and dropout rates. The descriptive data indicate declining 4-H enrollment in recent years and peak enrollment…

Spontaneous compactification of a (4+d)-dimensional Kaluza-Klein theory into M4xG/H for arbitrary G and H

International Nuclear Information System (INIS)

Randjbar-Daemi, S.; Percacci, R.

1982-05-01

Einstein-Yang-Mills theory in 4+d dimensions admits a solution of the form M 4 xG/H, where M 4 is Einstein and G/H is symmetric, if the gauge group is H (or larger). The gauge fields of this solution are topologically nontrivial. The symmetry group is G 4 xGxH, G 4 being the isometry group of M 4 ; M 4 could be Minkowski or anti-de-Sitter space. (author)

Conductivity And Thermal Stability of Solid Acid Composites CsH2PO4 /NaH2PO4/ SiO2

International Nuclear Information System (INIS)

Norsyahida Mohammad; Abu Bakar Mohamad; Abu Bakar Mohamad; Abdul Amir Hassan Kadhum

2016-01-01

Solid acid composites CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 with different mole ratios of CsH 2 PO 4 and NaH 2 PO 4 to SiO 2 were synthesized and characterized. Preliminary infrared measurements of CsH 2 PO 4 and its composites indicated that hydrogen bonds breaking and formation were detected between 1710 to 2710 cm -1 , while the rotation of phosphate tetrahedral anions occurred between 900 and 1200 cm -1 . The superprotonic transition of CsH 2 PO 4 / NaH 2 PO 4 / SiO 2 composite was identified at superprotonic temperatures between 230 and 260 degree Celcius, under atmospheric pressure. This study reveals higher conductivity values for composites with higher CsH 2 PO 4 (CDP) content. Solid acid composite CDP 613 appeared as the composite with the highest conductivity that is 7.2x10 -3 S cm -1 at 230 degree Celcius. Thermal stability of the solid acid composites such as temperature of dehydration, melting and decomposition were investigated. The addition of NaH 2 PO 4 lowers the dehydration temperature of the solid acid composites. (author)

4(1H)-Pyridone and 4(1H)-Quinolone Derivatives as Antimalarials with Erythrocytic, Exoerythrocytic, and Transmission Blocking Activities

Science.gov (United States)

Monastyrskyi, Andrii; Kyle, Dennis E.; Manetsch, Roman

2015-01-01

Infectious diseases are the second leading cause of deaths in the world with malaria being responsible for approximately the same amount of deaths as cancer in 2012. Despite the success in malaria prevention and control measures decreasing the disease mortality rate by 45% since 2000, the development of single-dose therapeutics with radical cure potential is required to completely eradicate this deadly condition. Targeting multiple stages of the malaria parasite is becoming a primary requirement for new candidates in antimalarial drug discovery and development. Recently, 4(1H)-pyridone, 4(1H)-quinolone, 1,2,3,4-tetrahydroacridone, and phenoxyethoxy-4(1H)-quinolone chemotypes have been shown to be antimalarials with blood stage activity, liver stage activity, and transmission blocking activity. Advancements in structure-activity relationship and structure-property relationship studies, biological evaluation in vitro and in vivo, as well as pharmacokinetics of the 4(1H)-pyridone and 4(1H)-quinolone chemotypes will be discussed. PMID:25116582

DAXX envelops a histone H3.3-H4 dimer for H3.3-specific recognition

Energy Technology Data Exchange (ETDEWEB)

Elsässer, Simon J; Huang, Hongda; Lewis, Peter W; Chin, Jason W; Allis, C David; Patel, Dinshaw J [MSKCC; (Rockefeller); (MRC)

2013-01-24

Histone chaperones represent a structurally and functionally diverse family of histone-binding proteins that prevent promiscuous interactions of histones before their assembly into chromatin. DAXX is a metazoan histone chaperone specific to the evolutionarily conserved histone variant H3.3. Here we report the crystal structures of the DAXX histone-binding domain with a histone H3.3–H4 dimer, including mutants within DAXX and H3.3, together with in vitro and in vivo functional studies that elucidate the principles underlying H3.3 recognition specificity. Occupying 40% of the histone surface-accessible area, DAXX wraps around the H3.3–H4 dimer, with complex formation accompanied by structural transitions in the H3.3–H4 histone fold. DAXX uses an extended α-helical conformation to compete with major inter-histone, DNA and ASF1 interaction sites. Our structural studies identify recognition elements that read out H3.3-specific residues, and functional studies address the contributions of Gly90 in H3.3 and Glu225 in DAXX to chaperone-mediated H3.3 variant recognition specificity.

Benchmarking the Kansas 4-H Judging System

Directory of Open Access Journals (Sweden)

Amy M. Taylor

2009-12-01

Full Text Available This study investigated the methods and policies associated with 4-H project judging at the county level within the Kansas 4-H Program. Extension Agents surveyed about current 4-H judging processes indicated a variety of methods used. Data collected showed that 21.8% of the counties surveyed practiced some type of project judging without the 4-H member present. In regard to feedback received by the youth in non-livestock project judging, 64.1% of counties reported both verbal and written forms of feedback, with 25.6% receiving only verbal. In livestock project judging, 93.8% reported that youth receive feedback only verbally. The majority of non-livestock projects are judged using the Danish system, while the number of livestock projects judged are split among both the Danish system and peer system of competitive judging. It was concluded that a wide-variety of judging methods are used, resulting in incongruent programs offered to 4-H members.

NH4In(SeO4)2x4H2O crystal structure interpretation

International Nuclear Information System (INIS)

Soldatov, E.A.; Kuz'min, Eh.A.; Ilyukhin, V.V.

1979-01-01

The rhomb method has been applied to interpret the structure of monoclinic ammonium indium selenate NH 4 In(SeO 4 ) 2 x4H 2 O the elementary cell of which contains Z=4 formula units (a=10.728, b=9.434, c=11.086 A, γ=101.58). The space group is P2 1 /b. The structure foundation is composed of [In(SeO 4 ) 2 x2H 2 O] 1- mixed layers parallel to (100). ''Free'' H 2 O molecules and NH 4 + cations are situated between the layers

Electric field effect on the emission rate of H4F and H4S hole traps in InP

International Nuclear Information System (INIS)

Darwich, R.; Alek, B.

2010-01-01

The electric field effect on the emission rate enhancement of the H4 F and H4 S hole trap in highly Zn-doped InP has been examined using the deep level transient spectroscopy (DLTS) and double correlation DLTS (DDLTS). The DLTS and DDLTS results have been found to be in good agreement for low and intermediate electric fields, but they disagree for large field effect. Comparing our emission data with the theory, we have found that H4 F obeys the quantum model of phonon-assisted tunneling while H4 S follows the Poole-Frenkel model employing a three-dimensional screening coulombic potential. Our results show that the H4 S defect can be attributed to a charged (V p - Zn) complex. (author)

Antifungal properties of wheat histones (H1-H4) and purified wheat histone H1

Science.gov (United States)

Wheat (Triticum sp.) histones H1, H2, H3, and H4 were extracted. H1 was further purified. Their activities against fungi with varying degrees of wheat pathogenicity were determined. They included Aspergillus flavus, A. fumigatus, A. niger, F. oxysporum, F. verticillioides, F. solani, F. graminearu...

4-[(3-Phenyl-4,5-dihydroisoxazol-5-ylmethyl]-2H-benzo[b][1,4]thiazin-3(4H-one

Directory of Open Access Journals (Sweden)

Nada Kheira Sebbar

2016-06-01

Full Text Available In the title compound, C18H16N2O2S, the 5-dihydroisoxazol-5-yl ring and its phenyl substituent are nearly coplanar, with the largest deviation from the mean plane being 0.0184 (16 Å. The thiomorpholin-3-one ring adopts a screw-boat conformation and the attached benzene ring makes a dihedral angle of 42.26 (7° with the mean plane through the 3-phenyl-4,5-dihydroisoxazol-5-yl ring system. In the crystal, molecules are linked by pairs of C—H...N hydrogen bonds, forming inversion dimers. These dimers are linked via C—H...O hydrogen bonds, generating a three-dimensional network.

1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H-one

Directory of Open Access Journals (Sweden)

Giuseppe Daidone

2008-05-01

Full Text Available The title compound, C18H15N3O, is the product of the thermal decomposition of the diazonium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-ylbenzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The molecule has a nearly planar phenylpyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2 Å for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1°. The packing is stabilized by C—H...N hydrogen-bond interactions, with the formation of molecular chains along the c axis.

Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123

Energy Technology Data Exchange (ETDEWEB)

An, Sojin [Department of Biological Chemistry, University of Michigan Medical School, Michigan, United States; Yoon, Jungmin [Structural Biology Laboratory of Epigenetics, Department of Biological Sciences, Graduate school of Nanoscience and Technology (World Class University), KI for the BioCentury, Korea Advanced Institute of Science and Technology, Daejeon, South Korea; Kim, Hanseong [Department of Biological Chemistry, University of Michigan Medical School, Michigan, United States; Song, Ji-Joon [Structural Biology Laboratory of Epigenetics, Department of Biological Sciences, Graduate school of Nanoscience and Technology (World Class University), KI for the BioCentury, Korea Advanced Institute of Science and Technology, Daejeon, South Korea; Cho, Uhn-soo [Department of Biological Chemistry, University of Michigan Medical School, Michigan, United States

2017-10-16

Kap123, a major karyopherin protein of budding yeast, recognizes the nuclear localization signals (NLSs) of cytoplasmic histones H3 and H4 and translocates them into the nucleus during DNA replication. Mechanistic questions include H3- and H4-NLS redundancy toward Kap123 and the role of the conserved diacetylation of cytoplasmic H4 (K5ac and K12ac) in Kap123-mediated histone nuclear translocation. Here, we report crystal structures of full-length Kluyveromyces lactis Kap123 alone and in complex with H3- and H4-NLSs. Structures reveal the unique feature of Kap123 that possesses two discrete lysine-binding pockets for NLS recognition. Structural comparison illustrates that H3- and H4-NLSs share at least one of two lysine-binding pockets, suggesting that H3- and H4-NLSs are mutually exclusive. Additionally, acetylation of key lysine residues at NLS, particularly H4-NLS diacetylation, weakens the interaction with Kap123. These data support that cytoplasmic histone H4 diacetylation weakens the Kap123-H4-NLS interaction thereby facilitating histone Kap123-H3-dependent H3:H4/Asf1 complex nuclear translocation.

Synthetic, spectroscopic and structural studies on 4-aminobenzoate complexes of divalent alkaline earth metals: x-ray crystal structures of [[Mg(H2O)6] (4-aba)2].2H2O and [Ca(H2O)2(4-aba)2] (4-aba=4-aminobenzoate)

International Nuclear Information System (INIS)

Murugavel, Ramaswamy; Karambelkar, Vivek V.; Anantharaman, Ganapathi

2000-01-01

Reactions between MCl 2 .nH 2 O (M = Mg, Ca, Sr, and Ba) and 4-aminobenzoic acid (4-abaH) result in the formation of complexes [(Mg(H 2 O) 6 )(4-aba) 2 ) .2H 2 O (I), [Ca(4-aba) 2 (H2 O ) 2 ] (2), [Sr(4-aba) 2 (H2 O ) 2 ] (3), and [Ba(4-aba) 2 Cl] (4), respectively. The new compounds 1 and 2, as well as the previously reported 3 and 4 form an extended intra- and intermolecular hydrogen bonded network in the solid-state. The compounds have been characterized by elemental analysis, pH measurements, thermogravimetric studies, and IR, NMR, and UV-Vis spectroscopy. The solid state structures of the molecules 1 and 2 have been determined by single crystal x-ray diffraction studies. In the case of magnesium complex 1, the dipositively charged Mg cation is surrounded by six water molecules and the two 4-aminobenzoate ligands show no direct bonding to the metal ion. The calcium ion in 2 is octa-coordinated with direct coordination of the 4-aminobenzoate ligands to the metal ion. The Ca-Ca separation in the polymeric chain of 2 is 3.9047(5) A. (author)

Thyroid epithelial cell hyperplasia in IFN-gamma deficient NOD.H-2h4 mice.

Science.gov (United States)

Yu, Shiguang; Sharp, Gordon C; Braley-Mullen, Helen

2006-01-01

The role of inflammatory cells in thyroid epithelial cell (thyrocyte) hyperplasia is unknown. Here, we demonstrate that thyrocyte hyperplasia in IFN-gamma-/- NOD.H-2h4 mice has an autoimmune basis. After chronic exposure to increased dietary iodine, 60% of IFN-gamma-/- mice had severe thyrocyte hyperplasia with minimal or moderate lymphocyte infiltration, and thyroid dysfunction with reduced serum T4. All mice produced anti-thyroglobulin autoantibody. Some wild-type NOD.H-2h4 mice had isolated areas of thyrocyte hyperplasia with predominantly lymphocytic infiltration, whereas IL-4-/- and 50% of wild-type NOD.H-2h4 mice developed lymphocytic thyroiditis but no thyrocyte hyperplasia. Both thyroid infiltrating inflammatory cells and environmental factors (iodine) were required to induce thyrocyte hyperplasia. Splenocytes from IFN-gamma-/- mice with thyrocyte hyperplasia, but not splenocytes from naïve IFN-gamma-/- mice, induced hyperplasia in IFN-gamma-/- NOD.H-2h4.SCID mice. These results may provide clues for understanding the mechanisms underlying development of epithelial cell hyperplasia not only in thyroids but also in other tissues and organs.

Determination and modeling for the solubility of Na_2WO_4·2H_2O and Na_2MoO_4·2H_2O in the (Na"+ + MoO_4"2"− + WO_4"2"− + SO_4"2"− + H_2O) system

International Nuclear Information System (INIS)

Ning, Pengge; Xu, Weifeng; Cao, Hongbin; Xu, Hongbin

2016-01-01

Highlights: • The solubility of Na_2MoO_4·2H_2O and Na_2WO_4·2H_2O in Na_2MoO_4–Na_2WO_4–Na_2SO_4–H_2O were performed. • The solubility of sodium tungstate dihydrate in Na_2WO_4–Na_2SO_4–H_2O was determined. • The new model was established via regressing the published and the determined data. • The Pitzer parameter and the solubility product constant of the salt in solution were calculated. • The model was used to estimate the solubility of the sodium molybdate and sodium tungstate. - Abstract: The solubility of sodium tungstate dihydrate and sodium molybdate dihydrate in the (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) system was studied using experimental and calculated methods. The osmotic coefficient of sodium tungstate was fitted to calculate the thermodynamics parameters of (Na_2WO_4 + H_2O) system. The solubility of sodium tungstate dihydrate was determined using the dynamic method in Na_2WO_4–Na_2SO_4–H_2O to establish the new model which can provide an estimate the solubility of sodium tungstate dihydrate in various conditions, combined with the data published, the solubility of sodium tungstate dihydrate and the sodium molybdate dihydrate in quaternary system of (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) was estimated using the parameters of the two ternary systems of (Na_2WO_4 + Na_2SO_4 + H_2O) and (Na_2MoO_4 + Na_2SO_4 + H_2O). The results show that the AARD is always small and the calculated value is basically consistent with the experimental values for the system studied.

Ab initio investigation of thermodynamic stability and structure of cell molecules B3N4H8 and Be4O4H8

International Nuclear Information System (INIS)

Minyaev, R.M.

2000-01-01

Ab initio calculation methods (RHF/6-31G, MP2(full)/6-31G and MP2(full)/6-311++G) ) are used to investigate thermodynamic stability, energy and structural characteristics of different position isomers of isoelectron B 3 N 4 H 8 (1) and Be 4 O 4 H 8 (2) systems with cubane structure. High thermodynamic stability of these system is shown. Decomposition of structure (1) into two 1,3,2,4-diazadiborethidine molecules or four molecules of iminoborane HBNH is an endothermal process and needs 10.1 (RHF/6-31G), 39/6 (MP2(full)/6-31G) Cal/mol and 140.6 (RHF/6-31G), 161.4 (MP2(full)/6-31G) Cal/mol accordingly. Decomposition of structure (2) into two 1,3,2,4-dioxydiberyllotidine or four molecules of HBeOH is an endothermal process too and needs 22.1 (RHF/6-31G), 39.8 (MP2(full)/6-31G) Cal/mol and 127.1(RHF/6-31G), 155.2 MP2(full)/6-31G) Cal/mol accordingly. Geometrical characteristics of simple BeH 2 , Be 2 , Be 2 H 2 , Be 2 H 4 , BeO, Be 2 O 2 molecules are calculated [ru

Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce, Nd

International Nuclear Information System (INIS)

De Almeida, Lucie; Grandjean, Stephane; Abraham, Francis; Rivenet, Murielle; Patisson, Fabrice

2014-01-01

New hydrazinium lanthanide oxalates N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce (Ce-H_yO_x) and Nd (Nd- H_yO_x), were synthesized by hydrothermal reaction at 150 C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2_1/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Angstroms, β = 116.638(4) degrees, V = 2021.4(7) Angstroems"3, Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO_9 and NdO_8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm"-"1 confirms the coordination of N_2H_5"+ to the metal. These polyhedra are connected through μ"2 and μ"3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-H_yO_x) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO_2 and Ce_0_._5Nd_0_._5O_1_._7_5 are formed at low temperature from Ce-H_yO_x and CeNd-H_yO_x, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxy-mono-cyanamides Ln_2O_2CN_2 are formed. (authors)

Speciation in the aqueous H+/H2VO4-/H2O2/citrate system of biomedical interest.

Science.gov (United States)

Gorzsás, András; Getty, Kendra; Andersson, Ingegärd; Pettersson, Lage

2004-09-21

The speciation in the quaternary aqueous H+/H2VO4-/H2O2/citrate (Cit3-) and H+/H2VO4-/Cit3-/L-(+)-lactate (Lac-) systems has been determined at 25 degrees C in the physiological medium of 0.150 M Na(Cl). A combination of 51V NMR integral intensities and chemical shift (Bruker AMX500) as well as potentiometric data (glass electrode) have been collected and evaluated with the computer program LAKE, which is able to treat multimethod data simultaneously. The pKa-values for citric acid have been determined as 2.94, 4.34 and 5.61. Altogether six vanadate-citrate species have been found in the ternary H+/H2VO4-/Cit3- system in the pH region 2-10, only two of which are mononuclear. Reduction of vanadium(V) becomes more pronounced at pH acidic solutions limited the final model to pH > 4. In the quaternary H+/H2VO4-/Cit3-/Lac- system, two mixed-ligand species have been determined, with the compositions V2CitLac2- and V2CitLac3- (pKa = 5.0). To our knowledge, this is the first time such complexes have been reported for vanadium(V). 51V NMR chemical shifts, compositions and formation constants are given, and equilibrium conditions are illustrated in distribution diagrams as well as the fit of the model to the experimental data. When suitable, structural proposals are given, based on 13C NMR measurements and available literature data of related compounds.

Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106

Energy Technology Data Exchange (ETDEWEB)

Su, Dan; Hu, Qi; Li, Qing; Thompson, James R; Cui, Gaofeng; Fazly, Ahmed; Davies, Brian A; Botuyan, Maria Victoria; Zhang, Zhiguo; Mer, Georges [Mayo

2013-04-08

Dynamic variations in the structure of chromatin influence virtually all DNA-related processes in eukaryotes and are controlled in part by post-translational modifications of histones. One such modification, the acetylation of lysine 56 (H3K56ac) in the amino-terminal α-helix (αN) of histone H3, has been implicated in the regulation of nucleosome assembly during DNA replication and repair, and nucleosome disassembly during gene transcription. In Saccharomyces cerevisiae, the histone chaperone Rtt106 contributes to the deposition of newly synthesized H3K56ac-carrying H3-H4 complex on replicating DNA, but it is unclear how Rtt106 binds H3-H4 and specifically recognizes H3K56ac as there is no apparent acetylated lysine reader domain in Rtt106. Here, we show that two domains of Rtt106 are involved in a combinatorial recognition of H3-H4. An N-terminal domain homodimerizes and interacts with H3-H4 independently of acetylation while a double pleckstrin-homology (PH) domain binds the K56-containing region of H3. Affinity is markedly enhanced upon acetylation of K56, an effect that is probably due to increased conformational entropy of the αN helix of H3. Our data support a mode of interaction where the N-terminal homodimeric domain of Rtt106 intercalates between the two H3-H4 components of the (H3-H4)₂ tetramer while two double PH domains in the Rtt106 dimer interact with each of the two H3K56ac sites in (H3-H4)₂. We show that the Rtt106-(H3-H4)₂ interaction is important for gene silencing and the DNA damage response.

New crystals of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O system

Energy Technology Data Exchange (ETDEWEB)

Makarova, I. P., E-mail: makarova@crys.ras.ru; Grebenev, V. V.; Komornikov, V. A.; Selezneva, E. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation)

2016-11-15

Cs{sub 6}H(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}){sub 4} crystals, grown for the first time based on an analysis of the phase diagram of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O ternary system, have been investigated by structural analysis using synchrotron radiation. The atomic structure of the crystals is determined and its specific features are analyzed.

Cathepsin H indirectly regulates morphogenetic protein-4 (BMP-4) in various human cell lines

Science.gov (United States)

Rojnik, Matija; Jevnikar, Zala; Mirkovic, Bojana; Janes, Damjan; Zidar, Nace; Kikelj, Danijel; Kos, Janko

2011-01-01

Background Cathepsin H is a cysteine protease considered to play a major role in tumor progression, however, its precise function in tumorigenesis is unclear. Cathepsin H was recently proposed to be involved in processing of bone morphogenetic protein 4 (BMP-4) in mice. In order to clarify whether cathepsin H also regulates BMP-4 in humans, its impact on BMP-4 expression, processing and degradation was investigated in prostate cancer (PC-3), osteosarcoma (HOS) and pro-monocytic (U937) human cell lines. Materials and methods BMP-4 expression was founded to be regulated by cathepsin H using PCR array technology and confirmed by real time PCR. Immunoassays including Western blot and confocal microscopy were used to evaluate the influence of cathepsin H on BMP-4 processing. Results In contrast to HOS, the expression of BMP-4 mRNA in U937 and PC3 cells was significantly decreased by cathepsin H. The different regulation of BMP-4 synthesis could be associated with the absence of the mature 28 kDa cathepsin H form in HOS cells, where only the intermediate 30 kDa form was observed. No co-localization of BMP-4 and cathepsin H was observed in human cell lines and the multistep processing of BMP-4 was not altered in the presence of specific cathepsin H inhibitor. Isolated cathepsin H does not cleave mature recombinant BMP-4, neither with its amino- nor its endopeptidase activity. Conclusions Our results exclude direct proteolytic processing of BMP-4 by cathepsin H, however, they provide support for its involvement in the regulation of BMP-4 expression. PMID:22933963

H2SO4-HNO3-H2O ternary system in the stratosphere

Science.gov (United States)

Kiang, C. S.; Hamill, P.

1974-01-01

Estimation of the equilibrium vapor pressure over the ternary system H2SO4-HNO3-H2O to study the possibility of stratospheric aerosol formation involving HNO3. It is shown that the vapor pressures for the ternary system H2SO4-HNO3-H2O with weight composition around 70-80% H2SO4, 10-20% HNO3, 10-20% H2O at -50 C are below the order of 10 to the minus 8th mm Hg. It is concluded that there exists more than sufficient nitric acid and water vapor in the stratosphere to participate in ternary system aerosol formation at -50 C. Therefore, HNO3 should be present in stratospheric aerosols, provided that H2SO4 is also present.

Observation of the Rotational Spectra of 4HeH+, 4HeD+, 3HeH+, and 3HeD+

International Nuclear Information System (INIS)

Matsushima, F.; Oka, T.; Takagi, K.

1997-01-01

Low J rotational transitions of 4 HeH + , 4 HeD + , 3 HeH + , and 3 HeD + were observed in the 2 endash 5THz region with a high-precision far-infrared spectrometer. Dunham coefficients Y kl and isotopically independent parameters U kl , Δ He kl , and Δ H kl were determined. In particular, Δ parameters with k=0 and l=1,2 were determined with unprecedented accuracy, and provide important information for breakdown of the Born-Oppenheimer approximation. The lowest J=1 left-arrow 0 transition of 4 HeH + observed at 2010.1839(2)GHz will be an important future probe for detecting this species in space. copyright 1997 The American Physical Society

F−/OH− substitution in [H4tren]4+ and [H3tren]3+ hydroxyfluorotitanates(IV) and classification of tren cation configurations

International Nuclear Information System (INIS)

Lhoste, Jérôme; Body, Monique; Legein, Christophe; Ribaud, Annie; Leblanc, Marc; Maisonneuve, Vincent

2014-01-01

Three [H 3 tren] 3+ or [H 4 tren] 4+ hydroxyfluorotitanates(IV) are solvothermally synthesized from TiO 2 , tren amine, 40% HF aqueous solution and ethanol under microwave heating at 120 °C and 190 °C. [H 4 tren]·(TiF 4.6 (OH) 1.4 ) 2 ·2.7H 2 O (I) and β-[H 3 tren]·(TiF 4.5 (OH) 1.5 )·(F) (II) are described for the first time. The third compound, α-[H 3 tren]·(TiF 4.7 (OH) 1.3 )·(F) (III), was previously reported as a pure fluorotitanate. The structure determinations are performed from single crystal (I) and powder (II) X-ray diffraction data. The F − /OH − substitution, expected from the presence of water in the reaction medium, is characterized by chemical analyses and 19 F MAS solid state NMR experiments: all three structures are built up from Ti(F,OH) 6 2− octahedra and “free” fluoride ions or water molecules. “Free” fluoride ions are not affected by F − /OH − substitution. The electroneutrality is ensured by triprotonated or tetraprotonated tren amines which adopt specific configurations. Additionally, based on the analysis of [H 3 tren] 3+ or [H 4 tren] 4+ hydroxo/oxo/fluorometalates, a classification of the configurations of tren cations is proposed. - Graphical abstract: The ratio of the relative intensities of the 19 F NMR lines assigned to F atoms belonging to isolated TiF 6−x (OH) x octahedra and to “free” fluoride ions shows that the F − /OH − substitution concerns only F atoms bonded to titanium. - Highlights: • Three tren templated hydroxyfluorotitanates(IV) have been solvothermally synthesized. • They are built up from Ti(F,OH) 6 2− octahedra and “free” F − ions or H 2 O molecules. • F − /OH − substitution does not affect “free” F − sites. • [H 4 tren] 4+ and [H 3 tren] 3+ cations adopt specific configurations. • A classification of the configurations of tren cations is proposed

Neutron scattering studies of the H2a-H2b and (H3-H4)2 histone complexes

International Nuclear Information System (INIS)

Carlson, R.D.

1982-01-01

Neutron scattering experiments have shown that both the (H3-H4) 2 and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4) 2 tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk, can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. 48 references, 12 figures, 1 table

Preparation of deuteriated adipic [2H2]-, [2H4]-, [2H6]-, and [2H8]-acids by use of Kolbe electrolysis as a key reaction

International Nuclear Information System (INIS)

Tashiro, Masahi; Tsuzuki, Hirohisa; Mataka, Shuntaro; Goto, Hideyuki; Ogasahara, Shoji

1990-01-01

Using Kolbe electrolysis of methyl hydrogen [ 2 H 0 ]-, [ 2 H 2 ]-, and [ 2 H 4 ]-succinates as a key reaction, adipic [2,2- 2 H 2 ]-, [2,3- 2 H 2 ]-, [2,2,3,3- 2 H 4 ]-, [2,3,4,5- 2 H 4 ]-, [2,3,5,5- 2 H 4 ]-, [2,2,3,3,5,5- 2 H 6 ]-, and [2,2,3,3,4,4,5,5- 2 H 8 ]-acids were prepared in high deuterium contents. (author)

Ethyl (E-2-(2,7-dimethyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-ylideneacetate

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Oulemda Bassou

2017-02-01

Full Text Available In the title compound, C14H14O5, the two heterocyclic rings are coplanar (r.m.s. deviation = 0.008 Å, with the largest deviation from the mean plane being 0.012 (1 Å. The mean plane through the acetate group is inclined slightly with respect to the oxopyrano[4,3-b]pyran-4-yl system, as indicated by the dihedral angle of 1.70 (7° between them. Two intramolecular hydrogen bonds, completing S(6 ring motifs, are observed in the molecule. In the crystal, molecules are linked by weak C—H...O hydrogen bonds involving the same acceptor atom, forming chains propagating along the c-axis direction and enclosing R21(6 ring motifs. The chains are linked via offset π–π interactions [intercentroid distance = 3.622 (1 Å], involving inversion-related oxopyrano[4,3-b]pyran-4-yl ring systems, forming slabs parallel to the bc plane.

Systems Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O at 25 deg C. Sistemy Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O pri 25 grad S

Energy Technology Data Exchange (ETDEWEB)

Skvortsov, V G; Sadetdinov, Sh V; Akimov, V M; Mitrasov, Yu N; Petrova, O V; Klopov, Yu N [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (Russian Federation) Universitet Druzhby Narodov, Moscow (Russian Federation)

1994-02-01

Phase equilibriums in the Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM[sub 2]B[sub 4]O[sub 7][center dot]nN[sub 2]H[sub 3]C[sub 2]H[sub 4]OH[center dot]XH[sub 2]O, where M=Li, Na with hydrazine ethanol. K[sub 2]B[sub 4]O[sub 7][center dot]4H[sub 2]O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods.

Cytoarchitecture of the human lateral occipital cortex: mapping of two extrastriate areas hOc4la and hOc4lp.

Science.gov (United States)

Malikovic, Aleksandar; Amunts, Katrin; Schleicher, Axel; Mohlberg, Hartmut; Kujovic, Milenko; Palomero-Gallagher, Nicola; Eickhoff, Simon B; Zilles, Karl

2016-05-01

The microstructural correlates of the functional segregation of the human lateral occipital cortex are largely unknown. Therefore, we analyzed the cytoarchitecture of this region in ten human post-mortem brains using an observer-independent and statistically testable parcellation method to define the position and extent of areas in the lateral occipital cortex. Two new cytoarchitectonic areas were found: an anterior area hOc4la and a posterior area hOc4lp. hOc4la was located behind the anterior occipital sulcus in rostral and ventral portions of this region where it occupies the anterior third of the middle and inferior lateral occipital gyri. hOc4lp was found in caudal and dorsal portions of this region where it extends along the superior and middle lateral occipital gyri. The cytoarchitectonic areas were registered to 3D reconstructions of the corresponding brains, which were subsequently spatially normalized to the Montreal Neurological Institute reference space. Continuous probabilistic maps of both areas based on the analysis of ten brains were generated to characterize their inter-subject variability in location and size. The maps of hOc4la and hOc4lp were then used as seeds for meta-analytic connectivity modeling and quantitative functional decoding to identify their co-activation patterns and assignment to functional domains. Convergent evidence from their location, topography, size, functional domains and connectivity indicates that hOc4la and hOc4lp are the potential anatomical correlates of the functionally defined lateral occipital areas LO-1 and LO-2.

1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H-one–4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] (1/1

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Krzysztof Lyczko

2013-01-01

Full Text Available The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different molecules. The smaller is known as antipyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one] and the larger is built up from two antypirine molecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4′-(propane-2,2-diylbis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one]. Intramolecular C—H...O hydrogen bonds occur in the latter molecule. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001.

Effects of helical GNF on improving the dehydrogenation behavior of LiMg(AlH{sub 4}){sub 3} and LiAlH{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Leo Hudson, M. Sterlin; Raghubanshi, Himanshu; Pukazhselvan, D.; Srivastava, O.N. [Hydrogen Energy Center, Department of Physics, Banaras Hindu University, Varanasi-221005 (India)

2010-03-15

The present paper reports the effect of graphitic nanofibres (GNFs) for improving the desorption kinetics of LiMg(AlH{sub 4}){sub 3} and LiAlH{sub 4}. LiMg(AlH{sub 4}){sub 3} has been synthesized by mechano-chemical metathesis reaction involving LiAlH{sub 4} and MgCl{sub 2}. The enhancement in dehydrogenation characteristics of LiMg(AlH{sub 4}){sub 3} has been shown to be higher when graphitic nanofibres (GNFs) were used as catalyst. Out of two different types of nanofibres namely planar graphitic nanofibre (PGNF) and helical graphitic nanofibre (HGNF), the latter has been found to act as better catalyst. We observed that helical morphology of fibres improves the desorption kinetics and decreases the desorption temperature of both LiMg(AlH{sub 4}){sub 3} and LiAlH{sub 4}. The desorption temperature for 8 mol% HGNF admixed LiAlH{sub 4} gets lowered from 159 C to 128 C with significantly faster kinetics. In 8 mol% HGNF admixed LiMg(AlH{sub 4}){sub 3} sample, the desorption temperature gets lowered from 105 C to {proportional_to}70 C. The activation energy calculated for the first step decomposition of LiAlH{sub 4} admixed with 8 mol% HGNF is {proportional_to}68 kJ/mol, where as that for pristine LiAlH{sub 4} it is 107 kJ/mol. The activation energy calculated for as synthesized LiMg(AlH{sub 4}){sub 3} is {proportional_to}66 kJ/mol. Since the first step decomposition of LiMg(AlH{sub 4}){sub 3} occurs during GNF admixing, the activation energy for initial step decomposition of GNF admixed LiMg(AlH{sub 4}){sub 3} could not be estimated. (author)

Crystal structure of (E-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-ylmethyl]-2H-benzo[b][1,4]thiazin-3(4H-one

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Nada Kheira Sebbar

2015-06-01

Full Text Available In the title compound, C25H20N2O2S, the dihydroisoxazole ring exhibits an envelope conformation with the methine atom being the flap, while the 1,4-thiazine ring displays a screw-boat conformation. The six-membered ring fused to the 1,4-thiazine ring makes dihedral angles of 63.04 (2 and 54.7 (2° with the mean planes through the five-membered heterocycle and the attached phenyl ring, respectively. The phenyl group connected to the 1,4-thiazine ring is disordered over two sites [major component = 0.57 (2]. The most prominent interactions in the crystal structure are C—H...O hydrogen bonds that link molecules, forming inversion dimers, and C—H...N hydrogen bonds that link the dimers into columns parallel to the b axis.

Synthesis of (3R)-3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra-hydro-9-[4-3H] carbazolepropanoic acid

International Nuclear Information System (INIS)

Pleiss, Ulrich; Radtke, Martin; Schmitt, Peter

1990-01-01

(3R)-3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-[4- 3 H]carbazolepropanoic acid ( [ 3 H]BAY u 3405) (5) was synthesized by catalytic reduction of (3R)-3-(4-fluorophenylsulfonamido)-4-oxo-1,2,3,4-tetrahydro-9-carbazolepropanoic acid (4) with tritium. The precursor (4) was prepared by esterification and following oxidation of BAY u 3405 with 2,3-dichloro-5,6-dicyano-p-benzoquinone. 3 H NMR analysis of the final product showed the formation of [4α- 3 H]BAY us 3405 and [4β- 3 H]BAY u 3405 in a ratio of 1:1. (author)

Electroweak corrections to H->ZZ/WW->4 leptons

International Nuclear Information System (INIS)

Bredenstein, A.; Denner, A.; Dittmaier, S.; Weber, M.M.

2006-01-01

We provide predictions for the decays H->ZZ->4-bar and H->WW->4-bar including the complete electroweak O(α) corrections and improvements by higher-order final-state radiation and two-loop corrections proportional to G μ 2 M H 4 . The gauge-boson resonances are described in the complex-mass scheme. We find corrections at the level of 1-8% for the partial widths

Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer.

Science.gov (United States)

Zhang, Mengying; Liu, Hejun; Gao, Yongxiang; Zhu, Zhongliang; Chen, Zijun; Zheng, Peiyi; Xue, Lu; Li, Jixi; Teng, Maikun; Niu, Liwen

2016-10-04

Histone chaperones are critical for guiding specific post-transcriptional modifications of histones, safeguarding the histone deposition (or disassociation) of nucleosome (dis)assembly, and regulating chromatin structures to change gene activities. HAT1-interacting factor 1 (Hif1) has been reported to be an H3-H4 chaperone and to be involved in telomeric silencing and nucleosome (dis)assembly. However, the structural basis for the interaction of Hif1 with histones remains unknown. Here, we report the complex structure of Hif1 binding to H2A-H2B for uncovering the chaperone specificities of Hif1 on binding to both the H2A-H2B dimer and the H3-H4 tetramer. Our findings reveal that Hif1 interacts with the H2A-H2B dimer and the H3-H4 tetramer via distinct mechanisms, suggesting that Hif1 is a pivotal scaffold on alternate binding of H2A-H2B and H3-H4. These specificities are conserved features of the Sim3-Hif1-NASP interrupted tetratricopeptide repeat proteins, which provide clues for investigating their potential roles in nucleosome (dis)assembly. Copyright © 2016 Elsevier Ltd. All rights reserved.

Complexing in (NH4)2SeO4-UO2SeO4 H2O system

International Nuclear Information System (INIS)

Serezhkina, L.B.

1994-01-01

Isotherm of solubility in the (NH 4 ) 2 SeO 4 -UO 2 SeO 4 -H 2 O system has been constructed at 25 deg C. (NH 4 ) 2 (UO 2 ) 2 (SeO 4 ) 3 x6H 2 O formation is established for the first time and certain its physicochemical properties are determined. Regularities of complexing in the R 2 Se) 4 -UO 2 SeO 4 -H 2 O systems, where R-univalent cation are under discussion. 6 refs.; 3 tabs

Synthesis and antimicrobial screening of novel 2-(5-(4-(allyloxy-3-methoxyphenyl-1H-pyrazol-3-ylphenols analogues of 2-(4-(allyloxy-3-methoxyphenyl-4H-chromen-4-ones

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Asha V. Chate

2012-01-01

Full Text Available A series of novel 2-(5-(4-(allyloxy-3-methoxyphenyl-1H-pyrazol-3-ylphenols derivatives have been synthesized via the ring opening of 2-(4-(allyloxy-3-methoxyphenyl-4H-chromen-4-ones in ethanol and hydrazine hydrate under reflux condition. The synthesized compounds were screened for antibacterial and antifungal activity against bacteria Staphylococcus aureus (MRSA E710 and Escherichia coli (ATCC 25922 and fungi Candida albicans and Aspergillus fumigates respectively. Some of the tested compounds showed significant antimicrobial activity. 1H NMR, IR, Mass spectral data and elemental analysis elucidated the structures of the all newly synthesized compounds.

Synthesis, physical-chemical properties of 2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioacetohydrazides

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O. A. Suhak

2017-04-01

Full Text Available Aim. Analysis of the scientific literature over the past decade has shown that large synthetic possibilities towards creating new and effective drug substances have heterocyclic compounds, in particular the derivatives of 1,2,4-triazole. 1,2,4-Triazole is a structural fragment of many synthetic drugs. The special interest cause ylidene hydrazides of 2-(5-R-1,2,4-triazole-3-ylthioacetic acids as potential biologically active compounds, among which highly effective medicines can be found. With the aim of finding new biologically active compounds the derivatives of 2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazides have been synthesized, their physical-chemical properties have been studied with the use of modern methods, namely elemental analysis, IR,1H-NMR spectroscopy, and their individuality by HPLC-MS. Materials and methods. N'-R1-еden-2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazides were received by adding aromatic (2-BrC6H4, 2,3-(OCH32C6H3, 3,5-(OCH32C6H3, 4-N(CH32C6H4, 3,4-F2C6H3, 2-NO2C6H4,4-NO2C6H4, 4-OHC6H4, 2-OHC6H4, 4-FC6H4, 2-CI-6-FC6H3 or heterocyclic (2-SC4H3, 5-NO2-2-C4H2O aldehyde to an equivalent amount of the appropriate 2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazide in the acetic acid medium. The study of physical-chemical properties of obtained compounds was carried out according to the methods outlined in SPU. Chromato-mass-spectral studies were performed on hazarding chromatograph Agilent 1260 Infinity HPLC equipped with mass spectrometer Agilent 6120 with ionization in electro-spray (ESI. Conclusion. This suggests the possibility for further study of biological action of the synthesized compounds. As a result of studies the N'-R1-eden-2-((4-R-5-(thiophene-2-ylmethyl-4H-1,2,4-triazole-3-ylthioaceticohydrazides have been synthesized and their physical-chemical properties have been studied.

Recent Syntheses of 1,2,3,4-Tetrahydroquinolines, 2,3-Dihydro-4(1H-quinolinones and 4(1H-Quinolinones using Domino Reactions

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Baskar Nammalwar

2013-12-01

Full Text Available A review of the recent literature is given focusing on synthetic approaches to 1,2,3,4-tetrahydroquinolines, 2,3-dihydro-4(1H-quinolinones and 4(1H-quinolinones using domino reactions. These syntheses involve: (1 reduction or oxidation followed by cyclization; (2 SNAr-terminated sequences; (3 acid-catalyzed ring closures or rearrangements; (4 high temperature cyclizations and (5 metal-promoted processes as well as several less thoroughly studied reactions. Each domino method is presented with a brief discussion of mechanism, scope, yields, simplicity and potential utility.

4-H NFPA Fluid Power Challenge

OpenAIRE

Bonnett, Erika D

2016-01-01

The 4-H NFPA Fluid Power Challenge partnered Purdue Polytechnic Institute and Indiana 4-H with the National Fluid Power Association and Center for Compact and Efficient Fluid Power to provide teams of Indiana youth in 6-8th grades with opportunity to learn about hydraulics, engineering design, and other STEM skills. This created an opportunity to give youth a learning experience with STEM through hands-on, experiential learning activities. Youth experienced a one day workshop in which they wo...

Ethyl (E)-2-(2,7-dimethyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-ylidene)acetate

OpenAIRE

Oulemda Bassou; Hakima Chicha; Latifa Bouissane; El Mostapha Rakib; Mohamed Saadi; Lahcen El Ammari

2017-01-01

In the title compound, C14H14O5, the two heterocyclic rings are coplanar (r.m.s. deviation = 0.008 Å), with the largest deviation from the mean plane being 0.012 (1) Å. The mean plane through the acetate group is inclined slightly with respect to the oxopyrano[4,3-b]pyran-4-yl system, as indicated by the dihedral angle of 1.70 (7)° between them. Two intramolecular hydrogen bonds, completing S(6) ring motifs, are observed in the molecule. In the crystal, molecules are linked by weak C—H...O hy...

Two-dimensional simulations of multi-hollow VHF SiH4/H2 plasma

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Li-Wen Su

2018-02-01

Full Text Available A triode multi-hollow VHF SiH4/H2 plasma (60 MHz was examined at a pressure of 20 Pa by two-dimensional simulations using the fluid model. In this study, we considered the effect of the rate constant of reaction, SiH3 + SiH3→SiH2 + SiH4, on the plasma characteristics. A typical VHF plasma of a high-electron density with a low-electron temperature was obtained between two discharge electrodes. Spatial profiles of SiH3+, SiH2+, SiH3- and SiH3 densities were similar to that of the electron density while the electron temperature had a maximum value near the two discharge electrodes. It was found that the SiH3 radical density did not decrease rapidly near the substrate and the electron temperature was lower than 1 eV, suggesting that the triode multi-hollow plasma source can provide high quality amorphous silicon with a high deposition rate.

Synthesis, crystal structure, thermal analysis and dielectric properties of Rb4(SO4)(HSO4)2(H3AsO4) compound

Science.gov (United States)

Belhaj Salah, M.; Nouiri, N.; Jaouadi, K.; Mhiri, T.; Zouari, N.

2018-01-01

A new inorganic Rb4(SO4)(HSO4)2(H3AsO4) compound was prepared. It was found to crystallize in the monoclinic system (P21 space group) with the following lattice parameters: a = 5868 (1) Å, b = 13,579(2) Å, c = 11,809 (3) Å and β = 94,737 (1)°. The structure is characterized by SO42-, HSO4- and H3AsO4 tetrahedra connected by hydrogen bridge to form two types of dimmer (H(8)S(2)O4- … S(1)O42- and H(12)S(2)O4- … H3AsO4). These dimmers are interconnected by both hydrogen bonds O(14)sbnd H(14)· · ·O(4) and O(15)sbnd H(15)· · ·O(2). They are also linked by the hydrogen bridge assured by the hydrogen atoms H(2), H(3) and H(4) of the H3AsO4 group to build the chain S(1)O4⋯H3AsO4 which are parallel to the ''a'',direction. The rubidium cations are coordinated by eight oxygen atoms with Rbsbnd O distance ranging from 2893(8) to 3.415(6) Å. The existence of Osbnd H and (S/As)sbnd O bonds in the structure at room temperature has been confirmed by IR and Raman spectroscopy in the frequency ranges 4000-400 cm-1and 1200 - 50 cm-1, respectively. Thermal analysis of Rb4(HSO4)(HSO4)2(H3AsO4) showed that the transformation to high temperature phase occurs at 407 K by one-step process. Thermal decomposition of the product takes place at much higher temperatures, with an onset of approximately 522 K. The first transition detected by differential scanning calorimetry (DSC) was also analyzed by dielectric and conductivity measurements using the impedance spectroscopy techniques. The conductivity in the high temperature phase at 428 K is 1.04 × 10-3 Ω-1 cm-1, and the activation energy for the proton transport is 0.36 eV. The conductivity relaxation parameters associated with the high disorder protonic conduction have been examined from analysis of the M"/M"max spectrum measured in a wide temperature range. Transport properties of this material appear to be due to the proton hopping mechanism. The obtained results show that this transition is protonic by nature.

Neutron scattering studies of the H2a-H2b and (H3-H4)/sub 2/ histone complexes

Energy Technology Data Exchange (ETDEWEB)

Carlson, R.D.

1982-01-01

Neutron scattering experiments have shown that both the (H3-H4)/sub 2/ and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4)/sub 2/ tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk, can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. 48 references, 12 figures, 1 table.

Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4: Calculated dehydrogenation enthalpy, including zero point energy, and the structure of the phonon spectra.

Science.gov (United States)

Marashdeh, Ali; Frankcombe, Terry J

2008-06-21

The dehydrogenation enthalpies of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski's direct method. The dehydrogenation of Ca(AlH(4))(2) is exothermic, indicating a metastable hydride. Calculations for CaAlH(5) including ZPE effects indicate that it is not stable enough for a hydrogen storage system operating near ambient conditions. The destabilized combination of LiBH(4) with CaH(2) is a promising system after ZPE-corrected enthalpy calculations. The calculations confirm that including ZPE effects in the harmonic approximation for the dehydrogenation of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) has a significant effect on the calculated reaction enthalpy. The contribution of ZPE to the dehydrogenation enthalpies of Ca(AlH(4))(2) and CaAlH(5) calculated by the direct method phonon analysis was compared to that calculated by the frozen-phonon method. The crystal structure of CaAlH(5) is presented in the more useful standard setting of P2(1)c symmetry and the phonon density of states of CaAlH(5), significantly different to other common complex metal hydrides, is rationalized.

Synthesis and crystal structure of new uranyl selenite(IV)-selenate(VI) [C5H14N][(UO2)3(SeO4)4(HSeO3)(H2O)](H2SeO3)(HSeO4)

International Nuclear Information System (INIS)

Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.; Kalenberg, V.

2006-01-01

Crystals of new uranyl selenite(IV)-selenate(VI) [C 5 H 14 N][(UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)](H 2 SeO 3 )(HSeO 4 ) are obtained by the method of evaporation from aqueous solutions. Compound has triclinic lattice, space group P1-bar, a=11.7068(9), b=14.8165(12), c=16.9766(15), α=73.899(6), β=76.221(7), γ=89.361(6) Deg, V=2743.0(4) A 3 , Z=2. Laminated complexes (UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)] 3- are the basis of the structure. [HSe(VI)O 4 ] - , [H 2 Se(IV)O 3 ] complexes and protonated methylbutylamine cations are disposed between layers [ru

3-Methyl-4-(3-methylphenyl-5-(2-pyridyl-4H-1,2,4-triazole

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Dun-Ru Zhu

2009-05-01

Full Text Available In the molecule of the title compound, C15H14N4, the triazole ring is oriented at dihedral angles of 30.8 (2 and 67.4 (2° with respect to the pyridine and benzene rings, respectively. The crystal structure is stabilized by C—H...N hydrogen-bonding interactions, forming chains of molecules along [overline{1}01].

An Optimized Synthesis, Molecular Structure and Characterization of Benzylic Derivatives of 1,2,4-Triazin-3,5(2H,4H-dione

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Long-Chih Hwang

2017-11-01

Full Text Available 4-Benzyl-1,2,4-triazin-3,5(2H,4H-dione (3-benzyl-6-azauracil, 2, and 2,4-dibenzyl-1,2,4-triazin-3,5(2H,4H-dione (1,3-dibenzyl-6-azauracil, 3 were synthesized by the reaction of 1,2,4-triazin-3,5(2H,4H-dione (6-azauracil, 1 with benzyl bromide and potassium carbonate in dry acetone via the 18-crown-6-ether catalysis. In these reaction methods, we developed more convenient and efficient methodologies to afford compounds 2 and 3 in good yields. These compounds were characterized by 1H- and 13C-NMR, MS spectrum, IR spectroscopy and elemental analysis. The structure of 2 was verified by 2D-NMR measurements, including gHSQC and gHMBC measurements. A single-crystal X-ray diffraction experiment indicated that compound 3, with the molecular formula C17H15N3O2, crystallized from a CH3OH/CH2Cl2 diffusion solvent system in a monoclinic space group P21/c with a = 13.7844(13, b = 8.5691(8, c = 13.0527(12 Å, β = 105.961(2°, V = 1482.3(2 Å3, Z = 4, resulting in a density Dcalc of 1.314 g/cm3. The crystal structure of compound 3 is tightly stabilized by contact with five other molecules from the six short contacts formed by intermolecular C−O···H−Car, C−H···Car, and weakly π···π stacking interactions. The dihedral angle 31.90° is formed by the mean planes of the benzene rings of the N-2 and N-4 benzyl groups.

Poly[bis[μ-4-(4-carboxyphenoxybenzoato](μ-4,4′-oxydibenzoatobis[μ-3-(pyridin-4-yl-5-(pyridin-3-yl-1H-1,2,4-triazole]dicadmium(II

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Xiao-Jin Qi

2016-07-01

Full Text Available Three kinds of bridging ligands, 4,4′-oxydibenzoate, 4-(4-carboxyphenoxybenzoate and 3-(pyridin-4-yl-5-(pyridin-3-yl-1H-1,2,4-triazole, link the CdII cations to form the title polymeric complex, [Cd2(C14H8O5(C14H9O52(C12H9N52]n, in which each CdII cation is in a distorted N2O5 pentagonal–bipyramidal coordination geometry. The 4,4′-oxydibenzoate dianion exhibits point group symmetry 2, with the central O atom located on a twofold rotation axis. Classical N—H...O, O—H...N hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules into a three-dimensional supramolecular architecture. A solvent-accessible void of 53 (2 Å3 is observed, but no solvent molecule could reasonably located there.

[6-chloro-3-pyridylmethyl-3H]neonicotinoids as high-affinity radioligands for the nicotinic acetylcholine receptor: preparation using NaB3H4 and LiB3H4

International Nuclear Information System (INIS)

Latli, Bachir; Casida, J.E.

1996-01-01

NaB 3 H 4 and LiB 3 H 4 at 78% and 97% isotopic enrichments, respectively, were used in the synthesis of 3 H-labeled 1-(6-chloro-3-pyridyl)-methyl-2-nitromethyleneimidazolidine (CH-IMI) and N'-[(6-chloro-3-pyridyl)methyl]-n''-cyano-n'-methylacetamidine (acetamiprid) (two very potent insecticides) and of 1-(6-chloro-3-pyridyl)methyl-2-iminoimidazolidine (desnitro-IMI) (a metabolite of the commercial insecticides imidacloprid). 6-Chloronicotinoyl chloride was treated with either NaB 3 H 4 in methanol or LiB 3 H 4 in tetrahydrofuran and the resulting alcohol transformed to 2-chloro-5-chloromethylpyridine, which was then coupled to N-cyano-N'-methylacetamidine to give [ 3 H] acetamiprid (45 Ci/mmol). 2-Chloro-5-chloro[ 3 H]methylpyridine was also reacted with ethylenediamine and the product was either refluxed in absolute ethanol with 1,1-bis(methylthio)-2-nitro-ethylene to provide [ 3 H]CH-IMI or reacted in toluene with a solution of cyanogen bromide to produce [ 3 H] desnitro-IMI (each 55 Ci/mmol. (author)

{1-[(3,5-Dimethyl-4H-1,2,4-triazol-4-ylimino]ethyl}ferrocene

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Mao-Ping Song

2008-10-01

Full Text Available In the title compound, [Fe(C5H5(C11H13N4], the triazolyl and Cp ring form a dihedral angle of 76.6 (3°. In the crystal structure, there are both intra- and intermolecular C—H...π interactions, forming a one-dimensional chain structure along [010].

Synthesis of [2,4-3H] 17β-dihydroequilin sulfate

International Nuclear Information System (INIS)

Bhavnani, B.R.

1994-01-01

[2,4- 3 H] 17β-dihydroequilin-3-sulfate ammonium salt suitable for in vivo pharmacokinetic studies was synthesized from [2,4- 3 H] equilin. Sulfation of [2,4- 3 H] equilin with pyridine-chlorosulfonic acid mixture gave in high yields [2,4- 3 H] equilin sulfate, which was then reduced with sodium borohydride to yield [2,4- 3 H] 17β-dihydroequilin sulfate. The reduction was sterospecific and no 17α-reduced products were formed. (author)

Co3(PO4)2·4H2O

Science.gov (United States)

Lee, Young Hoon; Clegg, Jack K.; Lindoy, Leonard F.; Lu, G. Q. Max; Park, Yu-Chul; Kim, Yang

2008-01-01

Single crystals of Co3(PO4)2·4H2O, tricobalt(II) bis­[ortho­phosphate(V)] tetra­hydrate, were obtained under hydro­thermal conditions. The title compound is isotypic with its zinc analogue Zn3(PO4)2·4H2O (mineral name hopeite) and contains two independent Co2+ cations. One Co2+ cation exhibits a slightly distorted tetra­hedral coordination, while the second, located on a mirror plane, has a distorted octa­hedral coordination environment. The tetra­hedrally coordinated Co2+ is bonded to four O atoms of four PO4 3− anions, whereas the six-coordinate Co2+ is cis-bonded to two phosphate groups and to four O atoms of four water mol­ecules (two of which are located on mirror planes), forming a framework structure. In addition, hydrogen bonds of the type O—H⋯O are present throughout the crystal structure. PMID:21200978

Solvent influence on the photophysical properties of 4-(2-Oxo-2H-benzo[h]chromen-4-ylmethoxy)-benzaldehyde

Science.gov (United States)

Pramod, A. G.; Renuka, C. G.; Shivashankar, K.; Boregowda, P.; Nadaf, Y. F.

2018-05-01

Steady-state absorption and the fluorescence properties of the synthesized Benzofuran derivatives were studied. Absorption and fluorescence spectra of 4-(2-Oxo-2H-benzo[h]chromen-4-ylm ethoxy)-benzaldehyde (4-OBCM) have been recorded at room temperature in extensive variety of solvents of various polarities. 4-OBCM Fluorescence band maxima of the solvents are small amount spectral shifted to hypsochromic when the solvent polarity will increase, compared to absorption band under the identical circumstance. This suggests an increase in dipole moment of excited state compared to ground state. The ground-state dipole moment of 4-OBCM was found from quantum mechanical methods and the excited state dipole moment of 4-OBCM was evaluated from Lippert-Mataga Bakhshiev's, Kawski-Chamma-Viallet's and Reichardt conditions by methods for solvatochromic shift. Kamlet-Taft coefficients which affect this absorption profiles.

Nido-Carborane building-block reagents. 2. Bulky-substituent (alkyl)2C2B4H6 derivatives and (C6H5)2C2B4H6: synthesis and properties

International Nuclear Information System (INIS)

Boyter, H.A. Jr.; Grimes, R.N.

1988-01-01

The preparation and chemistry of nido-2,3-R 2 C 2 C 2 B 4 H 6 carboranes in which R is n-butyl, isopentyl, n-hexyl, and phenyl was investigated in order to further assess the steric and electronic influence of the R groups on the properties of the nido-C 2 B 4 cage, especially with respect to metal complexation at the C 2 B 3 face and metal-promoted oxidative fusion. The three dialkyl derivatives were prepared from the corresponding dialkylacetylenes via reaction with B 5 H 9 and triethylamine, but the diphenyl compound could not be prepared in this manner and was obtained instead in a thermal reaction of B 5 H 9 with diphenylacetylene in the absence of amine. All four carboranes are readily bridge-deprotonated by NaH in THF, and the anions of the dialkyl species, on treatment with FeCl 2 and air oxidation, generate the respective R 4 C 4 B 8 H 8 carborane fusion products were R = n-C 4 H 9 , i-C 5 H 11 or n-C 6 H 13 . The diphenylcarborane anion Ph 2 C 2 B 4 H 5 - did not form detectable metal complexes with Fe 2+ , Co 2+ , or Ni 2+ , and no evidence of a Ph 4 C 4 B 8 H 8 fusion product has been found. Treatment of Ph 2 C 2 B 4 H 6 with Cr(CO) 6 did not lead to metal coordination of the phenyl rings, unlike (PhCH 2 ) 2 C 2 B 4 H 6 , which had previously been shown to form mono- and bis(tricarbonylchromium) complexes. However, the reaction of Ph 2 C 2 B 4 H 5 - , CoCl 2 , and (PhPCH 2 ) 2 did give 1,1-(Ph 2 PCH 2 ) 2 -1-Cl-1,2,3-Co(Ph 2 C 2 B 4 H 4 ), the only case in which metal complexation of the diphenylcarborane was observed. 14 references, 3 figures, 3 tables

Synthesis, physical and chemical properties, antihypoxic activity of some 5-[((5-(adamantane-1-yl-4-R-4H-1,2,4-triazole-3-ylthiomethyl]-N-R1-1,3,4-thiadiazole-2-amines and 5-[((5-(adamantane-1-yl-4-R-4H-1,2,4-triazole-3-ylthiomethyl]-4-R1-4H-1,2,4-t

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V. M. Odyntsova

2018-03-01

Full Text Available Today, an increase of natural and technogenic situations leads to the disorders of the central nervous system, functional-metabolic processes, vascular diseases, in particular, acute cerebral blood flow disorders. In addition, the changes occurring on the molecular and cellular levels are in the basis of the functional violations of individual systems and the organism as a whole. Hypoxia not only complicates the disease course, but in most cases, determines its outcome. The important role in the fight against hypoxia belongs to antioxidants, which improve the circulating oxygen utilization by the body, reduce its need for the organs and tissues, which is not only expedient but necessary for the treatment of many acute and chronic pathological processes. So, the frequency of the hypoxic states and a wide range of factors causing them determine the relevance of new ways and methods finding to overcome the oxygen deficiency. The aim of this work is the purposeful search of some 5-[((5-(adamantane-1-yl-4-R-4H-1,2,4-triazole-3-ylthiomethyl]-N-R1-1,3,4-thiadiazole-2-amines and 5-[((5-(adamantane-1-yl-4-R-4H-1,2,4-triazole-3-ylthiomethyl]-4-R1-4H-1,2,4-triazole-3-thiols, the study of their physical and chemical properties and pharmacological screening of the antihypoxic activity of the obtained compounds. Materials and methods. The study of physical and chemical properties was conducted on certified and licensed modern equipment. Antihypoxic activity was studied during the modeling process of hypoxia with hypercapnia. Mexidol was used as a comparison drug in studies at a dose of 100 mg/kg. Results. As the result of the study, it was found that the synthesized compounds and the comparison drug influenced on rats’ life span differently. Compounds, the antihypoxic activity of which exceeded control have been discovered, and others’ were at the level of Mexidol. A number of compounds showed a somewhat less activity in comparison with control, and two

H- ion sources for CERN's Linac4

Science.gov (United States)

Lettry, J.; Aguglia, D.; Coutron, Y.; Chaudet, E.; Dallocchio, A.; Gil Flores, J.; Hansen, J.; Mahner, E.; Mathot, S.; Mattei, S.; Midttun, O.; Moyret, P.; Nisbet, D.; O'Neil, M.; Paoluzzi, M.; Pasquino, C.; Pereira, H.; Arias, J. Sanchez; Schmitzer, C.; Scrivens, R.; Steyaert, D.

2013-02-01

The specifications set to the Linac4 ion source are: H- ion pulses of 0.5 ms duration, 80 mA intensity and 45 keV energy within a normalized emittance of 0.25 mmmrad RMS at a repetition rate of 2 Hz. In 2010, during the commissioning of a prototype based on H- production from the plasma volume, it was observed that the powerful co-extracted electron beam inherent to this type of ion source could destroy its electron beam dump well before reaching nominal parameters. However, the same source was able to provide 80 mA of protons mixed with a small fraction of H2+ and H3+ molecular ions. The commissioning of the radio frequency quadrupole accelerator (RFQ), beam chopper and H- beam diagnostics of the Linac4 are scheduled for 2012 and its final installation in the underground building is to start in 2013. Therefore, a crash program was launched in 2010 and reviewed in 2011 aiming at keeping the original Linac4 schedule with the following deliverables: Design and production of a volume ion source prototype suitable for 20-30 mA H- and 80 mA proton pulses at 45 keV by mid-2012. This first prototype will be dedicated to the commissioning of the low energy components of the Linac4. Design and production of a second prototype suitable for 40-50 mA H- based on an external RF solenoid plasma heating and cesiated-surface production mechanism in 2013 and a third prototype based on BNL's Magnetron aiming at reliable 2 Hz and 80 mA H- operations in 2014. In order to ease the future maintenance and allow operation with Ion sources based on three different production principles, an ion source "front end" providing alignment features, pulsed gas injection, pumping units, beam tuning capabilities and pulsed bipolar high voltage acceleration was designed and is being produced. This paper describes the progress of the Linac4 ion source program, the design of the Front end and first ion source prototype. Preliminary results of the summer 2012 commissioning are presented. The outlook on

Ferroelectric phase transition in hydrogen-bonded 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4

CERN Document Server

Czapla, Z; Waskowska, A

2003-01-01

A new crystal of 2-aminopyridine phosphate (NC sub 4 H sub 4 NH sub 2)centre dot H sub 3 PO sub 4 has been grown and its x-ray structure and physical properties were studied. At room temperature the crystals are monoclinic, space group C2/c. The flat 2-aminopyridine cations are hydrogen bonded to the anionic [PO sub 4 ] groups. The interesting feature of the crystal structure is the three-dimensional network of hydrogen bonds including, among others, two strong, symmetrical O centre dot centre dot centre dot H, H centre dot centre dot centre dot O interactions with disordered proton locations. Symmetrically related PO sub 4 anions linked through these protons form infinite (PO sub 4) subinfinity chains along the crystal a-axis. The anomalies in the temperature dependence of the electric permittivity showed that the crystal undergoes ferroelectric phase transition at T sub c = 103.5 K. The spontaneous polarization takes place along the crystal a-axis, being parallel to the chains of the hydrogen-bonded PO sub ...

The singlet-triplet energy gap in divalent three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn AND Pb

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E. Vessally

2009-08-01

Full Text Available Total energy gaps, ∆Et–s, enthalpy gaps, ∆Ht–s, and Gibbs free energy gaps, ∆Gt–s, between singlet (s and triplet (t states were calculated for three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn and Pb at B3LYP/6-311++G**. The singlet-triplet free energy gaps, ∆Gt–s, for C2H2M (M = C, Si, Ge, Sn and Pb are found to be increased in the order: C2H2Si > C2H2C > C2H2Ge > C2H2Sn > C2H2Pb. The ∆Gt–s of C4H4M are found to be increased in the order: C4H4Pb > C4H4Sn > C4H4Ge > C4H4Si > C4H4C. Also, the ∆Gt–s of C6H6M are determined in the order: C6H6Pb > C6H6Ge ≥ C6H6Sn > C6H6Si > C6H6C. The most stable conformers of C2H2M, C4H4M and C6H6M are proposed for both the singlet and triplet states. Nuclear independent chemical shifts (NICS calculations were carried out for determination of aromatic character. The geometrical parameters are calculated and discussed.

Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

International Nuclear Information System (INIS)

Adams, R.D.; Golembski, N.M.

1979-01-01

The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

Factors Affecting Teen Involvement in Pennsylvania 4-H Programming

Science.gov (United States)

Gill, Bart E.; Ewing, John C.; Bruce, Jacklyn A.

2010-01-01

The study reported here determined the factors that affect teen involvement in 4-H programming. The design of the study was descriptive and correlational in nature. Using a purposive sampling procedure, a survey questionnaire was distributed to all (N=214) 4-H members attending the 4-H State Leadership Conference. The major findings of the study…

Expression of hPNAS-4 Radiosensitizes Lewis Lung Cancer

International Nuclear Information System (INIS)

Zeng Hui; Yuan Zhu; Zhu Hong; Li Lei; Shi Huashan; Wang Zi; Fan Yu; Deng Qian; Zeng Jianshuang; He Yinbo; Xiao Jianghong; Li Zhiping

2012-01-01

Purpose: This study aimed to transfer the hPNAS-4 gene, a novel apoptosis-related human gene, into Lewis lung cancer (LL2) and observe its radiosensitive effect on radiation therapy in vitro and in vivo. Methods and Materials: The hPNAS-4 gene was transfected into LL2 cells, and its expression was detected via western blot. Colony formation assay and flow cytometry were used to detect the growth and apoptosis of cells treated with irradiation/PNAS-4 in vitro. The hPNAS-4 gene was transferred into LL2-bearing mice through tail vein injection of the liposome/gene complex. The tumor volumes were recorded after radiation therapy. Proliferating cell nuclear antigen (PCNA) immunohistochemistry staining and terminal deoxynucleotidyl transferase-mediated dUTP nick end labeling (TUNEL) assay were performed to detect the tumor cell growth and apoptosis in vivo. Results: The hPNAS-4 gene was successfully transferred into LL2 cells and tumor tissue, and its overexpressions were confirmed via western blot analysis. Compared with the control, empty plasmid, hPNAS-4, radiation, and empty plasmid plus radiation groups, the hPNAS-4 plus radiation group more significantly inhibited growth and enhanced apoptosis of LL2 cells in vitro and in vivo (P<.05). Conclusions: The hPNAS-4 gene was successfully transferred into LL2 cells and tumor tissue and was expressed in both LL2 cell and tumor tissue. The hPNAS-4 gene therapy significantly enhanced growth inhibition and apoptosis of LL2 tumor cells by radiation therapy in vitro and in vivo. Therefore, it may be a potential radiosensitive treatment of radiation therapy for lung cancer.

N-(2-Chlorophenyl-2-({5-[4-(methylsulfanylbenzyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanylacetamide

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2011-08-01

Full Text Available In the title molecule, C24H21ClN4OS2, the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9, 86.66 (9 and 82.70 (10° with the chloro-substituted benzene ring, the methylsulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, molecules are linked into sheets parallel to (100 by intermolecular N—H...N and weak C—H...O hydrogen bonds.

Diaquabis[2,6-bis(4H-1,2,4-triazol-4-ylpyridine-κN2]bis(selenocyanato-κNcobalt(II

Directory of Open Access Journals (Sweden)

Yuan-Yuan Liu

2012-08-01

Full Text Available In the title compound, [Co(NCSe2(C9H7N72(H2O2], the Co2+ cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligands and two water molecules within a slightly distorted N4O2 octahedron. The asymmetric unit consists of one Co2+ cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to the bc plane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

7 CFR 8.9 - Use in 4-H fund raising.

Science.gov (United States)

2010-01-01

... Office of the Secretary of Agriculture 4-H CLUB NAME AND EMBLEM § 8.9 Use in 4-H fund raising. (a) Fund-raising programs using the 4-H Name or Emblem may be carried out for specific educational purposes. Such fund-raising programs and use of the 4-H name and emblem on, or associated with, products, and services...

Utilizing 4-H in Afterschool Settings: Two Approaches for Integration

Directory of Open Access Journals (Sweden)

Rachel Rudd

2013-03-01

Full Text Available As our communities grow and change, afterschool programs represent an avenue to bring resources to populations which would otherwise not be available to them. Combining 4-H with the afterschool environment can be beneficial in supporting and raising the quality of afterschool programs being offered. This article explores the benefits and challenges of two approaches of implementing 4-H programming in afterschool settings: the 4-H managed program that is created and run solely by 4-H faculty and staff and the 4-H afterschool partnerships which are facilitated in partnership with existing afterschool programs. Regardless of the approach, combining 4-H with afterschool programs can strengthen well established programs and can enhance the quality of all afterschool programs.

Two novel Pb(II) coordination polymers (CPs) based on 4-(4-oxopyridin-1(4H)-yl) and 3-(4-oxopyridin-1(4H)-yl) phthalic acid: Band gaps, structures, and their photoelectrocatalytic properties in CO2-saturated system

Science.gov (United States)

Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Lin, Jian Hua

2018-05-01

Based on 4-(4-oxopyridin-1(4H)-yl) phthalic acid (H2L1) and 3-(4-oxopyridin-1(4H)-yl) phthalic acid (H2L2), two novel Pb(II) coordination polymers (CPs) formulated as [Pb4Cl4·(L1)2·H2O]n (CP 1), [Pb3Cl4·L2·H2O]n (CP 2) were solvothermally synthesized and characterized by single-crystal X-ray diffraction. The two novel Pb(II) CPs (CPs 1 and 2) possessed different structures. Density functional theory (DFT) calculations revealed the two CPs had different band structures yet the characteristic of semiconductors in common. Their valence band (VB) and conduction band (CB) positions were determined by Mott-Schottky and UV-visible diffuse reflectance analyses. The photoelectrocatalytic performance of the two CPs towards CO2 reduction were tested by photocurrent responses at various applied potentials. And the E =-1.4 V vs SCE (-0.74 V vs NHE) was selected as the required potential according to the regulation of photocurrent responses at various tested potentials in CO2-saturated system. The photoelectrocatalytic performance of CP 2 was superior to that of CP 1 owing to the well-matched CB position of CP 2 and CO2 reduction potentials at the required potential of -1.4 V vs SCE (-0.74 V vs NHE). In addition, the photoelectrolytic experiment were performed 1 h in the CO2-saturated 0.2 M Na2SO4 solution at the required potential of -1.4 V vs SCE (-0.74 V vs NHE) with and without illumination, and we initially demonstrated the influence of visible light in the CO2-saturated photoelectrocatalytic measurement system and the reason of stability in 1 h chronoamperometry.

New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

International Nuclear Information System (INIS)

Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-01-01

Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

Compression of glycolide-h4 to 6GPa

DEFF Research Database (Denmark)

Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.

2017-01-01

This study details the structural characterization of glycolide-h4 as a function of pressure to 6GPa using neutron powder diffraction on the PEARL instrument at ISIS Neutron and Muon source. Glycolide-h4, rather than its deuterated isotopologue, was used in this study due to the difficulty...... of deuteration. The low background afforded by zirconia-toughened alumina anvils nevertheless enabled the collection of data suitable for structural analysis to be obtained to a pressure of 5GPa. Glycolide-h4 undergoes a reconstructive phase transition at 0.15GPa to a previously identified form (II), which...

The H.264/MPEG4 advanced video coding

Science.gov (United States)

Gromek, Artur

2009-06-01

H.264/MPEG4-AVC is the newest video coding standard recommended by International Telecommunication Union - Telecommunication Standardization Section (ITU-T) and the ISO/IEC Moving Picture Expert Group (MPEG). The H.264/MPEG4-AVC has recently become leading standard for generic audiovisual services, since deployment for digital television. Nowadays is commonly used in wide range of video application ranging like mobile services, videoconferencing, IPTV, HDTV, video storage and many more. In this article, author briefly describes the technology applied in the H.264/MPEG4-AVC video coding standard, the way of real-time implementation and the way of future development.

Search for 4H, 5H and 6H nuclei in the 11B-induced reaction on 9Be

International Nuclear Information System (INIS)

Belozerov, A.V.; Borcea, C.; Dlouhy, Z.

1985-01-01

In the 11 B(88.0 MeV)+ 9 Be reaction the energy spectra of the 14 O, 15 O and 16 O nuclei have been measured to obtain some information about their partners in the exit channel - the neutron-rich hydrogen isotopes 4 H, 5 H and 6 H. The unbound levels in the 4 H and 6 H systems have been observed at excitation energies of 3.5 +- 0.5 MeV (GITA approximately 1 MeV) and 2.6 +- 0.5 MeV (GITA=1.5 +- 0.3 MeV), respectively

3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H)-thione.

Science.gov (United States)

Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Pachuta-Stec, Anna; Stańczuk, Andrzej

2013-02-01

The title compound, C(11)H(13)N(3)S, exists in the 5-thioxo tautomeric form. The benzene ring exhibits disorder with a refined ratio of 0.77 (2):0.23 (2) for components A and B with a common bridgehead C atom. The 1,2,4-triazole ring is essentially planar, with a maximum deviation of 0.002 (3) Å for the benzyl-substituted C atom, and forms dihedral angles of 88.94 (18) and 86.56 (49)° with the benzene rings of components A and B, respectively. The angle between the plane of the ethyl chain and the mean plane of 1,2,4-triazole ring is 88.55 (15)° and this conformation is stabilized by an intra-molecular C-H⋯S contact. In the crystal, pairs of N-H⋯S hydrogen bonds link mol-ecules into inversion dimers. π-π inter-actions are observed between the triazole and benzene rings, with centroid-centroid separations of 3.547 (4) and 3.544 (12) Å for components A and B, and slippages of 0.49 (6) and 0.58 (15) Å, respectively.

Regioselective Synthesis of 3-Amino-4-arylisoxazol-5(4H)-ones

Energy Technology Data Exchange (ETDEWEB)

Shin, Dong Won; Lee, Ihl Young Choi; Lim, Hee Jong [Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of)

2010-11-15

We have demonstrated a new and efficient method for the synthesis of 3-substituted aminoisoxazoles from readily available thiocarbamoyl esters. Mercury (II) chloride appeared to be a Lewis acid of choice among the metals tested in this cyclodesulfurization reaction. Application of this method for the synthesis of substituted aminopyrazoles is now under investigation in our laboratory. 3-Aminoisoxazol-5(4H)-one is an important building block of many biologically active compounds including antimicrobial and antioxidant, K channel opener, and kinase inhibitors. Besides, it could be transformed to fused heterocyclic compounds such as indoles, imidazopyridines, and isoxazolopyrimidines. Condensation reaction of α-cyanoacetate with hydroxylamine was a well known method to access either 3-aminoisoxazol-5(4H)-one or isomeric 5-aminoisoxazol-3(4H)-one depending upon condition. For instance, reaction under the neutral condition provided 3-aminoisoxazolone isomer via acetamidoxime intermediate, whereas 5-aminoisoxazolone isomer was obtained under the alkaline condition.

Regioselective Synthesis of 3-Amino-4-arylisoxazol-5(4H)-ones

International Nuclear Information System (INIS)

Shin, Dong Won; Lee, Ihl Young Choi; Lim, Hee Jong

2010-01-01

We have demonstrated a new and efficient method for the synthesis of 3-substituted aminoisoxazoles from readily available thiocarbamoyl esters. Mercury (II) chloride appeared to be a Lewis acid of choice among the metals tested in this cyclodesulfurization reaction. Application of this method for the synthesis of substituted aminopyrazoles is now under investigation in our laboratory. 3-Aminoisoxazol-5(4H)-one is an important building block of many biologically active compounds including antimicrobial and antioxidant, K channel opener, and kinase inhibitors. Besides, it could be transformed to fused heterocyclic compounds such as indoles, imidazopyridines, and isoxazolopyrimidines. Condensation reaction of α-cyanoacetate with hydroxylamine was a well known method to access either 3-aminoisoxazol-5(4H)-one or isomeric 5-aminoisoxazol-3(4H)-one depending upon condition. For instance, reaction under the neutral condition provided 3-aminoisoxazolone isomer via acetamidoxime intermediate, whereas 5-aminoisoxazolone isomer was obtained under the alkaline condition

Hydrothermal synthesis and crystal structure of the Ni2(C4H4N2)(V4O12)(H2O)2 and Ni3(C4H4N2)3(V8O23) inorganic-organic hybrid compounds. Thermal, spectroscopic and magnetic studies of the hydrated phase

International Nuclear Information System (INIS)

Larrea, Edurne S.; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

2007-01-01

Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2 , 1, and Ni 3 (C 4 H 4 N 2 ) 3 (V 8 O 23 ), 2, have been synthesized using mild hydrothermal conditions at 170 deg. C under autogenous pressure. Both phases crystallize in the P-1 triclinic space group, with the unit-cell parameters, a=7.437(7), b=7.571(3), c=7.564(4) A, α=65.64(4), β=76.09(4), γ=86.25(3) o for 1 and a=8.566(2), b=9.117(2), c=12.619(3) A, α=71.05(2), β=83.48(4), γ=61.32(3) o for 2, being Z=2 for both compounds. The crystal structure of the three-dimensional 1 is constructed from layers linked between them through the pyrazine molecules. The sheets are formed by edge-shared [Ni 2 O 6 (H 2 O) 2 N 2 ] nickel(II) dimers octahedra and rings composed by four [V 4 O 12 ] vanadium(V) tetrahedra linked through vertices. The crystal structure of 2 is formed from vertex shared [VO 4 ] tetrahedra that give rise to twelve member rings. [NiO 4 (C 4 H 4 N 2 ) 2 ] ∞ chains, resulting from [NiO 4 N 2 ] octahedra and pyrazine molecules, give rise to a 3D skeleton when connecting to [VO 4 ] tetrahedra. Diffuse reflectance measurements of 1 indicate a slightly distorted octahedral geometry with values of Dq=880, B=980 and C=2700 cm -1 . Magnetic measurements of 1, carried out in the 5.0-300 K range, indicate the existence of antiferromagnetic couplings with a Neel temperature near to 38 K. - Graphical abstract: Crystal structure of a sheet of Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2

The effects of CO addition on the autoignition of H-2, CH4 and CH4/H-2 fuels at high pressure in an RCM

NARCIS (Netherlands)

Gersen, Sander; Darmeveil, Harry; Levinsky, Howard

2012-01-01

Autoignition delay times of stoichiometric and fuel-lean (phi = 0.5) H-2, H-2/CO, CH4, CH4/CO, CH4/H-2 and CH4/CO/H-2 mixtures have been measured in an Rapid Compression Machine at pressures ranging from 20 to 80 bar and in the temperature range 900-1100K. The effects of CO addition on the ignition

H2 dilution effect in the Cat-CVD processes of the SiH4/NH3 system

International Nuclear Information System (INIS)

Ansari, S.G.; Umemoto, Hironobu; Morimoto, Takashi; Yoneyama, Koji; Izumi, Akira; Masuda, Atsushi; Matsumura, Hideki

2006-01-01

Gas-phase diagnostics in the catalytic chemical vapor deposition processes of the SiH 4 /NH 3 /H 2 system were carried out to examine the effect of H 2 dilution. The decomposition efficiency of NH 3 showed a sharp decrease with the introduction of a small amount of SiH 4 , but this decrease was recovered by the addition of H 2 when the NH 3 pressure was low. On the other hand, at higher NH 3 pressures, the decomposition efficiency showed a minor dependence on the H 2 partial pressure. The addition of SiH 4 to the NH 3 system decreases the H-atom density by one order of magnitude, but this decrease is also recovered by H 2 addition. H atoms produced from H 2 must re-activate the catalyzer surfaces poisoned by SiH 4 when the NH 3 pressure is low

Semiconducting perovskites (2-XC6H4C2H4NH3)2SnI4 (X = F, Cl, Br): steric interaction between the organic and inorganic layers.

Science.gov (United States)

Xu, Zhengtao; Mitzi, David B; Dimitrakopoulos, Christos D; Maxcy, Karen R

2003-03-24

Two new semiconducting hybrid perovskites based on 2-substituted phenethylammonium cations, (2-XC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) (X = Br, Cl), are characterized and compared with the previously reported X = F compound, with a focus on the steric interaction between the organic and inorganic components. The crystal structure of (2-ClC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) is solved in a disordered subcell [C2/m, a = 33.781(7) A, b = 6.178(1) A, c = 6.190(1) A, beta = 90.42(3)(o), and Z = 2]. The structure is similar to the known (2-FC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) structure with regard to both the conformation of the organic cations and the bonding features of the inorganic sheet. The (2-BrC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) system adopts a fully ordered monoclinic cell [P2(1)/c, a = 18.540(2) A, b = 8.3443(7) A, c = 8.7795(7) A, beta = 93.039(1)(o), and Z = 2]. The organic cation adopts the anti conformation, instead of the gauche conformation observed in the X = F and Cl compounds, apparently because of the need to accommodate the additional volume of the bromo group. The steric effect of the bromo group also impacts the perovskite sheet, causing notable distortions, such as a compressed Sn-I-Sn bond angle (148.7(o), as compared with the average values of 153.3 and 154.8(o) for the fluoro and chloro compounds, respectively). The optical absorption features a substantial blue shift (lowest exciton peak: 557 nm, 2.23 eV) relative to the spectra of the fluoro and chloro compounds (588 and 586 nm, respectively). Also presented are transport properties for thin-film field-effect transistors (TFTs) based on spin-coated films of the two hybrid semiconductors.

4-{3-[Hydroxy(phenylmethyl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl}benzenesulfonamide

Directory of Open Access Journals (Sweden)

Mehmet Akkurt

2010-04-01

Full Text Available In the title compound, C15H14N4O3S2, the hydroxy group is disordered over two positions with occupancies of 0.619 (5 and 0.381 (5. The benzene ring attached to the heterocycle makes a dihedral angle of 86.92 (9° with respect to the best plane through the five-membered ring. The crystal packing is stabilized by intermolecular O—H...O, N—H...S, N—H...N, C—H...O and C—H...N hydrogen bonds, and N—H...π and C—H...π interactions.

PHASE CHANGES ON 4H AND 6H SIC AT HIGH TEMPERATURE OXIDATION

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Jan Setiawan

2016-10-01

Full Text Available ABSTRACT PHASE CHANGES ON 4H AND 6H SIC AT HIGH TEMPERATURE OXIDATION. The oxidation on two silicon carbide contain 6H phase and contains 6H and 4H phases has been done.  Silicon carbide is ceramic non-oxide with excellent properties that potentially used in industry.  Silicon carbide is used in nuclear industry as structure material that developed as light water reactor (LWR fuel cladding and as a coating layer in the high temperature gas-cooled reactor (HTGR fuel.  In this study silicon carbide oxidation simulation take place in case the accident in primary cooling pipe is ruptured.  Sample silicon carbide made of powder that pressed into pellet with diameter 12.7 mm and thickness 1.0 mm, then oxidized at temperature 1000 oC, 1200 oC dan 1400 oC for 1 hour.  The samples were weighted before and after oxidized.  X-ray diffraction con-ducted to the samples using Panalytical Empyrean diffractometer with Cu as X-ray source.  Diffraction pattern analysis has been done using General Structure Analysis System (GSAS software. This software was resulting the lattice parameter changes and content of SiC phases.  The result showed all of the oxidation samples undergoes weight gain.  The 6S samples showed the highest weight change at oxidation temperature 1200 oC, for the 46S samples showed increasing tendency with the oxidation temperature.  X-ray diffraction pattern analysis showed the 6S samples contain dominan phase 6H-SiC that matched to ICSD 98-001-5325 card.  Diffraction pattern on 6S showed lattice parameter, composition and crystallite size changes.  Lattice parameters changes had smaller tendency from the model and before oxidation.  However, the lowest silicon carbide composition or the highest converted into other phases up to 66.85 %, occurred at oxidation temperature 1200 oC.  The 46S samples contains two polytypes silicon car-bide.  The 6H-SiC phases matched by ICSD 98-016-4972 card and 4H-SiC phase matched by ICSD 98

Crystal structure of 1-ethylpyrazolo[3,4-d]pyrimidine-4(5H-thione

Directory of Open Access Journals (Sweden)

Mohammed El Fal

2014-09-01

Full Text Available In the title compound, C7H8N4S, the methyl C atom is displaced by 1.232 (7 Å from the mean plane of the pyrazolo[3,4-d]pyrimidine ring system (r.m.s. deviation = 0.007 Å. The N—N—C—Cm (m = methyl torsion angle is −60.3 (6°. In the crystal, molecules are linked by N—H...S hydrogen bonds, generating [010] chains, which are reinforced by C—H...N interactions. The chains are cross-linked by weak C—H...S hydrogen bonds, generating (001 sheets.

Embracing Scientific and Engineering Practices in 4-H

Science.gov (United States)

Worker, Steven M.

2013-01-01

The 4-H Science Initiative has renewed efforts to strengthen 4-H programmatic and evaluation efforts in science and engineering education. A fundamental component of this initiative is to provide opportunities to youth to aid in their development of science process skills; however, emerging research stresses the importance of engaging youth in…

4-H Participation and Science Interest in Youth

Science.gov (United States)

Heck, Katherine; Carlos, Ramona M.; Barnett, Cynthia; Smith, Martin H.

2012-01-01

The study reported here investigated the impacts of participation in 4-H on young people's interest and participation in science. Survey data were collected from relatively large and ethnically diverse samples of elementary and high school-aged students in California. Results indicated that although elementary-grade 4-H members are not more…

4-Allyl-6-bromo-2-phenyl-4H-imidazo[4,5-b]pyridine monohydrate

Directory of Open Access Journals (Sweden)

Younès Ouzidan

2010-08-01

Full Text Available In the molecule of the title compound, C15H12BrN3·H2O, the phenyl ring is coplanar with the imidazopyridine ring system [dihedral angle = 0.4 (1°]. The water molecule is disordered over two positions with occupancies of 0.58 (1 and 0.42 (1, and it is linked to the main molecule via an O—H...N hydrogen bond.

H4: A challenging system for natural orbital functional approximations

International Nuclear Information System (INIS)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-01-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D 2h to D 4h symmetry in H 4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H 4 D 4h /D 2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D 2h –D 4h transition of H 4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H 4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices

H4: A challenging system for natural orbital functional approximations

Science.gov (United States)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-10-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D2h to D4h symmetry in H4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H4 D4h/D2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D2h-D4h transition of H4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices.

Synthesis and physical-chemical properties of 2-((4-R-3-(morpholinomethylen-4H-1,2,4-triazole-5ylthioacetic acid

Directory of Open Access Journals (Sweden)

R. О. Shcherbyna

2014-12-01

Full Text Available The creation and improvement of the original domestic medicines is anactual problem of medical and pharmaceutical industries. Chemistry of heterocyclicsystems attracts scientists all over the world, as it is associated with a number of properties of this class of compounds which allow to use them for various purposes. It is known that the morpholine salts of 2-((4-R-5-R1-4H-1,2,4-triazoles-3-ylthioacetic acids exhibit low toxicity and pronounced pharmacological effect. The additional morpholine moiety in the 1,2,4-triazole’s nucleusshould lead to compounds with high biological activity. The aim of researchis the synthesis of 2-((4-R-3-(morpholinomethylen-4H-1,2,4-triazole-5-ylthioaceticacidsand determination of its physical-chemical properties. Materials and methods.The determinationof physical-chemical propertiesof the obtained compounds has been carried out according to the methods listed in the State Pharmacopoeia of Ukraine. The determinationof melting temperature has been performed for the synthesized compounds (device OptiMelt Stanford Research Systems MPA100. The structure of the compoundshas been confirmed by 1H NMR spectroscopy (Mercury 400, chromatography-mass spectrometry (Agilent 1260 Infinity device with mass detector Agilent 6120 LC / MS and elemental analysis (ElementarVario L cube. Results.14 new synthesized compounds, namely isopropyl 2-morpholinoacetate, 2-morpholinoacetohydrazide, N-R-2-(2-morpholinoacetylhydrazinecarbothioamides, 2-(2-morpholinoacetyl-hydrazinecarbothioamide, 3-(morpholinomethyl-4-R-4H-1,2,4-triazole-5-thiolesand2-((4-R-3-(morpholinomethylen-4H-1,2,4-triazole-5-ylthioaceticacid(where, R=H, CH3, C2H5,C6H5 have been studied.The fragmentation of 2-((4-ethyl-3-(morpholinomethyl-4H-1,2,4-triazol-5-ylthioacetic acid has been carried out usingmethod of LC/MS and fragment ions have been identified. The structure of the synthesized compounds in all cases has been confirmed by modern instrumental methods of analysis

Zinc terephthalates ZnC_8H_4O_4 as anodes for lithium ion batteries

International Nuclear Information System (INIS)

Wang, Liping; Zou, Jian; Chen, Shulin; Yang, Jingyi; Qing, Fangzhu; Gao, Peng; Li, Jingze

2017-01-01

Graphical abstract: Both of well-crystalline and amorphous zinc terephthalates ZnC_8H_4O_4 are synthesized and amorphous structure demonstrates a higher capacity and better cycling performance. - Highlights: • Crystalline and amorphous ZnC_8H_4O_4 are obtained. • Both crystalline and amorphous ZnC_8H_4O_4 have σ_e of 10"−"7 S m"−"1. • Lithium ion diffusion is the rate-determine process. • Amorphous has a high capacity and durable performance. • Amorphous ZnC_8H_4O_4 has a high apparent lithium ion diffusion coefficient. - Abstract: Organic materials offer the advantages of cost-effective, environmental benignity, and molecular structural diversity as applications of electrode materials for lithium ion batteries. In fact, their lithium storage behaviors in terms of dynamics and kinetics intrinsically lie in ion migration in solids. Thus the solid forms including crystalline and amorphous states are crucial for the properties. In this study, a conventional carbonyl type organic material, namely zinc terephthalate (ZnC_8H_4O_4), is obtained in both well-crystalline and amorphous forms and applied as anodes for lithium ion batteries. ZnC_8H_4O_4 with amorphous structure shows higher lithium storage capacity and better capacity retention compared with that of crystalline one. It is ascribed that the amorphous phase provides a higher lithium ion diffusion coefficient than the crystalline one under the conditions of similar electronic conductivity.

Cs2SO4-Pr2(SO4)3-H2O and NiSO4-Pr2(SO4)3-H2O systems at 75 deg C

International Nuclear Information System (INIS)

Onishchenko, M.K.; Skorikov, V.M.; Shevchuk, V.G.; AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

1979-01-01

To investigate physico-chemical properties of equilibrium saturated solutions and to elucidate the chemical changes under way, the aqueous systems of cesium, nickel and praseodymium (3) sulfates are studied. The method of isothermal saturation of salts at 75 deg C is used. It has been found that in the system Cs 2 SO 4 -Pr 2 (SO 4 ) 3 -H 2 O in a wide concentration range the soluble binary salt Cs 2 SO 4 xPr 2 (SO 4 ) 3 csytallizes in a congruent way. For the system NiSO 4 -Pr 2 (SO 4 ) 3 -H 2 O a solubility curve of the eutonic type is obtained, there being no chemical interaction between the components. The solubility isotherms for the system are given

Hydrogen Storage Characteristics of CNT doped NaAlH4

International Nuclear Information System (INIS)

Pukazhselvan, D.; Sterlin Leo Hudson, M.; Bipin Kumar Gupta; Srivastava, O.N.

2006-01-01

The current Hydrogen based energy infrastructure required a high energy density consumer friendly hydrogen storage media. Although the desired goals for the hydrogen fueled vehicular transport has not yet met by any hydrogen storage material, complex Sodium Alanate is said to be a promising candidate under this demand due to its high hydrogen storage capacity and the thermodynamically permissible reversible hydrogen storage capacity. However its poor sorption behavior under moderate conditions (NaAlH 4 →Na 3 AlH 6 ; 3.7 wt % vs 50 hrs at ∼170 C and Na 3 AlH 6 →NaH; 1.85 wt % vs 30 hrs at ∼220 C) urges their limited uses in ages. But these limitations can be removed by using catalysts particularly transition elements but the location of catalyst in NaAlH 4 matrix and the possible mechanism is not yet clearly understood. The aim of the present investigation is to improve the overall sorption characteristics of NaAlH 4 by a new light weighted high surface area (1315 sq mtr/gm) material (CNT) admixing and to obtain a best doping level to NaAlH 4 . So far only Ti has been attempted as a suitable catalyst. It is believed that the high surface area of CNT can provide an additional solid-gas (H 2 ) surface/interface and it can produce thermal contact between grains (thermal conductivity Kth of MWCNT: 3000 w/k and Kth of NaAlH 4 : 0.32 w/k) for stimulating their thermally activated dissociation in NaAlH 4 . In parallel with this approach XRD of NaAlH 4 reveals that there was no change in lattice structure after doping by CNT, SEM picture depicts that CNT precipitation in grain surfaces. Catalytic concentration of various mole % of x values finds that x = 8 is the best doping level as it gives 3.3 wt % of hydrogen within 2 hrs. The comparative sorption behavior with Ti:NaAlH 4 also shows CNTs as an optimum alternative catalyst to NaAlH 4 and besides this CNT doped desorbed ingredients shown good re-hydrogenation behavior(3.7 wt % at 8. cycle and 4.2 wt % maximum at

Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo[4,3-c][1,2]thiazin-1-ylacetate

Directory of Open Access Journals (Sweden)

Sana Aslam

2012-10-01

Full Text Available In the title molecule, C15H17N3O4S, the heterocyclic thiazine ring adopts a twist-boat conformation, which differs from that in related compounds, with adjacent S and C atoms displaced by 0.981 (4 and 0.413 (5 Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean plane of the benzene ring makes a dihedral angle of 23.43 (14° with the mean plane of the pyrazole ring. In the crystal, molecules are connected by weak C—H...O hydrogen bonds to form a three-dimensional network. The H atoms of the methyl group attached to the pyrazole ring were refined over six sites with equal occupancies.

H- Ion Sources For CERN’s Linac4

CERN Document Server

Lettry, J; Coutron, Y; Chaudeta, E; Dallocchio, A; Gil Flores, J; Hansen, J; Mahner, E; Mathot, S; Mattei, S; Midttun, O; Moyret, P; Nisbet, D; O’Neil, M; Paoluzzi, M; Pasquino, C; Pereira, H; Sanchez Arias, J; Schmitzer, C; Scrivens, R; Steyaert, D

2013-01-01

The specifications set to the Linac4 ion source are: H- ion pulses of 0.5 ms duration, 80 mA intensity and 45 keV energy within a normalized emittance of 0.25 mmmrad RMS at a repetition rate of 2 Hz. In 2010, during the commissioning of a prototype based on H- production from the plasma volume, it was observed that the powerful co-extracted electron beam inherent to this type of ion source could destroy its electron beam dump well before reaching nominal parameters. However, the same source was able to provide 80 mA of protons mixed with a small fraction of H2+ and H3+ molecular ions. The commissioning of the radio frequency quadrupole accelerator (RFQ), beam chopper and H- beam diagnostics of the Linac4 are scheduled for 2012 and its final installation in the underground building is to start in 2013. Therefore, a crash program was launched in 2010 and reviewed in 2011 aiming at keeping the original Linac4 schedule with the following deliverables: Design and production of a volume ion source prototype suitabl...

4-H Club Goat Guide.

Science.gov (United States)

Brown, R. Kipp

This guide provides information for 4-H Club members who have decided on a club goat project. Topics include general information in the following areas: show rules; facilities and equipment (barns/sheds, fences, feeders, water containers, and equipment); selection (structural correctness, muscle, volume and capacity, style and balance, and growth…

Destabilized LiBH4-NaAlH4 Mixtures Doped with Titanium Based Catalysts

DEFF Research Database (Denmark)

Shi, Qing; Yu, Xuebin; Feidenhans'l, Robert

2008-01-01

We investigate the hydrogen storage properties of the mixed complex hydride LiBH4-NaAlH4 system, both undoped and doped with a TiCl3 additive. The mixed system is found to initiate a transformation to LiBH4-NaAlH4 after ball-milling, and the doped system is found to have a significant lower hydro...

Study of NaBH4 reaction with RhCl3·4H2O and H2PtCl6·6H2O in dimethylformamide

International Nuclear Information System (INIS)

Khain, V.S.; Val'kova, V.P.

1988-01-01

Data on study of NaBH 4 reactions with RhCl 3 x4H 2 O and H 2 PtCl 6 x6H 2 O in dimethylformamide, which is a good solvent of both complex hydride and compounds of platinum metals are presented. Rhodium (3) and platinum (4) reduction by sodium tetrahydridoborate in dimethylformamide proceeds quantitatively up to element state. Depositions of powder-like rhodium and platinum or their sols stable up to 8 months are formed depending on the ratio of concentrations of the reacting substances. Stoichiometry of redox-reactions is established based on spectrophotometric, gasovolumetric measurements,

The Histamine H4 Receptor: From Orphan to the Clinic

Directory of Open Access Journals (Sweden)

Robin L. Thurmond

2015-03-01

Full Text Available The histamine H4 receptor (H4R was first noted as a sequence in genomic databases that had features of a G-protein coupled receptor. This putative receptor was found to bind histamine consistent with its homology to other histamine receptors and thus became the fourth member of the histamine receptor family. Due to the previous success of drugs that target the H1 and H2 receptors, an effort was made to understand the function of this receptor and determine if it represented a drug target. Taking advantage of the vast literature on histamine, a search for histamine activity that did not appear to be mediated by the other three histamine receptors was undertaken. From this asthma and pruritus emerged as areas of particular interest. Histamine has long been suspected to play a role in the pathogenesis of asthma, but antihistamines that target the H1 and H2 receptors have not been shown to be effective for this condition. The use of selective ligands in animal models of asthma has now potentially filled this gap by showing a role for the H4R in mediating lung function and inflammation. A similar story exists for chronic pruritus associated with conditions such as atopic dermatitis. Antihistamines that target the H1 receptor are effective in reducing acute pruritus, but are ineffective in pruritus experienced by patients with atopic dermatitis. As for asthma, animal models have now suggested a role for the H4R in mediating pruritic responses, with antagonists to the H4R reducing pruritus in a number of different conditions. The anti-pruritic effect of H4R antagonists has recently been shown in human clinical studies, validating the preclinical findings in the animal models. A selective H4R antagonist inhibited histamine-induced pruritus in health volunteers and reduced pruritus in patients with atopic dermatitis. The history to date of the H4R provides an excellent example of the deorphanization of a novel receptor and the translation of this into

Ab initio chemical kinetics for SiH3 reactions with Si(x)H2x+2 (x = 1-4).

Science.gov (United States)

Raghunath, P; Lin, M C

2010-12-30

Gas-phase kinetics and mechanisms of SiH(3) reactions with SiH(4), Si(2)H(6), Si(3)H(8), and Si(4)H(10), processes of relevance to a-Si thin-film deposition, have been investigated by ab initio molecular orbital and transition-state theory (TST) calculations. Geometric parameters of all the species involved in the title reactions were optimized by density functional theory at the B3LYP and BH&HLYP levels with the 6-311++G(3df,2p) basis set. The potential energy surface of each reaction was refined at the CCSD(T)/6-311++G(3df,2p) level of theory. The results show that the most favorable low energy pathways in the SiH(3) reactions with these silanes occur by H abstraction, leading to the formation of SiH(4) + Si(x)H(2x+1) (silanyl) radicals. For both Si(3)H(8) and n-Si(4)H(10) reactions, the lowest energy barrier channels take place by secondary Si-H abstraction, yielding SiH(4) + s-Si(3)H(7) and SiH(4) + s-Si(4)H(9), respectively. In the i-Si(4)H(10) reaction, tertiary Si-H abstraction has the lowest barrier producing SiH(4) + t-Si(4)H(9). In addition, direct SiH(3)-for-X substitution reactions forming Si(2)H(6) + X (X = H or silanyls) can also occur, but with significantly higher reaction barriers. A comparison of the SiH(3) reactions with the analogous CH(3) reactions with alkanes has been made. The rate constants for low-energy product channels have been calculated for the temperature range 300-2500 K by TST with Eckart tunneling corrections. These results, together with predicted heats of formation of various silanyl radicals and Si(4)H(10) isomers, have been tabulated for modeling of a-Si:H film growth by chemical vapor deposition.

Analysis of (NH4)2SO4/(NH4)H2PO4 mixtures by thermogravimetry and X-ray diffraction

International Nuclear Information System (INIS)

Perez, Jose; Perez, Eduardo; Vas, Beatriz del; Garcia, Luis; Serrano, Jose Luis

2006-01-01

(NH 4 ) 2 SO 4 and (NH 4 )H 2 PO 4 are the principal components in the powder material used in fire extinguishers. In this paper the mutual influence in their thermal decomposition is investigated by thermogravimetry. Two methods for the quantification of both salts in mixtures (NH 4 ) 2 SO 4 /(NH 4 )H 2 PO 4 are proposed. The first employs thermogravimetry and is based on the measurement of the mass fraction in the 500-550 deg. C interval, once (NH 4 ) 2 SO 4 has totally decomposed to yield gaseous products. The second uses some selected peaks in the X-ray diffractogram

1,4-Iron Migration for Expedient Allene Annulations through Iron-Catalyzed C-H/N-H/C-O/C-H Functionalizations.

Science.gov (United States)

Mo, Jiayu; Müller, Thomas; Oliveira, João C A; Ackermann, Lutz

2018-06-25

C-H activation bears great potential for enabling sustainable molecular syntheses in a step- and atom-economical manner, with major advances having been realized with precious 4d and 5d transition metals. In contrast, we employed earth abundant, nontoxic iron catalysts for versatile allene annulations through a unique C-H/N-H/C-O/C-H functionalization sequence. The powerful iron catalysis occurred under external-oxidant-free conditions even at room temperature, while detailed mechanistic studies revealed an unprecedented 1,4-iron migration regime for facile C-H activations. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

4-Benzyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine

OpenAIRE

Selma Bourichi; Youssef Kandri Rodi; Jerry P. Jasinski; Manpreet Kaur; Younes Ouzidan; El Mokhtar Essassi

2017-01-01

In the title compound, C19H13BrClN3, the chlorophenyl ring occupies an equatorial position with respect to the mean plane of the imidazopyridine unit, while the other phenyl ring is twisted by 4.1 (2)° with respect to the mean plane of the imidazopyridine unit. In the crystal, pairwise C—H...Br interactions link the molecules into dimers, forming an R22(16) ring motif. In addition, weak π–π stacking interactions stabilize the crystal packing.

4-Benzyl-6-bromo-2-(4-chlorophenyl-4H-imidazo[4,5-b]pyridine

Directory of Open Access Journals (Sweden)

Selma Bourichi

2017-06-01

Full Text Available In the title compound, C19H13BrClN3, the chlorophenyl ring occupies an equatorial position with respect to the mean plane of the imidazopyridine unit, while the other phenyl ring is twisted by 4.1 (2° with respect to the mean plane of the imidazopyridine unit. In the crystal, pairwise C—H...Br interactions link the molecules into dimers, forming an R22(16 ring motif. In addition, weak π–π stacking interactions stabilize the crystal packing.

6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl(4-nitrophenylmethyl]-1,3-dimethylpyrimidine-2,4(1H,3H-dione

Directory of Open Access Journals (Sweden)

N. Sureshbabu

2013-11-01

Full Text Available In the title compound, C21H23N3O7, the pyrimidinedione ring adopts a screw-boat conformation, whereas the cyclohexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidinedione and cyclohexenone rings is 58.78 (2°. The pyrimidinedione and cyclohexenone rings form dihedral angles of 59.94 (3 and 54.73 (2°, respectively, with the 4-nitrophenyl ring. Relatively strong intramolecular O—H...O hydrogen bonds are observed. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a chain along the c-axis direction.

Facile synthesis and herbicidal evaluation of 2-aryl-4h-3, 1-benzoxazin-4-ones

International Nuclear Information System (INIS)

Hussain, Z.; Khan, Z.A.

2013-01-01

The present work deals with the synthesis of 4H-3,1-benzoxazin-4-ones carrying an aryl functional group at position-2. Synthesized compounds tested for herbicidal activity at three different doses (500 micro g/mL, 50 micro g/mL and 5 micro g/mL). Most of the compounds exhibited significant herbicidal activity against Lemna aequinocitalis welv at higher dose (500 micro g/mL). Among the tested compounds 2-phenyl-4H-3,1-benzoxazin-4-one (3a) and 2-(3-chlorophenyl)-4H-3,1-benzoxazin-4-one (3l) completely inhibited the plant growth at 500 and 50 micro g/mL concentrations. All the synthetic compounds were characterized by FT-IR, 1H NMR, EI-MS and elemental analysis. (author)

Ring rearrangements and reactivity of 3-((4-oxo-4H-chromen-3-ylmethylene-4-phenyl-1H-[1,5]benzodiazepin-2(3H-one toward some nucleophiles

Directory of Open Access Journals (Sweden)

Hanan Salah

2017-05-01

Full Text Available Condensation of 4-phenyl-1H-[1,5]benzodiazepin-2(3H-one (1 with 3-formylchromone (2 afforded a mixture of 3-(chromenylmethylene[1,5]benzodiazepinone 3 and 14-chromenylbenzodiazepino[2,3:6,5]pyrano[2,3-b]benzodiazepine 4. Ring rearrangements of compound 3 with different nucleophilic reagents, such as potassium hydroxide and/or ammonium acetate led to rearrangement into pyranobenzodiazepine 5 and pyridobenzodiazepine 6, respectively. Treatment of compound 3 with hydrazine hydrate, hydroxylamine hydrochloride, malononitrile, cyanothioacetamide, 2-cyano-3,3-disufanylacrylonitrile, and/or 2-cyano-3-phenylamino-3-sufanylacrylonitrile, has been carried out at different conditions, leading to versatile heterocyclic substituted benzodiazepines at position 3, viz. pyrazole 8, isoxazole 9, pyridines 10 and 11, 1,3-dithiine 12, and 1,3-thiazine 13 derivatives.

Structure of ferroelastic K3H(SeO4)2

International Nuclear Information System (INIS)

Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.

1992-01-01

Tripotassium hydrogenbis(selenate), K 3 H(SeO 4 ) 2 , M r = 404.2, monoclinic, A2/a, a = 10.1291 (8), b = 5.9038 (5), c = 14.961 (1) A, β = 103.640 (8) 0 , V = 869.5 (1) A 3 , Z = 4, D x = 3.086 Mg m -3 , λ(Mo Kα) = 0.71073 A, μ = 9.86 mm -1 , F(000) = 760, T = 299 K, R(F) = 0.0294 for 1670 unique reflections. K 3 H(SeO 4 ) 2 is isomorphous with most M 3 H(XO 4 ) 2 -type crystals (M=K,Rb and Cs; Cs; X = S and Se); two SeO 4 groups are connected by a crystallographically symmetric hydrogen bond into a dimer. The bond distances and angles in the SeO 4 group are similar to those in Rb 3 H(SeO 4 ) 2 and Rb 3 D(SeO 4 ) 2 . The hydrogen-bond length, 2.524 (5) A, is the shortest among the members of the M 3 H(SeO 4 ) 2 family exhibiting the low-temperature phase transition. (orig.)

Conductivity of Composite Material Based on System NdPO4·nH2OCsH2PO4

DEFF Research Database (Denmark)

Anfimova, Tatiana; Bjerrum, Niels J.; Li, Qingfeng

2013-01-01

The goal of the present study was to obtain a comprehensive knowledge about synthesis conditions, structure, thermal behavior and conductivity properties of neodymiumorthophosphates in order to analyze of use this material in intermediate temperature fuel cells due to their thermal and chemical...... stability properties.The impedance spectroscopy technique (IS) was used to measure the conductivity. The conductivity of composites observed to be lower than conductivity of pure CsH2PO4 but had improved sufficiently conductivity of pure NdPO4·nH2O...

Crystal structure of ethyl (4R-2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

Directory of Open Access Journals (Sweden)

Joel T. Mague

2015-07-01

Full Text Available In the title compound, C18H17NO4, the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4°. The conformation of the molecule is determined in part by an intramolecular N—H...O hydrogen bond between the amino H atom and the carbonyl O atom, forming an S(6 motif. In the crystal, molecules are linked into N—H...O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100 via O—H...O hydrogen bonds. C—H...O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5:0.199 (5 ratio.

Low-temperature H2-4He and H2-3He targets for operation on an electron beam

International Nuclear Information System (INIS)

Gol'dshtejn, V.A.; Lubyanyj, V.V.

1981-01-01

Structures and basic characteristics of H 2 - 4 He and H 2 - 3 He low temperature targets are given. Technique of 3 He target filling is described. Initial target cooling up to liquid 4 He temperature and its filling up take near approximately 1 h, at that 4 He flow rate equals 15 l. Repeated filling up of 4 He takes 20 min, and target filling up with 3 He - 10-15 min. Good thermal insulation of a cryostat and targets permits the 4 He target to be operated with an electron beam of a mean current of up to 0.5 μA without filling up 4 He for 70 h. At that flow rate of liquid 4 He amounts to 0.2 l/h, and liquid hydrogen - 0.04 l/h. It is concluded that H 2 - 4 He and H 2 - 3 He targets are reliable and simple in operation and permit to work with accelerated particle beams of intensity corresponding to power release >= 0.5 W without corrections for density change [ru

Prevalent Approaches to Professional Development in State 4-H Programs

Science.gov (United States)

Smith, Martin H.; Worker, Steven M.; Schmitt-McQuitty, Lynn; Meehan, Cheryl L.; Lewis, Kendra M.; Schoenfelder, Emily; Brian, Kelley

2017-01-01

High-quality 4-H programming requires effective professional development of educators. Through a mixed methods study, we explored professional development offered through state 4-H programs. Survey results revealed that both in-person and online delivery modes were used commonly for 4-H staff and adult volunteers; for teen volunteers, in-person…

A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks

DEFF Research Database (Denmark)

Huang, Hongda; Strømme, Caroline B; Saredi, Giulia

2015-01-01

During DNA replication, chromatin is reassembled by recycling of modified old histones and deposition of new ones. How histone dynamics integrates with DNA replication to maintain genome and epigenome information remains unclear. Here, we reveal how human MCM2, part of the replicative helicase......, chaperones histones H3-H4. Our first structure shows an H3-H4 tetramer bound by two MCM2 histone-binding domains (HBDs), which hijack interaction sites used by nucleosomal DNA. Our second structure reveals MCM2 and ASF1 cochaperoning an H3-H4 dimer. Mutational analyses show that the MCM2 HBD is required...... for MCM2-7 histone-chaperone function and normal cell proliferation. Further, we show that MCM2 can chaperone both new and old canonical histones H3-H4 as well as H3.3 and CENPA variants. The unique histone-binding mode of MCM2 thus endows the replicative helicase with ideal properties for recycling...

A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.

Science.gov (United States)

Huang, Hongda; Strømme, Caroline B; Saredi, Giulia; Hödl, Martina; Strandsby, Anne; González-Aguilera, Cristina; Chen, Shoudeng; Groth, Anja; Patel, Dinshaw J

2015-08-01

During DNA replication, chromatin is reassembled by recycling of modified old histones and deposition of new ones. How histone dynamics integrates with DNA replication to maintain genome and epigenome information remains unclear. Here, we reveal how human MCM2, part of the replicative helicase, chaperones histones H3-H4. Our first structure shows an H3-H4 tetramer bound by two MCM2 histone-binding domains (HBDs), which hijack interaction sites used by nucleosomal DNA. Our second structure reveals MCM2 and ASF1 cochaperoning an H3-H4 dimer. Mutational analyses show that the MCM2 HBD is required for MCM2-7 histone-chaperone function and normal cell proliferation. Further, we show that MCM2 can chaperone both new and old canonical histones H3-H4 as well as H3.3 and CENPA variants. The unique histone-binding mode of MCM2 thus endows the replicative helicase with ideal properties for recycling histones genome wide during DNA replication.

RPA binds histone H3-H4 and functions in DNA replication-coupled nucleosome assembly.

Science.gov (United States)

Liu, Shaofeng; Xu, Zhiyun; Leng, He; Zheng, Pu; Yang, Jiayi; Chen, Kaifu; Feng, Jianxun; Li, Qing

2017-01-27

DNA replication-coupled nucleosome assembly is essential to maintain genome integrity and retain epigenetic information. Multiple involved histone chaperones have been identified, but how nucleosome assembly is coupled to DNA replication remains elusive. Here we show that replication protein A (RPA), an essential replisome component that binds single-stranded DNA, has a role in replication-coupled nucleosome assembly. RPA directly binds free H3-H4. Assays using a synthetic sequence that mimics freshly unwound single-stranded DNA at replication fork showed that RPA promotes DNA-(H3-H4) complex formation immediately adjacent to double-stranded DNA. Further, an RPA mutant defective in H3-H4 binding exhibited attenuated nucleosome assembly on nascent chromatin. Thus, we propose that RPA functions as a platform for targeting histone deposition to replication fork, through which RPA couples nucleosome assembly with ongoing DNA replication. Copyright © 2017, American Association for the Advancement of Science.

Neutron scattering studies of the H2a-H2b and (H3-H4)2 histone complexes

International Nuclear Information System (INIS)

Carlson, R.D.

1984-01-01

Neutron scattering experiments have shown that both the (H3-H4)2 and H2a-H2b histone complexes are quite asymmetric in solution. The (H3-H4)2 tetramer is an oblate or flattened structure, with a radius of gyration almost as large as that of the core octamer. If the tetramer is primarily globular, it must have an axial ratio of about 1:5. It is more likely, however, that this asymmetry results in part from N-terminal arms that extend outward approximately within the major plane of the particle. If this is the case, less asymmetric models for the globular part of the tetramer, including a dislocated disk of the type proposed by Klug et al. (23), can be made consistent with the scattering data. The H2a-H2b dimer, on the other hand, is an elongated structure. The low resolution data are in good agreement with those calculated for a cylindrical model 64 X 27 A, but other elongated models fit those data almost as well, including one that approximates free N-terminal arms at each end. Free arms are not necessary, but they must extend from the ends if they exist. A contrast matching experiment done with 50% deuterated H2b and undeuterated H2a in the reconstituted dimer showed that these two histones must each be rather elongated within the complex and are not just confined to one end. The amount of scattering contrast between the undeuterated and 50% deuterated histones was sufficient to suggest further experiments using complexes reconstituted from mixtures of undeuterated and partially deuterated histones which will help elucidate their arrangement within the histone complexes and within the octamer core of the nucleosome core particle

Facile synthesis of (4S)-(-)-[9-3H]limonene

International Nuclear Information System (INIS)

Hiraga, Yoshikazu; Danjo, Hiroshi; Ito, Takatoshi; Suga, Takayuki

1993-01-01

[ 3 H]-1-Methyl-4-(1'-methylethenyl)cyclohexene [ 3 H] limonene) was synthesized from: -2-(4'-methylcyclohex-3'-enyl)propanal -(-)-1-ρ-menthen-9-al) via a convenient route in a high yield with improved enantiomeric purity. (Author)

Long-term stability of FeSO{sub 4} and H{sub 2}SO{sub 4} treated chromite ore processing residue (COPR): Importance of H{sup +} and SO{sub 4}{sup 2−}

Energy Technology Data Exchange (ETDEWEB)

Wang, Xin [School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Zhang, Jingdong [School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Wang, Linling, E-mail: wanglinling@mail.hust.edu.cn [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Chen, Jing, E-mail: chenjing@mail.hust.edu.cn [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Hou, Huijie; Yang, Jiakuan [School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China); Lu, Xiaohua [School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China)

2017-01-05

Highlights: • The long-term stability of the FeSO{sub 4}-H{sub 2}SO{sub 4} treated COPR was evaluated. • Reliable long-term stability for samples curing 400 days was achieved. • H{sub 2}SO{sub 4} significantly enhanced the stabilization efficiency of COPR using FeSO{sub 4}. • H{sup +} and SO{sub 4}{sup 2−} both reinforced Cr(VI) release from COPR core to react with Fe(II). - Abstract: In this study, the long-term stability of Cr(VI) in the FeSO{sub 4} and H{sub 2}SO{sub 4} (FeSO{sub 4}-H{sub 2}SO{sub 4}) treated chromite ore processing residue (COPR) after 400 curing days and the stabilization mechanisms were investigated. FeSO{sub 4}-H{sub 2}SO{sub 4} treatment significantly reduced toxicity characteristic leaching procedure (TCLP) and synthetic precipitation leaching procedure (SPLP) Cr(VI) concentrations to lower than the regulatory limit of 1.5 mg L{sup −1} (HJ/T 301-2007, China EPA) even for the samples curing 400 days, achieving an outstanding long-term stability. Our independent leaching tests revealed that H{sup +} and SO{sub 4}{sup 2−} have synergistic effect on promoting the release of Cr(VI), which would make Cr(VI) easier accessed by Fe(II) during stabilization. The contributions of H{sup +} and SO{sub 4}{sup 2−} to Cr(VI) release ratio were 25%–44% and 19%–38%, respectively, as 5 mol H{sub 2}SO{sub 4} per kg COPR was used. X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and alkaline digestion analyses were also employed to interpret the possible stabilization mechanism. Cr(VI) released from COPR solid was reduced to Cr(III) by Fe(II), and then formed stable Fe{sub x}Cr{sub (1−x)}(OH){sub 3} precipitate. This study provides a facile and reliable scheme for COPR stabilization, and verifies the excellent long-term stability of the FeSO{sub 4}-H{sub 2}SO{sub 4} treated COPR.

The 4-H Club Meeting: An Essential Youth Development Strategy

Science.gov (United States)

Cassels, Alicia; Post, Liz; Nestor, Patrick I.

2015-01-01

The club meeting has served as a key delivery method for 4-H programming across the United States throughout its history. A survey of WV 4-H community club members reinforces the body of evidence that the 4-H club meeting is an effective vehicle for delivering positive youth learning opportunities within the umbrella of the Essential Elements of…

Valence bond model potential energy surface for H4

International Nuclear Information System (INIS)

Silver, D.M.; Brown, N.J.

1980-01-01

Potential energy surfaces for the H 4 system are derived using the valence bond procedure. An ab initio evaluation of the valence bond energy expression is described and some of its numerical properties are given. Next, four semiempirical evaluations of the valence bond energy are defined and parametrized to yield reasonable agreement with various ab initio calculations of H 4 energies. Characteristics of these four H 4 surfaces are described by means of tabulated energy minima and equipotential contour maps for selected geometrical arrangements of the four nuclei

Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce, Nd.

Science.gov (United States)

De Almeida, Lucie; Grandjean, Stéphane; Rivenet, Murielle; Patisson, Fabrice; Abraham, Francis

2014-03-28

New hydrazinium lanthanide oxalates N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce (Ce-HyOx) and Nd (Nd-HyOx), were synthesized by hydrothermal reaction at 150 °C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2₁/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Å, β = 116.638(4)°, V = 2021.4(7) Å(3), Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO9 and NdO8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm(-1) confirms the coordination of N2H5(+) to the metal. These polyhedra are connected through μ2 and μ3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-HyOx) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO2 and Ce(0.5)Nd(0.5)O(1.75) are formed at low temperature from Ce-HyOx and CeNd-HyOx, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxymonocyanamides Ln2O2CN2 are formed.

5-Acetamido-1H-pyrazole-4-carboxamide monohydrate

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Lhoussaine El Ghayati

2016-06-01

Full Text Available There are two independent molecules of the title carboxamide compound, C6H8N4O2·H2O, as well as two independent water molecules in the asymmetric unit. The two independent carboxamide molecules differ primarily in the relative orientations of the peripheral methyl and amino groups. Intramolecular N—H...O hydrogen bonds assist in determining the orientations of the acetamido substituents. The three-dimensional crystal packing is directed by a large network of O—H...O, N—H...O, C—H...O and C—H...N hydrogen bonds.

Extension Staffing Models to Serve 4-H Clientele in Changing Times

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Donna R. Gillespie

2010-03-01

Full Text Available In response to budget cuts in 2002, 4-H staffing models were restructured. The response by University of Idaho Extension was intended to continue meeting the needs of Idaho’s citizens with fewer UI Extension faculty. This staffing reorganization led to the formation of the District III 4-H Team who united to bring stronger 4-H programs to south central Idaho and expand programs to underserved audiences. Information from surveys and interviews over the past seven years reflects the effectiveness, challenges and successes of the District III 4-H Team. In Making the Best Better: 4-H Staffing Patterns and Trends in the Largest Professional Network in the Nation (2007, author Kirk A. Astroth notes a nationwide change in 4-H leadership at the county level from 4-H faculty to program assistants or coordinators. The information gathered in our research may help other states determine staffing models to meet the needs of clientele in these changing times.

The 4-H Youth Development Professionals Workload Relationship to Job Satisfaction

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Carrie Stark

2012-09-01

Full Text Available A study to determine what job responsibilities Extension 4-H youth development professionals (n=241 chose to spend their work time doing and how the workload related to their job satisfaction and burnout is discussed in this paper. Workload was determined using the 4-H Professional, Research, Knowledge, and Competencies (4-H PRKC. Professionals identified their level of job satisfaction and burnout. Based on the previous research on workload, burnout, and job satisfaction, 4-H youth development professionals are prime candidates for experiencing low job satisfaction and increased burnout, which may lead to professionals leaving the organization early. 4-H youth development professionals reported being satisfied with their job and felt very little burnout. Even with the positive job satisfaction and low burnout, there are strategies shared for each of the 4-H PRKC domains to help 4-H professionals continue to have a high level of job satisfaction and low burnout. Many of the strategies that are shared in this paper are applicable to not only 4-H youth development professionals but to any professional who works in the field of youth development.

trans-2-Phenyl-4-thiophenoxy-3,4-dihydro-2H-1-benzothiopyran

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Rammohan Pal

2011-02-01

Full Text Available Iodine-catalyzed cyclocondensation of cinnamaldehyde and thiophenol yields rapidly trans-2-phenyl-4-thiophenoxy-3,4-dihydro-2H-1-benzothiopyran in excellent yield with very high diastereoselectivity.

Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 : Calculated dehydrogenation enthalpy, including zero point energy, and the structure of the phonon spectra

NARCIS (Netherlands)

Marashdeh, A.; Frankcombe, T.J.

2008-01-01

The dehydrogenation enthalpies of Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski’s direct method. The

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

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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.

Characterization of novel non-clonal intrachromosomal rearrangements between the H4 and PTEN genes (H4/PTEN) in human thyroid cell lines and papillary thyroid cancer specimens

International Nuclear Information System (INIS)

Puxeddu, Efisio; Zhao Guisheng; Stringer, James R.; Medvedovic, Mario; Moretti, Sonia; Fagin, James A.

2005-01-01

The two main forms of RET rearrangement in papillary thyroid carcinomas (PTC) arise from intrachromosomal inversions fusing the tyrosine kinase domain of RET with either the H4 (RET/PTC1) or the ELE1/RFG genes (RET/PTC3). PTEN codes for a dual-specificity phosphatase and maps to chromosome 10q22-23. Germline mutations confer susceptibility to Cowden syndrome whereas somatic mutations or deletions are common in several sporadic human tumors. Decreased PTEN expression has been implicated in thyroid cancer development. We report the characterization of a new chromosome 10 rearrangement involving H4 and PTEN. The initial H4/PTEN rearrangement was discovered as a non-specific product of RT-PCR for RET/PTC1 in irradiated thyroid cell lines. Sequencing revealed a transcript consisting of exon 1 and 2 of H4 fused with exons 3-6 of PTEN. Nested RT-PCR with specific primers bracketing the breakpoints confirmed the H4/PTEN rearrangements in irradiated KAT-1 and KAT-50 cells. Additional H4/PTEN variants, generated by recombination of either exon 1 or exon 2 of H4 with exon 6 of PTEN, were found in non-irradiated KAK-1, KAT-50, ARO and NPA cells. Their origin through chromosomal recombination was confirmed by detection of the reciprocal PTEN/H4 product. H4/PTEN recombination was not a clonal event in any of the cell lines, as Southern blots with appropriate probes failed to demonstrate aberrant bands, and multicolor FISH of KAK1 cells with BAC probes for H4 and PTEN did not show a signal overlap in all cells. Based on PCR of serially diluted samples, the minimal frequency of spontaneous recombination between these loci was estimated to be approximately 1/10 6 cells. H4/PTEN products were found by nested RT-PCR in 4/14 normal thyroid tissues (28%) and 14/18 PTC (78%) (P < 0.01). H4/PTEN is another example of recombination involving the H4 locus, and points to the high susceptibility of thyroid cells to intrachromosomal gene rearrangements. As this also represents a plausible

Characterization of novel non-clonal intrachromosomal rearrangements between the H4 and PTEN genes (H4/PTEN) in human thyroid cell lines and papillary thyroid cancer specimens

Energy Technology Data Exchange (ETDEWEB)

Puxeddu, Efisio [Division of Endocrinology and Metabolism, University of Cincinnati College of Medicine, PO Box 670547, Cincinnati, OH 45267-0547 (United States); Zhao Guisheng [Division of Endocrinology and Metabolism, University of Cincinnati College of Medicine, PO Box 670547, Cincinnati, OH 45267-0547 (United States); Stringer, James R. [Department of Molecular Genetics, University of Cincinnati College of Medicine, PO Box 670547, Cincinnati, OH 45267-0547 (United States); Medvedovic, Mario [Center for Biostatistic Service, University of Cincinnati College of Medicine, PO Box 670547, Cincinnati, OH 45267-0547 (United States); Moretti, Sonia [Dipartimento di Medicina Interna, Universita degli Studi di Perugia, Via E. dal Pozzo, Perugia 06126, (Italy); Fagin, James A. [Division of Endocrinology and Metabolism, University of Cincinnati College of Medicine, PO Box 670547, Cincinnati, OH 45267-0547 (United States)]. E-mail: james.fagin@uc.edu

2005-02-15

The two main forms of RET rearrangement in papillary thyroid carcinomas (PTC) arise from intrachromosomal inversions fusing the tyrosine kinase domain of RET with either the H4 (RET/PTC1) or the ELE1/RFG genes (RET/PTC3). PTEN codes for a dual-specificity phosphatase and maps to chromosome 10q22-23. Germline mutations confer susceptibility to Cowden syndrome whereas somatic mutations or deletions are common in several sporadic human tumors. Decreased PTEN expression has been implicated in thyroid cancer development. We report the characterization of a new chromosome 10 rearrangement involving H4 and PTEN. The initial H4/PTEN rearrangement was discovered as a non-specific product of RT-PCR for RET/PTC1 in irradiated thyroid cell lines. Sequencing revealed a transcript consisting of exon 1 and 2 of H4 fused with exons 3-6 of PTEN. Nested RT-PCR with specific primers bracketing the breakpoints confirmed the H4/PTEN rearrangements in irradiated KAT-1 and KAT-50 cells. Additional H4/PTEN variants, generated by recombination of either exon 1 or exon 2 of H4 with exon 6 of PTEN, were found in non-irradiated KAK-1, KAT-50, ARO and NPA cells. Their origin through chromosomal recombination was confirmed by detection of the reciprocal PTEN/H4 product. H4/PTEN recombination was not a clonal event in any of the cell lines, as Southern blots with appropriate probes failed to demonstrate aberrant bands, and multicolor FISH of KAK1 cells with BAC probes for H4 and PTEN did not show a signal overlap in all cells. Based on PCR of serially diluted samples, the minimal frequency of spontaneous recombination between these loci was estimated to be approximately 1/10{sup 6} cells. H4/PTEN products were found by nested RT-PCR in 4/14 normal thyroid tissues (28%) and 14/18 PTC (78%) (P < 0.01). H4/PTEN is another example of recombination involving the H4 locus, and points to the high susceptibility of thyroid cells to intrachromosomal gene rearrangements. As this also represents a

Large-space cluster model calculations for the 3He(3He,2p)4He and 3H(3H,2n)4He reactions

International Nuclear Information System (INIS)

Csoto, Attila; Langanke, Karlheinz

1999-01-01

The 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He reactions are studied in a microscopic cluster model. We search for resonances in the 3 He+ 3 He and 4 He + p + p channels using methods that treat the two- and three-body resonance asymptotics correctly. Our results show that the existence of a low-energy resonance or virtual state, which could influence the 7 Be and 8 B solar neutrino fluxes, is rather unlikely. Our calculated 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He cross sections are in a good general agreement with the experimental data

Protection of White Leghorn chickens by U.S. emergency H5 vaccination against clade 2.3.4.4 H5N2 high pathogenicity avian influenza virus.

Science.gov (United States)

Bertran, Kateri; Balzli, Charles; Lee, Dong-Hun; Suarez, David L; Kapczynski, Darrell R; Swayne, David E

2017-11-01

During December 2014-June 2015, the U.S. experienced a high pathogenicity avian influenza (HPAI) outbreak caused by clade 2.3.4.4 H5Nx Goose/Guangdong lineage viruses with devastating consequences for the poultry industry. Three vaccines, developed based on updating existing registered vaccines or currently licensed technologies, were evaluated for possible use: an inactivated reverse genetics H5N1 vaccine (rgH5N1) and an RNA particle vaccine (RP-H5), both containing the hemagglutinin gene of clade 2.3.4.4 strain, and a recombinant herpesvirus turkey vectored vaccine (rHVT-H5) containing the hemagglutinin gene of clade 2.2 strain. The efficacy of the three vaccines, alone or in combination, was assessed in White Leghorn chickens against clade 2.3.4.4 H5N2 HPAI virus challenge. In Study 1, single (rHVT-H5) and prime-boost (rHVT-H5+rgH5N1 or rHVT-H5+RP-H5) vaccination strategies protected chickens with high levels of protective immunity and significantly reduced virus shedding. In Study 2, single vaccination with either rgH5N1 or RP-H5 vaccines provided clinical protection in adult chickens and significantly reduced virus shedding. In Study 3, double rgH5N1 vaccination protected adult chickens from clinical signs and mortality when challenged 20weeks post-boost, with high levels of long-lasting protective immunity and significantly reduced virus shedding. These studies support the use of genetically related vaccines, possibly in combination with a broad protective priming vaccine, for emergency vaccination programs against clade 2.3.4.4 H5Nx HPAI virus in young and adult layer chickens. Published by Elsevier Ltd.

Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1 H-1,2,4-Triazole-5(4 H)-Thione

Science.gov (United States)

Mindarava, Y. L.; Shundalau, M. B.; Al-Wahaibi, L. H.; El-Emam, A. A.; Matsukovich, A. S.; Gaponenko, S. V.

2018-05-01

Vibrational IR (3200-650 cm-1) and Raman spectra (3200-150 cm-1) of adamantane-containing 3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, which is promising for drug design, were examined. The UV/Vis spectrum (450-200 nm) of the compound in EtOH was measured. Full geometry optimization using density functional theory (DFT) in the B3LYP/cc-pVDZ approximation allowed the equilibrium configuration of the molecule to be determined and IR and Raman spectra to be calculated. Based on these, the experimental vibrational IR and Raman spectra were interpreted and the biological activity indices were predicted. The UV/Vis spectrum of the title compound was simulated at the time-dependent DFT/CAM-B3LYP/cc-pVDZ level with and without solvent effects and at the ab initio multi-reference perturbation theory XMCQDPT2 level. The UV/Vis spectrum that was simulated using the multi-reference XMCQDPT2 approximation agreed very successfully with the experimental data, in contrast to the single-reference DFT method. This was probably a consequence of intramolecular charge transfer.

Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1H-1,2,4-Triazole-5(4H)-Thione

Science.gov (United States)

Mindarava, Y. L.; Shundalau, M. B.; Al-Wahaibi, L. H.; El-Emam, A. A.; Matsukovich, A. S.; Gaponenko, S. V.

2018-05-01

Vibrational IR (3200-650 cm-1) and Raman spectra (3200-150 cm-1) of adamantane-containing 3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, which is promising for drug design, were examined. The UV/Vis spectrum (450-200 nm) of the compound in EtOH was measured. Full geometry optimization using density functional theory (DFT) in the B3LYP/cc-pVDZ approximation allowed the equilibrium configuration of the molecule to be determined and IR and Raman spectra to be calculated. Based on these, the experimental vibrational IR and Raman spectra were interpreted and the biological activity indices were predicted. The UV/Vis spectrum of the title compound was simulated at the time-dependent DFT/CAM-B3LYP/cc-pVDZ level with and without solvent effects and at the ab initio multi-reference perturbation theory XMCQDPT2 level. The UV/Vis spectrum that was simulated using the multi-reference XMCQDPT2 approximation agreed very successfully with the experimental data, in contrast to the single-reference DFT method. This was probably a consequence of intramolecular charge transfer.

Alterations of global histone H4K20 methylation during prostate carcinogenesis

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Behbahani Turang E

2012-03-01

Full Text Available Abstract Background Global histone modifications have been implicated in the progression of various tumour entities. Our study was designed to assess global methylation levels of histone 4 lysine 20 (H4K20me1-3 at different stages of prostate cancer (PCA carcinogenesis. Methods Global H4K20 methylation levels were evaluated using a tissue microarray in patients with clinically localized PCA (n = 113, non-malignant prostate disease (n = 27, metastatic hormone-naive PCA (mPCA, n = 30 and castration-resistant PCA (CRPC, n = 34. Immunohistochemistry was performed to assess global levels of H4K20 methylation levels. Results Similar proportions of the normal, PCA, and mPCA prostate tissues showed strong H4K20me3 staining. CRPC tissue analysis showed the weakest immunostaining levels of H4K20me1 and H4K20me2, compared to other prostate tissues. H4K20me2 methylation levels indicated significant differences in examined tissues except for normal prostate versus PCA tissue. H4K20me1 differentiates CRPC from other prostate tissues. H4K20me1 was significantly correlated with lymph node metastases, and H4K20me2 showed a significant correlation with the Gleason score. However, H4K20 methylation levels failed to predict PSA recurrence after radical prostatectomy. Conclusions H4K20 methylation levels constitute valuable markers for the dynamic process of prostate cancer carcinogenesis.

Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

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Mohammed El Fal

2014-09-01

Full Text Available In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3 Å. The allyl group is disordered over two sites in a 0.512 (6:0.488 (6 ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with an R22(8 graph-set motif.

Photodissociation of C3H5Br and C4H7Br at 234 nm

International Nuclear Information System (INIS)

Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu; Lee, Kyoung Seok

2012-01-01

The photodissociation dynamics of cyclopropyl bromide (C-3H 5 Br) and cyclobutyl bromide (C 4 H 7 Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br( 2 P 3/2 ) and Br*( 2 P 1/2 ) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C 3 H 5 Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C 4 H 7 Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C 3 H 5 Br and C 4 H 7 Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed

Core Histones H2B and H4 Are Mobilized during Infection with Herpes Simplex Virus 1 ▿

Science.gov (United States)

Conn, Kristen L.; Hendzel, Michael J.; Schang, Luis M.

2011-01-01

The infecting genomes of herpes simplex virus 1 (HSV-1) are assembled into unstable nucleosomes soon after nuclear entry. The source of the histones that bind to these genomes has yet to be addressed. However, infection inhibits histone synthesis. The histones that bind to HSV-1 genomes are therefore most likely those previously bound in cellular chromatin. In order for preexisting cellular histones to associate with HSV-1 genomes, however, they must first disassociate from cellular chromatin. Consistently, we have shown that linker histones are mobilized during HSV-1 infection. Chromatinization of HSV-1 genomes would also require the association of core histones. We therefore evaluated the mobility of the core histones H2B and H4 as measures of the mobilization of H2A-H2B dimers and the more stable H3-H4 core tetramer. H2B and H4 were mobilized during infection. Their mobilization increased the levels of H2B and H4 in the free pools and decreased the rate of H2B fast chromatin exchange. The histones in the free pools would then be available to bind to HSV-1 genomes. The mobilization of H2B occurred independently from HSV-1 protein expression or DNA replication although expression of HSV-1 immediate-early (IE) or early (E) proteins enhanced it. The mobilization of core histones H2B and H4 supports a model in which the histones that associate with HSV-1 genomes are those that were previously bound in cellular chromatin. Moreover, this mobilization is consistent with the assembly of H2A-H2B and H3-H4 dimers into unstable nucleosomes with HSV-1 genomes. PMID:21994445

Synthesis of the enantiomers of [3-3H]-2-[[4-[(7-chloro-4-quinolinyl)-amino]pentyl]ethylamino]eth anol, [3-3H]-hydroxychloroquine

International Nuclear Information System (INIS)

Ellames, G.J.; Herbert, J.M.; Peace, J.E.; Smith, D.J.; Wedge, K.J.

1995-01-01

The enantiomers of [3- 3 H]-2-[[4-[(7-chloro-4-quinolinyl)amino] pentyl]ethylamino]ethanol, [3- 3 H]-hydroxychloroquine, (R)-8 and (S)-8, have been prepared in two steps from the known precursors 4,7-dichloro-3-iodoquinoline, and the enantiomers of 2-[(4-aminopentyl) ethyl-amino]ethanol, (R)-2 and (S)-2, by formation of the enantiomers of 2-[[4-[(7-chloro-3-iodo-4-quinolinyl)amino]pentyl]ethylamino] ethanol, (R)-3 and (S)-3, and subsequent reductive deiodination with tritium gas over 10% palladium on charcoal. (Author)

Molecular epidemiology and virulence of Escherichia coli O16:H5-ST131: comparison with H30 and H30-Rx subclones of O25b:H4-ST131.

Science.gov (United States)

Dahbi, Ghizlane; Mora, Azucena; Mamani, Rosalia; López, Cecilia; Alonso, María Pilar; Marzoa, Juan; Blanco, Miguel; Herrera, Alexandra; Viso, Susana; García-Garrote, Fernando; Tchesnokova, Veronika; Billig, Mariya; de la Cruz, Fernando; de Toro, María; González-López, Juan José; Prats, Guillermo; Chaves, Fernando; Martínez-Martínez, Luis; López-Cerezo, Lorena; Denamur, Erick; Blanco, Jorge

2014-11-01

The present study was carried out to evaluate the prevalence of the clonal subgroup O16:H5-ST131 and the H30 and H30-Rx subclones among E. coli isolates causing extraintestinal infections and to know their virulence potential. The ST131 clonal group accounted for 490 (16%) of the 2995 isolates obtained from clinical samples in five Spanish hospitals during the study period (2005-2012). Among those 490 ST131 isolates, 456 belonged to serotype O25b:H4, 27 to O16:H5 and seven were O-non-typeable:H4 (ONT:H4). All 27 O16:H5 isolates showed fimH41, whereas fimH30 and fimH22 alleles were the most frequently detected among O25b:H4 isolates. The majority (381/490; 78%) of ST131 isolates belonged to H30 subclone, and 302 of 381 (79%) H30 isolates belonged to the H30-Rx subclone. Of the 27 O16:H5 isolates, 48% produced CTX-M-14; however, none produced CTX-M-15. In contrast, 46% of O25b:H4 isolates produced CTX-M-15 while only 2% produced CTX-M-14. More than a half of the O16:H5 isolates (56%) showed the ExPEC status which was significantly more prevalent within O25b:H4 isolates (81%) (P<0.01), especially among H30-Rx (97%) isolates. In the present study, a modified virotype scheme was applied within which approximately half (52%) of the O16:H5 isolates showed the C1 specific virotype. Despite their low virulence-gene score (mean of virulence genes 6.4 versus 8.5 in O25b:H4 isolates), six out of the 10 O16:H5 isolates assayed showed high virulence in the mouse model of sepsis (killed 90-100% of mice challenged). Furthermore, four O16:H5 isolates of virotypes A and C1, carrying K2 variant of group II capsule, showed lethality at 24h. Thus, certain O16:H5 fimH41 isolates show a similar in vivo virulence to that reported with the highly virulent O25b:H4 H30-Rx isolates (Mora et al., PLOS ONE 2014, e87025), supporting their potential virulence for humans. Copyright © 2014 Elsevier GmbH. All rights reserved.

1-(4-Fluorophenyl-2-(1H-1,2,4-triazol-1-ylethanone hemihydrate

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Dong-liang Liu

2011-12-01

Full Text Available In the title compound, C10H8FN3O·0.5H2O, the dihedral angle between the mean planes of the rings is 99.80 (4°. The water molecule lies on a twofold axis. Weak intermolecular O—H...N and C—H...O hydrogen bonds link one water molecule with four phenylethanone molecules, while intermolecular C—H...O hydrogen bonds involving the ketone group link phenylethanone molecules into layers parallel to (100.

Monte Carlo Simulation of Electron Transport in 4H- and 6H-SiC

International Nuclear Information System (INIS)

Sun, C. C.; You, A. H.; Wong, E. K.

2010-01-01

The Monte Carlo (MC) simulation of electron transport properties at high electric field region in 4H- and 6H-SiC are presented. This MC model includes two non-parabolic conduction bands. Based on the material parameters, the electron scattering rates included polar optical phonon scattering, optical phonon scattering and acoustic phonon scattering are evaluated. The electron drift velocity, energy and free flight time are simulated as a function of applied electric field at an impurity concentration of 1x10 18 cm 3 in room temperature. The simulated drift velocity with electric field dependencies is in a good agreement with experimental results found in literature. The saturation velocities for both polytypes are close, but the scattering rates are much more pronounced for 6H-SiC. Our simulation model clearly shows complete electron transport properties in 4H- and 6H-SiC.

(4S)-4-(3,4-Dichloro?phen?yl)-1?-methyl-4?-phenyl-3,4-dihydronaphthalene-2-spiro-3?-pyrrolidine-2?-spiro-1??-acenaphthyl?ene-1,2??(2H,1??H)-dione

OpenAIRE

Murugan, R.; Gunasekaran, B.; Narayanan, S. Sriman; Manivannan, V.

2008-01-01

In the title compound, C37H27Cl2NO2, the 3,4-dichloro?phenyl ring makes a dihedral angle of 46.66?(6)? with the phenyl ring. The mol?ecular structure is stabilized by weak intra?molecular C?H?O inter?actions and the crystal structure is stabilized by weak inter?molecular C?H?O inter?actions. The C?C?C?C?C five-membered ring is planar, while the C?C?C?C?N five-membered ring adopts a half-chair conformation.

Individual Impact of Distinct Polysialic Acid Chain Lengths on the Cytotoxicity of Histone H1, H2A, H2B, H3 and H4

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Kristina Zlatina

2017-12-01

Full Text Available Neutrophils are able to neutralize pathogens by phagocytosis, by the release of antimicrobial components, as well as by the formation of neutrophil extracellular traps (NETs. The latter possibility is a DNA-meshwork mainly consisting of highly concentrated extracellular histones, which are not only toxic for pathogens, but also for endogenous cells triggering several diseases. To reduce the negative outcomes initiated by extracellular histones, different approaches like antibodies against histones, proteases, and the polysaccharide polysialic acid (polySia were discussed. We examined whether each of the individual histones is a binding partner of polySia, and analyzed their respective cytotoxicity in the presence of this linear homopolymer. Interestingly, all of the histones (H1, H2A, H2B, H3, and H4 seem to interact with α2,8-linked sialic acids. However, we observed strong differences regarding the required chain length of polySia to bind histone H1, H2A, H2B, H3, and H4. Moreover, distinct degrees of polymerization were necessary to act as a cytoprotective agent in the presence of the individual histones. In sum, the outlined results described polySia-based strategies to bind and/or to reduce the cytotoxicity of individual histones using distinct polySia chain length settings.

Comparative Analyses of H3K4 and H3K27 Trimethylations Between the Mouse Cerebrum and Testis

KAUST Repository

Cui, Peng; Liu, Wanfe; Zhao, Yuhui; Lin, Qiang; Zhang, Daoyong; Ding, Feng; Xin, Chengqi; Zhang, Zhang; Song, Shuhui; Sun, Fanglin; Yu, Jun; Hu, Songnian

2012-01-01

The global features of H3K4 and H3K27 trimethylations (H3K4me3 and H3K27me3) have been well studied in recent years, but most of these studies were performed in mammalian cell lines. In this work, we generated the genome-wide maps of H3K4me3 and H3K

Sequential application of ligand and structure based modeling approaches to index chemicals for their hH4R antagonism.

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Matteo Pappalardo

Full Text Available The human histamine H4 receptor (hH4R, a member of the G-protein coupled receptors (GPCR family, is an increasingly attractive drug target. It plays a key role in many cell pathways and many hH4R ligands are studied for the treatment of several inflammatory, allergic and autoimmune disorders, as well as for analgesic activity. Due to the challenging difficulties in the experimental elucidation of hH4R structure, virtual screening campaigns are normally run on homology based models. However, a wealth of information about the chemical properties of GPCR ligands has also accumulated over the last few years and an appropriate combination of these ligand-based knowledge with structure-based molecular modeling studies emerges as a promising strategy for computer-assisted drug design. Here, two chemoinformatics techniques, the Intelligent Learning Engine (ILE and Iterative Stochastic Elimination (ISE approach, were used to index chemicals for their hH4R bioactivity. An application of the prediction model on external test set composed of more than 160 hH4R antagonists picked from the chEMBL database gave enrichment factor of 16.4. A virtual high throughput screening on ZINC database was carried out, picking ∼ 4000 chemicals highly indexed as H4R antagonists' candidates. Next, a series of 3D models of hH4R were generated by molecular modeling and molecular dynamics simulations performed in fully atomistic lipid membranes. The efficacy of the hH4R 3D models in discrimination between actives and non-actives were checked and the 3D model with the best performance was chosen for further docking studies performed on the focused library. The output of these docking studies was a consensus library of 11 highly active scored drug candidates. Our findings suggest that a sequential combination of ligand-based chemoinformatics approaches with structure-based ones has the potential to improve the success rate in discovering new biologically active GPCR drugs and

Sequential application of ligand and structure based modeling approaches to index chemicals for their hH4R antagonism.

Science.gov (United States)

Pappalardo, Matteo; Shachaf, Nir; Basile, Livia; Milardi, Danilo; Zeidan, Mouhammed; Raiyn, Jamal; Guccione, Salvatore; Rayan, Anwar

2014-01-01

The human histamine H4 receptor (hH4R), a member of the G-protein coupled receptors (GPCR) family, is an increasingly attractive drug target. It plays a key role in many cell pathways and many hH4R ligands are studied for the treatment of several inflammatory, allergic and autoimmune disorders, as well as for analgesic activity. Due to the challenging difficulties in the experimental elucidation of hH4R structure, virtual screening campaigns are normally run on homology based models. However, a wealth of information about the chemical properties of GPCR ligands has also accumulated over the last few years and an appropriate combination of these ligand-based knowledge with structure-based molecular modeling studies emerges as a promising strategy for computer-assisted drug design. Here, two chemoinformatics techniques, the Intelligent Learning Engine (ILE) and Iterative Stochastic Elimination (ISE) approach, were used to index chemicals for their hH4R bioactivity. An application of the prediction model on external test set composed of more than 160 hH4R antagonists picked from the chEMBL database gave enrichment factor of 16.4. A virtual high throughput screening on ZINC database was carried out, picking ∼ 4000 chemicals highly indexed as H4R antagonists' candidates. Next, a series of 3D models of hH4R were generated by molecular modeling and molecular dynamics simulations performed in fully atomistic lipid membranes. The efficacy of the hH4R 3D models in discrimination between actives and non-actives were checked and the 3D model with the best performance was chosen for further docking studies performed on the focused library. The output of these docking studies was a consensus library of 11 highly active scored drug candidates. Our findings suggest that a sequential combination of ligand-based chemoinformatics approaches with structure-based ones has the potential to improve the success rate in discovering new biologically active GPCR drugs and increase the

Direct Rehydrogenation of LiBH4 from H-Deficient Li2B12H12−x

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Yigang Yan

2018-03-01

Full Text Available Li2B12H12 is commonly considered as a boron sink hindering the reversible hydrogen sorption of LiBH4. Recently, in the dehydrogenation process of LiBH4 an amorphous H-deficient Li2B12H12−x phase was observed. In the present study, we investigate the rehydrogenation properties of Li2B12H12−x to form LiBH4. With addition of nanostructured cobalt boride in a 1:1 mass ratio, the rehydrogenation properties of Li2B12H12−x are improved, where LiBH4 forms under milder conditions (e.g., 400 °C, 100 bar H2 with a yield of 68%. The active catalytic species in the reversible sorption reaction is suggested to be nonmetallic CoxB (x = 1 based on 11B MAS NMR experiments and its role has been discussed.

Electrically active defects in n-type 4H- and 6H-SiC

Energy Technology Data Exchange (ETDEWEB)

Doyle, J.P. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics]|[IBM Research Div., T.J. Watson Research Center, Yorktown Heights, NY (United States); Aboelfotoh, M.O. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics]|[North Carolina State Univ., Dept. of Materials Science and Engineering, Raleigh, NC (United States); Svensson, B.G. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics

1998-06-01

We have found that in 6H-SiC, irradiation induced defects can become mobile at temperatures as low as 200 C. Through isochronal and isothermal annealing a level at 0.51 eV below the conduction band (with a capture cross-section of 2 x 10{sup -14} cm{sup 2}), appears to disassociate through a first order process with an activation energy of 1.45 eV+/-0.1 eV. In 4H-SiC, we have observed two irradiation induced defects assigned the positions 0.62 eV and 0.68 eV below E{sub c} (with capture cross-sections of 4 x 10{sup -14} cm{sup 2} and 5 x 10{sup -15} cm{sup 2}, respectively) which are found to be unstable at room temperature with time. SIMS analysis indicates that in both 6H- and 4H-SiC the defect levels are not due to the incorporation of the transition metals Ti, V, or Cr. Additionally, in both polytypes of SiC that were examined, the defects are found to display acceptor-like behavior as no evidence of a Poole-Frenkel shift was observed during DLTS measurements. (orig.) 10 refs.

The Perfect Mindstorm: 4-H Robotics in Afterschool Settings

Directory of Open Access Journals (Sweden)

Dave Francis

2009-12-01

Full Text Available As the 4-H Science, Engineering and Technology (SET Mission Mandate unfolds, robotics provides an opportunity to involve youth in SET activities. Utah 4-H utilized Lego Mindstorms Robotics kits to teach youth about robotics. Evaluations demonstrated that robots increase youth’s interest in science, engineering and technology.

Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Gong, Yun, E-mail: gongyun7211@cqu.edu.cn [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Lin, Jianhua, E-mail: jhlin@pku.edu.cn [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

2016-05-15

4-(4-oxopyridin-1(4 H)-yl)phthalic acid (H{sub 2}L) and three H{sub 2}L-based metal-organic frameworks (MOFs) formulated as ZnL(DPE)(H{sub 2}O)·H{sub 2}O (DPE=(E)-1, 2-di(pyridine −4-yl)ethene) (1), CdL(H{sub 2}O){sub 2} (2) and CdL (3) were synthesized and structurally characterized by single-crystal X-ray diffraction. The free H{sub 2}L ligand shows an enol-form and the L{sup 2−} ligand in the three MOFs exists as the keto-form. Density functional theory (DFT) calculations indicate H{sub 2}L and the three MOFs possess different band structures. Due to the existence of the N-donor, DPE in MOF 1, the conduction band (CB) minimum and band gap of MOF 1 are much lower than those of H{sub 2}L. And MOF 1 yielded much larger photocurrent density than H{sub 2}L upon visible light illumination. Electrochemical impedance spectroscopy (EIS) shows the interfacial charge transfer impedance in the presence of MOF 1 is lower than that in the presence of H{sub 2}L. The hydrous MOF 2 and the anhydrous MOF 3 are both constructed by Cd(II) and L{sup 2−}, and they can be reversibly transformed to each other. However, MOFs 2 and 3 possess different CB minimums and VB maximums, and their band gaps are much larger than that of MOF 1. - Graphical abstract: The free ligand, 4-(4-oxopyridin-1(4H)-yl)phthalic acid (H{sub 2}L) shows different configuration from its three MOFs, and they possess different band structures. MOF 1 yielded much larger visible-light-driven photocurrent density than H{sub 2}L. The hydrous MOF 2 and the anhydrous MOF 3 can be transformed to each other, and they have larger band gaps than MOF 1.

Singlet ground state in the spin-1/2 weakly coupled dimer compound NH4[ (V2O3)2(4,4'-b p y ) 2(H2PO4)(PO4)2] .0.5 H2O

Science.gov (United States)

Arjun, U.; Kumar, Vinod; Anjana, P. K.; Thirumurugan, A.; Sichelschmidt, J.; Mahajan, A. V.; Nath, R.

2017-05-01

We present the synthesis and a detailed investigation of structural and magnetic properties of polycrystalline NH4[(V2O3)2(4,4'-b p y ) 2(H2PO4) (PO4)2] .0.5 H2O by means of x-ray diffraction, magnetic susceptibility, electron spin resonance, and 31P nuclear magnetic resonance measurements. Temperature-dependent magnetic susceptibility could be described well using a weakly coupled spin-1/2 dimer model with an excitation gap Δ /kB≃26.1 K between the singlet ground state and triplet excited states and a weak interdimer exchange coupling J'/kB≃4.6 K. A gapped chain model also describes the data well with a gap of about 20 K. The electron spin resonance intensity as a function of temperature traces the bulk susceptibility nicely. The isotropic Landé g factor is estimated to be about g ≃1.97 , at room temperature. We are able to resolve the 31P NMR signal as coming from two inequivalent P sites in the crystal structure. The hyperfine coupling constant between 31P nucleus and V4 + spins is calculated to be Ahf(1 ) ≃2963 Oe/μB and Ahf(2 ) ≃1466 Oe/μB for the P(1) and P(2) sites, respectively. Our NMR shift and spin-lattice relaxation rate for both the 31P sites show an activated behavior at low temperatures, further confirming the singlet ground state. The estimated value of the spin gap from the NMR data measured in an applied field of H =9.394 T is consistent with the gap obtained from the magnetic susceptibility analysis using the dimer model. Because of a relatively small spin gap, NH4[(V2O3)2(4,4'-b p y ) 2(H2PO4) (PO4)2] .0.5 H2O is a promising compound for further experimental studies under high magnetic fields.

Highly precise (liquid + liquid) equilibrium and heat capacity measurements near the critical point for [Bmim][BF4] + 1H, 1H, 2H, 2H perfluoroctanol

International Nuclear Information System (INIS)

Pérez-Sánchez, G.; Troncoso, J.; Losada-Pérez, P.; Méndez-Castro, P.; Romaní, L.

2013-01-01

Highlights: • Highly precise liquid–liquid curves for [Bmim][BF 4 ] + perfluoroctanol are reported. • Critical behavior of heat capacity for the same system was also characterized. • In contrast to previous results, no coulombic/solvophobic crossover for coexistence curve diameter was found. • The system criticality shows characteristics both solvophobic and coulombic. -- Abstract: Liquid + liquid equilibrium of the system [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol using a highly precise methodology based on refractive index measurements was experimentally determined. In addition, isobaric heat capacity near the critical point was obtained. The performance of the new refractive index set-up was successfully checked against the coexistence curve of the system dimethyl carbonate + decane, since highly accurate data are available in the literature. The choice of [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol was motivated by a previous experimental work, whose results suggest that this system could present characteristics of both solvophobic and coulombic behavior, which are the two categories to which an ionic system can belong. Although this was previously observed for other ionic systems, this mixture presented a very striking feature: the diameter of the coexistence curve seemed to change its criticality in the studied temperature range, from solvophobic far away to coulombic close to the critical point. The results of this work reveal that, in fact, [Bmim][BF 4 ] + 1H, 1H, 2H, 2H perfluoroctanol presents characteristics of both solvophobic and coulombic criticality, but no evidence of the observed crossover over the experimental temperature range has been found

Actoprotective properties of 7'-((3-thio-4-methyl-4H-1,2,4-triazole-5-ylmethyltheophylline derivatives

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A. S. Gotsulya

2016-06-01

Full Text Available The aim of this work was the study of actoprotective activity of compounds, which combine sintons of 1,2,4-triazole-3-thiol and theophylline. Materials and methods. The first time synthesized 7'-((3-thio-4-phenyl-4H-1,2,4-triazole-5-ylmethyltheophylline derivatives have been used for the research. The systemic toxicity and the acute toxicity of the studied compounds have been performed by the rapid method of Prozorovskiy to determine the optimal conditions for dispensing substances. Experiments have been conducted on a group of white nonlinear rats, 159–221 g weight. During the study of actoprotective activity the method of forced immersion in water with a load of 10% by weight of the rats has been used. The substances were administered at a dose 1/10 of LD50, and the reference drug «Riboxin» at a dose of 100 mg/kg. The swim time was recorded in seconds. The control group of animals was used for comparison; these animals received saline solution intraperitoneally 20 minutes before immersion. The obtained results were statistically processed using the standard software package of Microsoft Office 2007 and «STATISTICA@ for Windows 6.0». Results. According to the results of conducted researches it has been established that the most active compound among the studied was 7'-((5-(2-hydroxyethylthio-4-phenyl-4H-1,2,4-triazole-3-ylmethyltheophylline, which increased the duration of swimming by 14.31% comparing to control group, whereas the reference drug increased it by 20.57%. It has been established that 2-((5-((theophylline-7'-ylmethyl-4-phenyl-4H-1,2,4-triazol-3-ylthio-N'-(3,4-difluorobenzylideneacetohydrazide also increases the duration of swimming. Conclusion. The study of actoprotective activity of 13 first time synthesized compounds has been conducted. 7'-((5-(2-Hydroxyethylthio-4-phenyl-4H-1,2,4-triazole-3-ylmethyltheophylline has been detected as the most active compound among the studied ones.

Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

Science.gov (United States)

Wildner, M.; Marinova, D.; Stoilova, D.

2016-02-01

The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

5-Methyl-4-oxo-4,6-dihydro-3H-pyridazino[4,5-b]carbazole-1-carbonitrile

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Norbert Haider

2010-02-01

Full Text Available The title compound was prepared in excellent yield from 5-methyl-4-oxo-4,6-dihydro-3H-pyridazino[4,5-b]carbazole-1-carbaldehyde by treatment with hydroxylamine hydrochloride in formic acid without isolation of the intermediate oxime.

Raman scattering and lattice stability of NaAlH{sub 4} and Na{sub 3}AlH{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Yukawa, H. [Department of Materials Science and Engineering, Graduate School of Engineering, Nagoya University, Chikusa-Ku, Nagoya 464-8603 (Japan)], E-mail: hiroshi@numse.nagoya-u.ac.jp; Morisaku, N.; Li, Y.; Komiya, K.; Rong, R.; Shinzato, Y. [Department of Materials Science and Engineering, Graduate School of Engineering, Nagoya University, Chikusa-Ku, Nagoya 464-8603 (Japan); Sekine, R. [Department of Chemistry, Faculty of Science, Shizuoka University, 836 Ohya, Shizuoka 422-8529 (Japan); Morinaga, M. [Department of Materials Science and Engineering, Graduate School of Engineering, Nagoya University, Chikusa-Ku, Nagoya 464-8603 (Japan)

2007-10-31

In situ Raman spectroscopy measurements have been performed during the decomposition of NaAlH{sub 4} in order to investigate the transition from the four-coordinated complex anion, [AlH{sub 4}]{sup -}, in NaAlH{sub 4} to the six-coordinated complex anion, [AlH{sub 6}]{sup 3-}, in Na{sub 3}AlH{sub 6}. Also, the local geometry and the Al-H vibrations are analyzed theoretically by the first-principle calculations of the electronic structures. It is found that the Raman sift at 1765 cm{sup -1} for the Al-H stretching vibration in NaAlH{sub 4} shifts towards the higher frequency side, 1801 cm{sup -1} upon melting. This Raman spectrum for the liquid phase recovers to the original position when it is cooled down to room temperature before Na{sub 3}AlH{sub 6} start to appear. The Raman peak around 1800 cm{sup -1} is still observed after the decomposition of NaAlH{sub 4} occurs to precipitate Na{sub 3}AlH{sub 6}. However, this peak does not recover to its original position by cooling, but still persists in the sample cooled down to room temperature. From these results, the intermediate transition state during the decomposition of NaAlH{sub 4} into Na{sub 3}AlH{sub 6} is discussed. In addition, it is shown from a series of calculation that the highest frequency of the Al-H vibration correlates with the shortest Al-H bond length in the MAlH{sub 4}-type and its derivative complex hydrides.

1-[3-(4-Chlorophenyl-5-(4-methoxyphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Directory of Open Access Journals (Sweden)

Hoong-Kun Fun

2012-04-01

Full Text Available In the title compound, C18H17ClN2O2, the benzene rings form dihedral angles of 6.69 (6 and 74.88 (5° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5° with each other. In the crystal, molecules are linked via bifurcated (C,C–H...O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C—H...π interactions.

Measuring the Influences of Youth Participation in Ohio 4-H Camps

Directory of Open Access Journals (Sweden)

Greg Homan

2008-06-01

Full Text Available Findings from a multi-component 4-H camp marketing and enrollment study of Ohio 4-H camps are highlighted. Significant influencers on the camp enrollment decision (parents, other adults, peers, siblings, and the respective camper are evaluated as well as the effectiveness of various marketing techniques. The data found in this study indicates that the decision to enroll in camp is most influenced by the respective 4-H camper; however parents are also a strong factor in the choice to participate in 4-H camps. Alumni parents report significantly higher influence in the camp enrollment decision than those parents who are not alumni of 4-H. Personal methods of promoting camps were rated the most effective in reaching potential camp audiences.

High pressure oxidation of C2H4/NO mixtures

DEFF Research Database (Denmark)

Giménez-López, J.; Alzueta, M.U.; Rasmussen, C.T.

2011-01-01

An experimental and kinetic modeling study of the interaction between C2H4 and NO has been performed under flow reactor conditions in the intermediate temperature range (600–900K), high pressure (60bar), and for stoichiometries ranging from reducing to oxidizing conditions. The main reaction...... pathways of the C2H4/O2/NOx conversion, the capacity of C2H4 to remove NO, and the influence of the presence of NOx on the C2H4 oxidation are analyzed. Compared to the C2H4/O2 system, the presence of NOx shifts the onset of reaction 75–150K to lower temperatures. The mechanism of sensitization involves...... the reaction HOCH2CH2OO+NO→CH2OH+CH2O+NO2, which pushes a complex system of partial equilibria towards products. This is a confirmation of the findings of Doughty et al. [3] for a similar system at atmospheric pressure. Under reducing conditions and temperatures above 700K, a significant fraction of the NOx...

Hydrated aluminophosphate (AlPO/sub 4/. 1. 5H/sub 2/O) with PO/sub 4/, AlO/sub 4/ and AlO/sub 4/(H/sub 2/O)/sub 2/ groups and encapsulated water

Energy Technology Data Exchange (ETDEWEB)

Pluth, J.J.; Smith, J.V.

1986-09-15

Aluminium phosphate hydrate, AlPO/sub 4/ /sub ./ 1.5H/sub 2/O, M/sub r/=148.98, orthorhombic, Pbca, a=19.3525(13), b=9.7272(7), c=9.7621(8) A, V=1837.7(1) A/sup 3/, Z=16, D/sub x/=2.15 g cm/sup -3/, lambda(CuK..cap alpha..)=1.5418 A, ..mu..=68.2 cm/sup -1/, F(000)=1200, Tproportional to 295 K, R=0.033 for 1530 diffractions. A 4-connected framework contains PO/sub 4/ tetrahedra interposed between AlO/sub 4/ tetrahedra and AlO/sub 4/(H/sub 2/O)/sub 2/ octahedra at the nodes of cross-linked alternate 6/sup 3/ and 4.8/sup 2/ nets. A two-dimensional channel system, limited by 8-rings, lies between adjacent 6/sup 3/ nets. One H/sub 2/O of each octahedron lies in a 6-ring, and the other forms a continuous chain with a third H/sub 2/O which is held in place only by hydrogen bonds.

Enhancer-associated H3K4 monomethylation by trithorax-related, the drosophila homolog of mammalian MLL3/MLL4

NARCIS (Netherlands)

H.-M. Herz (Hans-Martin); M. Mohan (Man); A.S. Garruss (Alexander); K. Liang (Kaiwei); Y.-H. Takahashi (Yoh-hei); K. Mickey (Kristen); O. Voets (Olaf); C.P. Verrijzer (Peter); A. Shilatifard (Ali)

2012-01-01

textabstractMonomethylation of histone H3 on Lys 4 (H3K4me1) and acetylation of histone H3 on Lys 27 (H3K27ac) are histone modifications that are highly enriched over the body of actively transcribed genes and on enhancers. Although in yeast all H3K4 methylation patterns, including H3K4me1, are

Enhancer-associated H3K4 monomethylation by Trithorax-related, the Drosophila homolog of mammalian Mll3/Mll4.

Science.gov (United States)

Herz, Hans-Martin; Mohan, Man; Garruss, Alexander S; Liang, Kaiwei; Takahashi, Yoh-Hei; Mickey, Kristen; Voets, Olaf; Verrijzer, C Peter; Shilatifard, Ali

2012-12-01

Monomethylation of histone H3 on Lys 4 (H3K4me1) and acetylation of histone H3 on Lys 27 (H3K27ac) are histone modifications that are highly enriched over the body of actively transcribed genes and on enhancers. Although in yeast all H3K4 methylation patterns, including H3K4me1, are implemented by Set1/COMPASS (complex of proteins associated with Set1), there are three classes of COMPASS-like complexes in Drosophila that could carry out H3K4me1 on enhancers: dSet1, Trithorax, and Trithorax-related (Trr). Here, we report that Trr, the Drosophila homolog of the mammalian Mll3/4 COMPASS-like complexes, can function as a major H3K4 monomethyltransferase on enhancers in vivo. Loss of Trr results in a global decrease of H3K4me1 and H3K27ac levels in various tissues. Assays with the cut wing margin enhancer implied a functional role for Trr in enhancer-mediated processes. A genome-wide analysis demonstrated that Trr is required to maintain the H3K4me1 and H3K27ac chromatin signature that resembles the histone modification patterns described for enhancers. Furthermore, studies in the mammalian system suggested a role for the Trr homolog Mll3 in similar processes. Since Trr and mammalian Mll3/4 complexes are distinguished by bearing a unique subunit, the H3K27 demethylase UTX, we propose a model in which the H3K4 monomethyltransferases Trr/Mll3/Mll4 and the H3K27 demethylase UTX cooperate to regulate the transition from inactive/poised to active enhancers.

A Layered Solution Crystal Growth Technique and the Crystal Structure of (C 6H 5C 2H 4NH 3) 2PbCl 4

Science.gov (United States)

Mitzi, D. B.

1999-07-01

Single crystals of the organic-inorganic perovskite (C6H5C2H4NH3)2PbCl4 have been grown at room temperature using a layered solution approach. The bottom solution layer, contained within a long straight tube, consists of PbCl2 dissolved in concentrated aqueous HCl. A less dense layer of methanol is carefully placed on top of the HCl/PbCl2 solution using a syringe. Finally, a stoichiometric quantity of C6H5C2H4NH2 (relative to the PbCl2) is added to the top of the column. As the layers slowly diffuse together, well-formed crystals of (C6H5C2H4NH3)2PbCl4 appear near the interface between the HCl/PbCl2 and C6H5C2H4NH2 solutions. The thick, plate-like crystals are well suited for X-ray crystallography studies. Room temperature intensity data were refined using a triclinic (Poverline1) cell (a=11.1463(3) Å, b=11.2181(3) Å, c=17.6966(5) Å, α= 99.173(1)°, β=104.634(1)°, γ=89.999(1)°, V=2111.8(1) Å3, Z=4, Rf/Rw=0.031/0.044). The organic-inorganic layered perovskite structure features well-ordered sheets of corner-sharing distorted PbCl6 octahedra separated by bilayers of phenethylammonium cations. Tilting and rotation of the PbCl6 octahedra within the perovskite sheets, coupled with organic cation ordering, leads to the unusual in-sheet 2ap×2ap superstructure, where ap is the lattice constant for the ideal cubic perovskite.

Synthesis of binuclear rhodacarboranes from dianions 1,4- and 1,3-C6H4(CH2-9-C2H2B9H9-7,8-nido)22- and (Ph3P)3RhCl

International Nuclear Information System (INIS)

Zakharkin, L.I.; Zhigareva, G.G.

1996-01-01

Dianions 1,4 and 1,3-C 6 H 4 (CH 2 -9-C 2 H 2 B 9 H 9 -7,8-nido) 2 2- obtained from nido 7,8-dicarbollide-ion and 1,4-bis(bromomethyl) and 1,3-bis(bromomethyl)benzenes react with (Ph 3 P) 3 RhCl to give binuclear rhodacarboranes, 1,4- and 1,3-[3,3-(Ph 3 P) 2 -3-H-3,1,2-RhC 2 B 9 H 10 -4-CH 2 ] 2 C 6 H 6 with chemical reaction yield 85% and 87% respectively. 7 refs., 1 fig., 1 tab

Council of Presidents: A Multifaceted Idea for 4-H

Science.gov (United States)

Torretta, Alayne

2015-01-01

Communication between 4-H professionals and the youth they work with is an important part of a successful 4-H program. By creating a Council of Presidents comprised of officers of all the clubs in your county, you can increase communication while assuring your program addresses all four essential elements. The Council is also as a vehicle for…

26 CFR 31.3402(h)(4)-1 - Other methods.

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 15 2010-04-01 2010-04-01 false Other methods. 31.3402(h)(4)-1 Section 31.3402... Collection of Income Tax at Source § 31.3402(h)(4)-1 Other methods. (a) Maximum permissible deviations. An employer may use any other method of withholding under which the employer will deduct and withhold upon...

New Mononuclear Cu(II Complexes and 1D Chains with 4-Amino-4H-1,2,4-triazole

Directory of Open Access Journals (Sweden)

Marinela M. Dîrtu

2013-12-01

Full Text Available The crystal structures of two mononuclear Cu(II NH2trz complexes [Cu(NH2trz4(H2O](AsF62 (I and [Cu(NH2trz4(H2O](PF62 (II as well as two coordination polymers [Cu(μ2-NH2trz2Cl]Cl∙H2O (III and [Cu(μ2-NH2trz2Cl] (SiF60.5∙1.5H2O (IV are presented. Cationic 1D chains with bridging bis-monodentate μ2-coordinated NH2trz and bridging μ2-coordinated chloride ligands are present in III and IV. In these coordination polymers, the Cu(II ions are strongly antiferromagnetically coupled with J = −128.4 cm−1 for III and J = −143 cm−1 for IV (H = −JΣSiSi+1, due to the nature of the bridges between spin centers. Inter-chain interactions present in the crystal structures were taken into consideration, as well as g factors, which were determined experimentally, for the quantitative modeling of their magnetic properties.

The crystal structure of ianthinite, [U24+(UO2)4O6(OH)4(H2O)4](H2O)5: a possible phase for Pu4+ incorporation during the oxidation of spent nuclear fuel

International Nuclear Information System (INIS)

Burns, P.C.; Hawthorne, F.C.; Miller, M.L.; Ewing, R.C.

1997-01-01

Ianthinite, [U 4+ 2 (UO 2 ) 4 O 6 (OH) 4 (H 2 O) 4 ](H 2O) 5 , is the only known uranyl oxide hydrate mineral that contains U 4+ , and it has been proposed that ianthinite may be an important Pu 4+ -bearing phase during the oxidative dissolution of spent nuclear fuel. The crystal structure of ianthinite, orthorhombic, a=0.7178(2), b=1.1473(2), c=3.039(1) nm, V=2.5027 nm 3 , Z=4, space group P2 1 cn, has been solved by direct methods and refined by least-squares methods to an R index of 9.7% and a wR index of 12.6% using 888 unique observed [ vertical stroke F vertical stroke ≥5σ vertical stroke F vertical stroke ] reflections. The structure contains both U 6+ and U 4+ . The U 6+ cations are present as roughly linear (U 6+ O 2 ) 2+ uranyl ions (Ur) that are in turn coordinated by five O 2- and OH - located at the equatorial positions of pentagonal bipyramids. The U 4+ cations are coordinated by O 2- , OH - and H 2 O in a distorted octahedral arrangement. The Urφ 5 and U 4+ φ 6 (φ: O 2- , OH - , H 2 O) polyhedra link by sharing edges to form two symmetrically distinct sheets at z∼0.0 and z∼0.25 that are parallel to (001). The sheets have the β-U 3 O 8 sheet anion-topology. There are five symmetrically distinct H 2 O groups located at z∼0.125 between the sheets of Uφ n polyhedra, and the sheets of Uφ n polyhedra are linked together only by hydrogen bonding to the intersheet H 2 O groups. The crystal-chemical requirements of U 4+ and Pu 4+ are very similar, suggesting that extensive Pu 4+ U 4+ substitution may occur within the sheets of Uφ n polyhedra in the structure of ianthinite. (orig.)

rac-6-Hydroxy-4-(4-nitrophenyl-5-(2-thienylcarbonyl-6-(trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1H-one monohydrate

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Jian-Li Zhang

2010-11-01

Full Text Available The title compound, C16H12F3N3O5S·H2O, was prepared by reaction of 4-nitrobenzaldehyde, 4,4,4-trifluoro-1-(thiophen-2-ylbutane-1,3-dione and urea. The asymmetric unit contains two independent molecules, with essentially identical geometries and conformations. The dihydropyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thiophene ring are 54.82 (8 and 58.72 (8° in the two molecules. The molecular conformation of one of the molecules is stabilized by two intramolecular O—H...O hydrogen bonds, generating an S(6 ring. The crystal structure is stabilized by intermolecular O—H...O and N—H...O hydrogen bonds.

Synthesis of leukotrienes labelled with deuterium: [11,12,14,15-2H4]-LTA4, -LTC4, -LTD4 and -LTE4

International Nuclear Information System (INIS)

Lellouche, J.P.; Aubert, F.; Noel, J.P.; Boullais, C.; Beaucourt, J.P.

1989-01-01

Semi-hydrogenation by D 2 gas on Lindlar catalyst of an acetylenic precursor led to [11,12,14,15- 2 H 4 ]-LTA 4 methyl ester. Nucleophilic opening of the epoxide ring by amino thioacids accorded, after saponification, the corresponding deuterated peptidoleukotrienes LTC 4 , LTD 4 and LTE 4 . (author)

4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylphenylmethyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H-one ethanol hemisolvate

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Hoong-Kun Fun

2009-01-01

Full Text Available The asymmetric unit of the title compound, C27H24N4O2·0.5C2H6O, comprises two crystallographically independent molecules (A and B with slightly different conformations, and one ethanol molecule of crystallization. Intramolecular C—H...O and O—H...O hydrogen bonds generate six- and eight-membered rings, producing S(6 and S(8 ring motifs, respectively. In molecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11 and 0.458 (11. The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9 and 82.6 (2/88.9 (2° in molecule A, and 80.81 (8 and 79.38 (8° in molecule B. In the crystal structure, molecules form infinite one-dimensional chains in the (101 plane. The crystal structure is stabilized by intermolecular O—H...N, N—H...N, N—H...O and C—H...O hydrogen bonds, weak C—H...π and π–π [centroid–centroid = 3.5496 (1 Å] interactions.

4-H Programs with a Focus on Including Youth with Disabilities.

Science.gov (United States)

Stumpf, Mitzi; Henderson, Karla; Luken, Karen; Bialeschki, Deb; Casey, Mary, II

2002-01-01

Intentionally Inclusive 4-H Club Programs is a pilot project intended to create accessible 4-H environments for people with disabilities. An experiential curriculum for 9-12 year-olds was developed and used in three North Carolina counties. Formative evaluation showed how 4-H staff are raising awareness and involving youth and volunteers with…

Synthesis, physical and chemical properties of 2-((4-R-3-(morfolinomethylen-4H-1,2,4-triazole-5-ylthioacetic acid salts

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R. О. Shcherbyna

2017-04-01

Full Text Available Today’s medicine and pharmacy undoubtedly need new and effective drugs. The 1,2,4-triazole derivatives occupy a special place among the wide variety of active organic compounds. This interest is caused primarily by high biological activity of these derivatives, low toxicity and high accessibility in terms of synthesis. Thus, drugs from 1,2,4-triazoles are known and are used extensively in medicine. It is important that a sufficiently large number of scientists-synthetics are paying attention on the heterocyclic system. Although a huge amount of information in the scientific literature is devoted to the 1,2,4-triazole derivatives, the 2-((4-R-3-(morfolinometylen-4H-1,2,4-triazole-5-ylthioacetic acid salts are virtually unexplored. The purpose of the work. Synthesis and establishing of the physical and chemical parameters of new 2-((4-R-3-(morfolinometylen-4H-1,2,4-triazole-5-ylthioacetic acid salts. Materials and methods. The study of physical and chemical properties of the obtained compounds was conducted by the methods that are listed in the State Pharmacopoeia of Ukraine 2.0. The melting point was defined on the device which determines the melting point MPA100. The elemental composition of the compounds was found on the analyzer Elementar Vario ЕL cube (CHNS . 1H NMR specters of obtained compounds were recorded by using a spectrometer Varian Mercury VX-200 (1H, 200 MHz and decrypted by a computer program SpinWorks 3.1.8. Chromatography-mass spectral studies were conducted on the gas-liquid chromatograph Agilent 1260 Infinity HPLC equipped with a mass spectrometer Agilent 6120 (ionization in electrospray (ESI. Results and discussion. As the source (starting compounds 2-((4-R-3-(morfolinometylen-4H-1,2,4-triazole-5-ylthioacetic acids (where, R = H, CH3, C2H5, C6H5, NH2 were taken. Further, by the action of ammonia hydroxide, sodium and potassium hidrogen carbonates, piperidine, morpholine, methylamine, monoethanolamine and tributylamine in

Distinct signalling pathways of murine histamine H1- and H4-receptors expressed at comparable levels in HEK293 cells.

Directory of Open Access Journals (Sweden)

Silke Beermann

Full Text Available Histamine (HA is recognized by its target cells via four G-protein-coupled receptors, referred to as histamine H1-receptor (H1R, H2R, H3R, and H4R. Both H1R and H4R exert pro-inflammatory functions. However, their signal transduction pathways have never been analyzed in a directly comparable manner side by side. Moreover, the analysis of pharmacological properties of the murine orthologs, representing the main targets of pre-clinical research, is very important. Therefore, we engineered recombinant HEK293 cells expressing either mouse (mH1R or mH4R at similar levels and analyzed HA-induced signalling in these cells. HA induced intracellular calcium mobilization via both mH1R and mH4R, with the mH1R being much more effective. Whereas cAMP accumulation was potentiated via the mH1R, it was reduced via the mH4R. The regulation of both second messengers via the H4R, but not the H1R, was sensitive to pertussis toxin (PTX. The mitogen-activated protein kinases (MAPKs ERK 1/2 were massively activated downstream of both receptors and demonstrated a functional involvement in HA-induced EGR-1 gene expression. The p38 MAPK was moderately activated via both receptors as well, but was functionally involved in HA-induced EGR-1 gene expression only in H4R-expressing cells. Surprisingly, in this system p38 MAPK activity reduced the HA-induced gene expression. In summary, using this system which allows a direct comparison of mH1R- and mH4R-induced signalling, qualitative and quantitative differences on the levels of second messenger generation and also in terms of p38 MAPK function became evident.

Design, synthesis and anticonvulsant activity evaluation of 7-substituted-4H-[1,2,4]triazino[3,4-alpha]phthalazin-4-one derivatives

Energy Technology Data Exchange (ETDEWEB)

Sun, Xian-Yu; Quan, Zhe-Shan [Yanbian Univ., Yanji, Jilin (China). Key Lab. of Organism Functional Factors of the Changbai Mountain; Yanbian Univ., Yanji, Jilin (China). Coll. of Pharmacy; Guan, Li-Ping; Zhang, Lei; Wei, Cheng-Xi; Piao, Hu-Ri [Yanbian Univ., Yanji, Jilin (China). Key Lab. of Organism Functional Factors of the Changbai Mountain

2009-07-01

In this study, a novel series of 7-substituted-4H-[1,2,4]triazino[3,4-a]phthalazin-4-one derivatives was synthesized as potential anticonvulsant agents. Their anticonvulsant activities were evaluated by the maximal electroshock (MES) test, and their neurotoxicities were evaluated by the rotarod neurotoxicity test. The pharmacological results showed that 7-hexyloxy-4H-[1,2,4]triazino[3,4-alpha]phthalazin-4-one 4e was the most potent with median effective dose (ED{sub 50}) value of 6.6 mg kg-1, median toxicity dose (TD{sub 50}) of 39.4 mg kg{sup -1}, providing a protective index (PI=TD{sub 50} /ED{sub 50}) value of 6.0. (author)

Catalytic activity of Cu4-cluster to adsorb H2S gas: h-BN nanosheet

Science.gov (United States)

Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh

2018-05-01

We have investigated the electronic properties, adsorptions strength and charge transfer using first principles calculations using density functional theory (DFT). The hexagonal boron nitride (h-BN) substrate shows metallic behavior, which helps to enhance the absorption process. The adsorption of three different orientations (S, D and T) of the H2S gas molecules to analyze the maximum adsorption strength from them onto a copper cluster (Cu4) based on h-BN nanosheet. The maximum adsorption energy of the H2S gas molecule is -1.50 eV for the S orientation and for D and U, it is -0.71 eV and -0.78 eV, respectively. The results show that Cu4 cluster helps to capture H2S gas from the environment and results are useful for the cleaning environment from the toxic gases.

Obtention of agricultural gypsum traced on 34 S (Ca34 SO4.2H2O), by chemical reaction between H234 SO4 and Ca(OH)2

International Nuclear Information System (INIS)

Rossete, Alessandra L.R.M.; Bendassolli, Jose A.; Ignoto, Raquel de Fatima; Batagello, Hugo Henrique

2002-01-01

The gypsum (CaSO 4 .2H 2 O) has double function in the soil: as source of calcium and sulfur and reducing agent of aluminum saturation. The sulfur for the plants has acting in the vital functions and it is proven fact increase of the S deficiency in Brazilian soils. The isotope tracer 34 S can elucidate important aspects in the sulfur cycle. The Ca 34 SO 4 .2H 2 O was obtained by chemical reaction between Ca(OH) 2 and H 2 34 SO 4 solution. The acid was obtained by chromatography ionic change, using cationic resin Dowex 50WX8 and Na 2 34 SO 4 solution. The reaction was realized under slow agitation. After the reaction, the precipitate was separated and dried in ventilated stove at 60 deg C temperature. The Mass of the Ca 34 SO 4 .2H 2 O produced was determined by method gravimetric. This way, a system contends resin 426 cm 3 , considering volume of 2.2 liters can be obtained a solution contends 44.2 g of H 2 34 SO 4 , theoretically could be produced 78.0 g of Ca 34 SO 4 .2H 2 O approximately. With results of the tests were verified that there was not total precipitation of the Ca 34 SO 4 .2H 2 O. Were produced 73.7± 0.6 g of Ca 34 SO 4 .2H 2 O representing average income 94.6±0.8 %. The purity of the produced CaSO 4 .2H 2 O was 98%. (author)

DAXX-dependent supply of soluble (H3.3-H4) dimers to PML bodies pending deposition into chromatin.

Science.gov (United States)

Delbarre, Erwan; Ivanauskiene, Kristina; Küntziger, Thomas; Collas, Philippe

2013-03-01

Replication-independent chromatin deposition of histone variant H3.3 is mediated by several chaperones. We report a multistep targeting of newly synthesized epitope-tagged H3.3 to chromatin via PML bodies. H3.3 is recruited to PML bodies in a DAXX-dependent manner, a process facilitated by ASF1A. DAXX is required for enrichment of ATRX, but not ASF1A or HIRA, with PML. Nonetheless, the chaperones colocalize with H3.3 at PML bodies and are found in one or more complexes with PML. Both DAXX and PML are necessary to prevent accumulation of a soluble, nonincorporated pool of H3.3. H3.3 targeting to PML is enhanced with an (H3.3-H4)2 tetramerization mutant of H3.3, suggesting H3.3 recruitment to PML as an (H3.3-H4) dimer rather than as a tetramer. Our data support a model of DAXX-mediated recruitment of (H3.3-H4) dimers to PML bodies, which may function as triage centers for H3.3 deposition into chromatin by distinct chaperones.

Hydrogen constituents of the mesosphere inferred from positive ions - H2O, CH4, H2CO, H2O2, and HCN

Science.gov (United States)

Kopp, E.

1990-01-01

The concentrations in the mesosphere of H2O, CH4, H2CO, H2O2, and HCN were inferred from data on positive ion compositions, obtained from one mid-latitude and four high-latitude rocket flights. The inferred concentrations were found to agree only partially with the ground-based microwave measurements and/or model prediction by Garcia and Solomon (1985). The CH4 concentration was found to vary between 70 and 4 ppb in daytime and 900 and 100 ppbv at night, respectively. Unexpectedly high H2CO concentrations were obtained, with H2CO/H2O ratios between 0.0006 and 0.1, and a mean HCN volume mixing ratio of 6 x 10 to the -10th was inferred.

Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

International Nuclear Information System (INIS)

Ahmad, Bhat Zahoor; Want, Basharat

2016-01-01

We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C 4 H 5 O 6 )(C 4 H 4 O 6 )][3H 2 O]. X-ray crystal structure analyses reveal that it crystallizes in the P4 1 2 1 2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

[6-chloro-3-pyridylmethyl-{sup 3}H]neonicotinoids as high-affinity radioligands for the nicotinic acetylcholine receptor: preparation using NaB{sup 3}H{sub 4} and LiB{sup 3}H{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Latli, Bachir; Casida, J.E. [California Univ., Berkeley, CA (United States). Dept. of Environmental Science Policy and Management; Chit Than; Morimoto, Hiromi; Williams, P.G. [Lawrence Berkeley National Lab., CA (United States)

1996-11-01

NaB{sup 3}H{sub 4} and LiB{sup 3}H{sub 4} at 78% and 97% isotopic enrichments, respectively, were used in the synthesis of {sup 3}H-labeled 1-(6-chloro-3-pyridyl)-methyl-2-nitromethyleneimidazolidine (CH-IMI) and N`-[(6-chloro-3-pyridyl)methyl]-n``-cyano-n`-methylacetamidine (acetamiprid) (two very potent insecticides) and of 1-(6-chloro-3-pyridyl)methyl-2-iminoimidazolidine (desnitro-IMI) (a metabolite of the commercial insecticides imidacloprid). 6-Chloronicotinoyl chloride was treated with either NaB{sup 3}H{sub 4} in methanol or LiB{sup 3}H{sub 4} in tetrahydrofuran and the resulting alcohol transformed to 2-chloro-5-chloromethylpyridine, which was then coupled to N-cyano-N`-methylacetamidine to give [{sup 3}H] acetamiprid (45 Ci/mmol). 2-Chloro-5-chloro[{sup 3}H]methylpyridine was also reacted with ethylenediamine and the product was either refluxed in absolute ethanol with 1,1-bis(methylthio)-2-nitro-ethylene to provide [{sup 3}H]CH-IMI or reacted in toluene with a solution of cyanogen bromide to produce [{sup 3}H] desnitro-IMI (each 55 Ci/mmol). (author).

Polymeric anionic networks using dibromine as a crosslinker; the preparation and crystal structure of [(C4H9)4N]2[Pt2Br10].(Br2)7 and [(C4H9)4N]2[PtBr4Cl2].(Br2)6.

Science.gov (United States)

Berkei, Michael; Bickley, Jamie F; Heaton, Brian T; Steiner, Alexander

2002-09-21

The reaction of M[PtX3(CO)] (M+ = [(C4H9)4N]+, X = Br, Cl) with an excess of Br2 gives the new platinum(IV) salts, [(C4H9)4N]2[Pt2Br10].(Br2)7, 1, and [(C4H9)4N]2[PtBr4Cl2].(Br2)6, 2, which, in the solid state, contain strong Br Br interactions resulting in the formation of polymeric networks; they could provide useful solid storage reservoirs for elemental bromine.

Ethyl 4-oxo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

Directory of Open Access Journals (Sweden)

Cevher Gündoğdu

2011-06-01

Full Text Available In the title compound, C15H15NO3, the carbazole skeleton includes an ethoxycarbonyl group at the 3-position. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 0.89 (4°. The cyclohexenone ring has an envelope conformation. In the crystal, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules into a three dimensional network. A weak C—H...π interaction is also observed.

Experimental investigation of slow-positron emission from 4H-SiC and 6H-SiC surfaces

International Nuclear Information System (INIS)

Ling, C.C.; Beling, C.D.; Fung, S.; Weng, H.M.

2002-01-01

Slow-positron emission from the surfaces of as-grown n-type 4H-SiC and 6H-SiC (silicon carbide) with a conversion efficiency of ∼10 -4 has been observed. After 30 min of 1000 deg. C annealing in forming gas, the conversion efficiency of the n-type 6H-SiC sample was observed to be enhanced by 75% to 1.9x10 -4 , but it then dropped to ∼10 -5 upon a further 30 min annealing at 1400 deg. C. The positron work function of the n-type 6H-SiC was found to increase by 29% upon 1000 deg. C annealing. For both p-type 4H-SiC and p-type 6H-SiC materials, the conversion efficiency was of the order of ∼10 -5 , some ten times lower than that for the n-type materials. This was attributed to the band bending at the p-type material surface which caused positrons to drift away from the positron emitting surface. (author)

The synthesis of [4-3H]oxiracetam - a novel nootropic agent

International Nuclear Information System (INIS)

Crowe, A.M.; Lawrie, K.W.M.; Saunders, D.; Pfeiffer, U.

1991-01-01

The synthesis of [4- 3 H]oxiracetam from ethyl 2-(4-chloro-3-oxo-butyramido)acetate is described. Ethyl 2-(4-chloro-3-oxo-butyramido)-acetate was reduced with sodium borotritide at Amersham International plc to give ethyl 2-(4-chloro-[3- 3 H]-3-hydroxy-butyramido)acetate. This was elaborated, in four steps, to [4- 3 H]oxiracetam in 4.8% overall radiochemical yield, furnishing 5735 μCi, 212 MBq, 41.8 μg, of specific activity 21.7 Ci/mmol, 802.9 GBq/mmol, and radiochemical purity of greater than 98%. (author)

Picture This: 4-H Press Corps Builds Life Skills

Science.gov (United States)

Clary, Christy D.

2018-01-01

A picture is worth a thousand words! Extension professionals are often looking for the picture that best captures an event and tells its story. Look beneath the surface, though, and a picture is worth much more. Developing a 4-H press corps results in a collection of useful photos but has the added benefit of providing 4-H members with an…

Synthesis of 2-amino-4H-chromene derivatives under microwave ...

Indian Academy of Sciences (India)

ing method to construct the 2-amino-4H-chromene skeleton. 2. Experimental. 2.1 Materials and methods .... ing 2-amino-4H-chromene (3a–r) derivatives in good .... Students. Supplementary information. The electronic supporting information ...

Comparative Analyses of H3K4 and H3K27 Trimethylations Between the Mouse Cerebrum and Testis

KAUST Repository

Cui, Peng

2012-06-08

The global features of H3K4 and H3K27 trimethylations (H3K4me3 and H3K27me3) have been well studied in recent years, but most of these studies were performed in mammalian cell lines. In this work, we generated the genome-wide maps of H3K4me3 and H3K27me3 of mouse cerebrum and testis using ChIP-seq and their high-coverage transcriptomes using ribominus RNA-seq with SOLiD technology. We examined the global patterns of H3K4me3 and H3K27me3 in both tissues and found that modifications are closely-associated with tissue-specific expression, function and development. Moreover, we revealed that H3K4me3 and H3K27me3 rarely occur in silent genes, which contradicts the findings in previous studies. Finally, we observed that bivalent domains, with both H3K4me3 and H3K27me3, existed ubiquitously in both tissues and demonstrated an invariable preference for the regulation of developmentally-related genes. However, the bivalent domains tend towards a “winner-takes-all” approach to regulate the expression of associated genes. We also verified the above results in mouse ES cells. As expected, the results in ES cells are consistent with those in cerebrum and testis. In conclusion, we present two very important findings. One is that H3K4me3 and H3K27me3 rarely occur in silent genes. The other is that bivalent domains may adopt a “winner-takes-all” principle to regulate gene expression.

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...

On the inhibition of mild steel corrosion by 4-amino-5-phenyl-4H-1, 2, 4-trizole-3-thiol

International Nuclear Information System (INIS)

Musa, Ahmed Y.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar; Takriff, Mohd Sobri; Daud, Abdul Razak; Kamarudin, Siti Kartom

2010-01-01

The corrosion inhibition of mild steel in a 2.5 M H 2 SO 4 solution by 4-amino-5-phenyl-4H-1, 2, 4-trizole-3-thiol (APTT) was studied at different temperatures, utilising open circuit potential, potentiodynamic and impedance measurements. The results indicate that APTT performed as an excellent mixed-type inhibitor for mild steel corrosion in a 2.5 M H 2 SO 4 solution and that the inhibition efficiencies increased with the inhibitor concentration but decreased proportionally with temperature. The kinetic and thermodynamic parameters for adsorption of APTT on the mild steel surface were calculated. A chemisorption mechanism of APTT molecules on the mild steel surface was proposed based on the thermodynamic adsorption parameters.

Ab initio study of {sup 2}H(d,{gamma}){sup 4}He, {sup 2}H(d,p){sup 3}H, and {sup 2}H(d,n){sup 4}He reactions and the tensor force

Energy Technology Data Exchange (ETDEWEB)

Arai, K.; Aoyama, S.; Suzuki, Y.; Descouvemont, P.; Baye, D. [Division of General Education, Nagaoka National College of Technology, 888 Nishikatakai, Nagaoka, Niigata, 940-8532 (Japan); Center for Academic Information Service, Niigata University, Niigata 950-2181 (Japan); Department of Physics, Niigata University, Niigata 950-2181, Japan and RIKEN Nishina Center, Wako 351-0198 (Japan); Physique Nucleaire Theorique et Physique Mathematique, C.P.229, Universite Libre de Bruxelles, B 1050 Brussels (Belgium); Physique Quantique, CP165/82, Universite Libre de Bruxelles, B-1050 Brussels (Belgium)

2012-11-12

The {sup 2}H(d,p){sup 3}H, {sup 2}H(d,n){sup 3}He, and {sup 2}H(d,{gamma}){sup 4}He reactions at low energies are studied with realistic nucleon-nucleon interactions in an ab initio approach. The obtained astrophysical S-factors are all in very good agreement with experiment. The most important channels for both transfer and radiative capture are all found to dominate thanks to the tensor force.

B7-H4 as a Target for Breast Cancer Immunotherapy

Science.gov (United States)

2013-06-01

papain proteinase K pronase trypsin B7-H4R B """""" B7-H4R-APC CD25-FITC...Figure 5. B7-H4 receptor is protease resistant. Karpas 299 cells were treated with 0.3 mg/mL papain , 0.025 mg/mL proteinase K, 0.15 mg/mL pronase

Synthesis, Crystal Structure, DFT Study and Antifungal Activity of 4-(5-((4-Bromobenzyl thio-4-Phenyl-4H-1,2,4-Triazol-3-ylpyridine

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Jin-Xia Mu

2015-12-01

Full Text Available The title compound 4-(5-((4-bromobenzylthio-4-phenyl-4H-1,2,4-triazol-3-ylpyridine (C20H15BrN4S was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and single-crystal X-ray structure determination. It crystallizes in the triclinic space group P-1 with a = 7.717(3, b = 9.210(3, c = 13.370(5 Å, α = 80.347(13, β = 77.471(13, γ = 89.899(16°, V = 913.9(6 Å3, Z = 2 and R = 0.0260 for 3145 observed reflections with I > 2σ(I. A Density functional theory (DFT (B3LYP/6-31G calculation of the title molecule was carried out. The full geometry optimization was carried out using a 6-31G basis set, and the frontier orbital energy. Atomic net charges are discussed. Calculated bond lengths and bond angles were found to differ from experimental values, and the compound exhibits moderate antifungal activity.

4-H Textile Science Beginner Projects.

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Scholl, Jan

This packet contains three 4-H projects for students beginning the sewing sequence of the textile sciences area. The projects cover basics of sewing using sewing machines, more difficult sewing machine techniques, and hand sewing. Each project provides an overview of what the student will learn, what materials are needed, and suggested projects…

Dynamic variation of histone H3 trimethyl Lys4 (H3K4me3) and heterochromatin protein 1 (HP1) with employment length in nickel smelting workers.

Science.gov (United States)

Zhao, Yanhong; Cheng, Ning; Dai, Min; Pu, Hongquan; Zheng, Tongzhang; Li, Haiyan; He, Jie; Bai, Yana

2017-07-01

To investigate the dynamic variation in H3K4me3 and HP1 with employment length in nickel smelting workers. Blood samples were collected from 140 nickel smelting workers and 140 age-matched office workers to test for H3K4me3, and HP1 levels. H3K4me3 was statistically significantly different (p exposure to nickel can induce oxidative damage, and increase H3K4me3 expression and inhibit HP1 expression.

catena-Poly[[[dichloridozinc(II]-μ-1,4-bis(1H-benzimidazol-2-yl-κN3butane] 1,4-bis(1H-benzimidazol-2-ylbutane solvate

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Yan-Ling Zhou

2010-01-01

Full Text Available In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl2(C18H18N4]·C18H18N4}n, the tetrahedrally coordinated ZnII ions are linked by the N-heterocycle into a linear chain. Another N-heterocycle present is not coordinated to the metal atom but interacts with the chain through N—H...N and N—H...Cl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511 (4:0.289 (5:0.200 (5 ratio.

Two new three-dimensional zinc phosphites templated by piperazine: [H2pip][Zn3(HPO3)4(H2O)2] and K[H2pip]0.5[Zn3(HPO3)4

Science.gov (United States)

Zhang, Xiao; Wang, Guo-Ming; Wang, Zong-Hua; Wang, Ying-Xia; Lin, Jian-Hua

2014-01-01

Two three-dimensional open-framework zinc phosphites with the same organically templated, [H2pip][Zn3(HPO3)4(H2O)2] (1) and K[H2pip]0.5[Zn3(HPO3)4] (2) (pip = piperazine), have been solvothermally synthesized and structurally characterized by IR, elemental analysis, thermogravimetric analysis, powder and single-crystal X-ray diffractions. Compound 1 consists of ZnO4 tetrahedra, [HPO3] pseudopyramids and [ZnO4(H2O)2] octahedra, which are linked through their vertexes to generate three-dimensional architecture with intersecting 8-membered channels along the [1 0 0], [0 0 1] and [1 0 1] directions. Compound 2 is constructed from strictly alternating ZnO4 tetrahedra and [HPO3] pseudopyramids, and exhibits (3,4)-connected inorganic framework with 8-, and 12-membered channels, in which the K+ and diprotonated H2pip2+ extra-framework cations reside, respectively. The coexistence of inorganic K+ and organic piperazine mixed templates in the structure is unique and, to the best of our knowledge, firstly observed in metal-phosphite materials. In addition, the participation of left-handed and right-handed helical chains in construction of the puckered 4.82 sheet structure in 2 is also noteworthy.

Optical spectroscopy of two-dimensional layered (C(6)H(5)C(2)H(4)-NH(3))(2)-PbI(4) perovskite.

Science.gov (United States)

Gauthron, K; Lauret, J-S; Doyennette, L; Lanty, G; Al Choueiry, A; Zhang, S J; Brehier, A; Largeau, L; Mauguin, O; Bloch, J; Deleporte, E

2010-03-15

We report on optical spectroscopy (photoluminescence and photoluminescence excitation) on two-dimensional self-organized layers of (C(6)H(5)C(2)H(4)-NH(3))(2)-PbI(4) perovskite. Temperature and excitation power dependance of the optical spectra gives a new insight into the excitonic and the phononic properties of this hybrid organic/inorganic semiconductor. In particular, exciton-phonon interaction is found to be more than one order of magnitude higher than in GaAs QWs. As a result, photoluminescence emission lines have to be interpreted in the framework of a polaron model.

The BPS spectrum of the 4d {N}=2 SCFT's H 1, H 2, D 4, E 6, E 7, E 8

Science.gov (United States)

Cecotti, Sergio; Del Zotto, Michele

2013-06-01

Extending results of 1112.3984, we show that all rank 1 {N}=2 SCFT's in the sequence H 1, H 2, D 4 E 6, E 7, E 8 have canonical finite BPS chambers containing precisely 2 h(F) = 12(∆ - 1) hypermultiplets. The BPS spectrum of the canonical BPS chambers saturates the conformal central charge c, and satisfies some intriguing numerology.

Ascorbic acid and striatal transport of [3H]1-methyl-4-phenylpyridine (MPP+) and [3H]dopamine

International Nuclear Information System (INIS)

Debler, E.A.; Hashim, A.; Lajtha, A.; Sershen, H.

1988-01-01

The inhibition of uptake of [ 3 H]dopamine and [ 3 H]1-methyl-4-phenylpyridine (MPP + ) was examined in mouse striatal synaptosomal preparations. Kinetic analysis indicated that ascorbic acid is a noncompetitive inhibitor of [ 3 H]MPP + uptake. No inhibition of [ 3 H]dopamine uptake is observed. The dopamine uptake blockers, GBR-12909, cocaine, and mazindol strongly inhibit (IC 50 3 H]dopamine and [ 3 H]MPP + transport. Nicotine, its metabolites, and other tobacco alkaloids are weak inhibitors except 4-phenylpyridine and lobeline, which are moderate inhibitors of both [ 3 H]dopamine and [ 3 H]MPP + uptake. These similarities in potencies are in agreement with the suggestion that [ 3 H]MPP + and [ 3 H] are transported by the same carrier. The differences observed in the alteration of dopaminergic transport and mazindol binding by ascorbic acid suggest that ascorbic acid's effects on [ 3 H]MPP + transport are related to translocation and/or dissociation processes occurring subsequent to the initial binding event

2,2,6-Trimethyl-5-[2-(4-methylphenylethynyl]-4H-1,3-dioxin-4-one

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Ignez Caracelli

2009-11-01

Full Text Available The 1,3-dioxin-4-one ring in the title compound, C16H16O3, is in a half-boat conformation with the quaternary O—C(CH32—O atom lying 0.546 (1 Å out of the plane defined by the remaining five atoms. The crystal structure is consolidated by C—H...O contacts that lead to supramolecular layers.

tert-Butyl 3-(8-bromo-4H,10H-1,2-oxazolo[4,3-c][1]benzoxepin-10-yl-2-methyl-1H-indole-1-carboxylate

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Ankur Trigunait

2010-08-01

Full Text Available In the title compound, C25H23BrN2O4, the seven-membered ring adopts a twisted-boat conformation. The indole ring system is planar within 0.021 (2 Å and the ester group [–C(=O—O—C–] is almost coplanar with it [dihedral angle = 3.0 (2°]. The conformation of the ester group is influenced by intramolecular C—H...O interactions. In the crystal structure, molecules are linked into chains along the b axis by C—H...N hydrogen bonds.

Role of H3K4 demethylases in complex neurodevelopmental diseases.

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Wynder, Christopher; Stalker, Leanne; Doughty, Martin L

2010-06-01

Significant neurological disorders can result from subtle perturbations of gene regulation that are often linked to epigenetic regulation. Proteins that regulate the methylation of lysine 4 of histone H3 (H3K4) and play a central role in epigenetic regulation, and mutations in genes encoding these enzymes have been identified in both autism and Rett syndrome. The H3K4 demethylases remove methyl groups from lysine 4 leading to loss of RNA polymerase binding and transcriptional repression. When these proteins are mutated, brain development is altered. Currently, little is known regarding how these gene regulators function at the genomic level. In this article, we will discuss findings that link H3K4 demethylases to neurodevelopment and neurological disease.

Synthesis and the crystal and molecular structures of (H3L . Cl)[CoCl4] and H2L[CuBr4] (L is 2,4,6-Tri(N,N-dimethylamino)methylphenol)

International Nuclear Information System (INIS)

Kovalchukova, O. V.; Stash, A. I.; Strashnova, S. B.; Romashkina, E. P.; Zaitsev, B. E.

2010-01-01

The complex compounds (H 3 L . Cl)[CoCl 4 ] (I) and H 2 L[CuBr 4 ] (II), where L is 2,4,6-tri(N,N-dimethylamino)methylphenol, were isolated in the crystalline state and studied by X-ray diffraction. The organic cations were found to be outer-sphere ligands. All three nitrogen atoms of the tertiary amino groups are protonated. In compound I, the H 3 L 3+ cation exists as the cis tautomer. In compound II, the H 2 L 2+ dication exists as the trans isomer. In the crystal structure, the dications are arranged in layers via hydrogen bonds.

4-H Science Inquiry Video Series

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Green, Jeremy W.; Black, Lynette; Willis, Patrick

2013-01-01

Studies support science inquiry as a positive method and approach for 4-H professionals and volunteers to use for teaching science-based practices to youth. The development of a science inquiry video series has yielded positive results as it relates to youth development education and science. The video series highlights how to conduct science-rich…

1-Allyl-3-amino-1H-pyrazole-4-carboxylic acid

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Feng-Ling Yang

2008-12-01

Full Text Available The title compound, C7H9N3O2, was prepared by alkaline hydrolysis of ethyl 1-allyl-3-amino-1H-pyrazole-4-carboxylate. The crystal structure is stabilized by three types of intermolecular hydrogen bond (N—H...O, N—H...N and O—H...N.

Synthesis of new 3-(2-aminothiazol-4-yl-4-hydroxy-2H-chromen-2-one derivatives

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S. SUKDOLAK

2006-06-01

Full Text Available Aminothiazole derivatives of 4-hydroxy-2H-chromen-2-one were prepared by the Hantzsch reaction1 using 3-(2-bromoacetyl-4-hydroxy-2H-chromen-2-one and thiourea derivatives. Starting compound for this synthesis 3-(2-bromoacetyl-4-hydroxy- 2H-chromen-2-one (1 was prepared previously.2 Also, for this synthesis we used thiourea derivatives (2a–j as compounds which possess groups with biological activity. Reactions are carried out in refluxing ethanol for a period of 30 – 45 min. Final products (3a–j are obtained in a high yield. Chemical structure of the obtained compounds was confirmed by elemental and structural analysis (IR and 1H NMR spectroscopy.

(3,5-Dimethylpyrazol-1-yl-[4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylaminophenyl]methanone

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Rania B. Bakr

2016-11-01

Full Text Available In an attempt to enhance cytotoxic activity of pyrazolo[3,4-d]pyrimidine core, we synthesized (3,5-dimethylpyrazol-1-yl-[4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylaminophenyl]methanone (4 by reacting 4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylaminobenzohydrazide (3 with acetylacetone. Antiproliferative activity of this compound was screened against breast (MCF-7, colon (HCT-116, and liver (HEPG-2 cancer cell lines. The tested compound exhibited cytotoxic activity with IC50 = 5.00–32.52 μM. Moreover, inhibitory activity of this compound was evaluated against the epidermal growth factor receptor (EGFR, the fibroblast growth factor receptor (FGFR, the insulin receptor (IR, and the vascular endothelial growth factor receptor (VEGFR. This target compound showed potent inhibitory activity, especially against FGFR with IC50 = 5.18 μM.

24 CFR 257.203 - Calculation of up-front and annual mortgage insurance premiums for H4H program mortgages.

Science.gov (United States)

2010-04-01

... mortgage insurance premiums for H4H program mortgages. 257.203 Section 257.203 Housing and Urban... mortgage insurance premiums for H4H program mortgages. (a) Applicable premiums. Any mortgage presented for... LOAN INSURANCE PROGRAMS UNDER NATIONAL HOUSING ACT AND OTHER AUTHORITIES HOPE FOR HOMEOWNERS PROGRAM...

Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

Science.gov (United States)

Ahmad, Bhat Zahoor; Want, Basharat

2016-04-01

We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C4H5O6)(C4H4O6)][3H2O]. X-ray crystal structure analyses reveal that it crystallizes in the P41212 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau- Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

Crystal structure of 1-methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

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Mohammed El Fal

2014-12-01

Full Text Available In the title compound, C7H8N4S, the non-H atoms of the pyrazolo[3,4-d]pyrimidine ring system and the methylsulfanyl group lie on a crystallographic mirror plane. In the crystal, molecules are linked via a number of π–π interactions [centroid–centroid distances vary from 3.452 (7 to 3.6062 (8 Å], forming a three-dimensional structure.

Synthesis of the enantiomers of [3-{sup 3}H]-2-[[4-[(7-chloro-4-quinolinyl)-amino]pentyl]ethylamino]eth anol, [3-{sup 3}H]-hydroxychloroquine

Energy Technology Data Exchange (ETDEWEB)

Ellames, G.J.; Herbert, J.M.; Peace, J.E.; Smith, D.J.; Wedge, K.J. [Sterling Winthrop Research Centre, Alnwick (United Kingdom). Pharmaceuticals Research Div.

1995-01-01

The enantiomers of [3-{sup 3}H]-2-[[4-[(7-chloro-4-quinolinyl)amino] pentyl]ethylamino]ethanol, [3-{sup 3}H]-hydroxychloroquine, (R)-8 and (S)-8, have been prepared in two steps from the known precursors 4,7-dichloro-3-iodoquinoline, and the enantiomers of 2-[(4-aminopentyl) ethyl-amino]ethanol, (R)-2 and (S)-2, by formation of the enantiomers of 2-[[4-[(7-chloro-3-iodo-4-quinolinyl)amino]pentyl]ethylamino] ethanol, (R)-3 and (S)-3, and subsequent reductive deiodination with tritium gas over 10% palladium on charcoal. (Author).

Association between H3K4 methylation and cancer prognosis: A meta-analysis.

Science.gov (United States)

Li, Simin; Shen, Luyan; Chen, Ke-Neng

2018-05-08

Histone H3 lysine 4 methylation (H3K4 methylation), including mono-methylation (H3K4me1), di-methylation (H3K4me2), or tri-methylation (H3K4me3), is one of the epigenetic modifications to histone proteins, which are related to the transcriptional activation of genes. H3K4 methylation has both tumor inhibiting and promoting effects, and the prognostic value of H3K4 methylation in cancer remains controversial. Therefore, we performed a systematic review and meta-analysis to examine the association between H3K4 methylation and cancer prognosis. A comprehensive search of PubMed, Web of Science, ScienceDirect, Embase, and Ovid databases was conducted to identify studies investigating the association between H3K4 methylation and prognosis of patients with malignant tumors. The data and characteristics of each study were extracted, and the hazard ratio (HR) at a 95% confidence interval (CI) was calculated to estimate the effect. A total of 1474 patients in 10 studies were enrolled in this meta-analysis. The pooled HR of 1.52 (95% CI 1.02-2.26) indicated that patients with a lower level of H3K4me2 expression were expected to have shorter overall survival, while the pooled HR of 0.45 (95% CI 0.27-0.74) indicated that patients with a lower level of H3K4me3 expression were expected to have longer overall survival. This meta-analysis indicates that increased H3K4me3 expression and decreased H3K4me2 expression might be predictive factors of poor prognosis in cancer. Further large cohort studies are needed to confirm these findings. © 2018 The Authors. Thoracic Cancer published by China Lung Oncology Group and John Wiley & Sons Australia, Ltd.

Ab initio calculations of 3H(d,n)4He fusion

International Nuclear Information System (INIS)

Navratil, Petr; Quaglioni, Sofia

2012-01-01

We build a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the ab initio no-core shell model. In this way, we complement a microscopic-cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. We will present the first results of the d- 3 H and d- 3 He fusion calculation obtained within our ab initio approach. We will also discuss our d- 4 He, 3 H- 4 He and 3 H- 3 H scattering calculations and the outline of the extension of the formalism to include three-cluster final states with the goal to calculate the 3 H( 3 H,2n) 4 He cross section

The study of antimicrobial activity of 2-((4-R-3-(morpholinomethylene-4H-1,2,4-triazole-5-ylthioacetic acid salts

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R. О. Shcherbyna

2016-08-01

Full Text Available The purpose of the work was to study the antimicrobial activity of 2-((4-R-3-(morfolinomethylene-4H-1,2,4-triazole-5-ylthio acetic acid salts by "hanging drop" and “serial dilution” methods in broth (limiting concentration option and establish some patterns of "structure – action" depending. Materials and methods. The objects of research were 9 new compounds of 2-((4-R-3-(morfolinomethylene-4H-1,2,4-triazole-5-ylthio acetic acid salts. These compounds are the crystal substances which are odorless, soluble in water and organic solvents. To achieve a more objective picture of the research we applied two methods: "hanging drop" and “serial dilution” in broth (limiting concentration option. To study the effectiveness of substances we used the test cultures of E. coli, Salmonella typhymurium, Staphylococcus epidermidis, P. aeruginosa. Results and discussion. In the study we have found that 2-((4-R-3-(morfolinomethylene-4H-1,2,4-triazole-5-ylthio acetic acid salts can differently inhibit the growth of test cultures. The results show that the data obtained by two methods correlated with each other. Thus, the 2-((4-R-3-(morfolinomethylene-4H-1,2,4-triazole-5-ylthio acetic acid salts are active against most strains of E. Coli. and Salmonella typhymurium. Analyzing the impact of 2-((4-R-3-(morfolinomethylene-4H-1,2,4-triazole-5-ylthio acetic acid salts we have noted that the replacement of the phenyl radical (PKR-135, 139 on the free amino group at N4 nitrogen of 1,2,4- triazole cycle (PKR-173, 177 leads to the disappearance of antimicrobial activity against the studied strains. It was established that the transition from morfolin cation (PKR-133 to the piperydyn cation (PKR-134 in the molecules of 2-((4-phenyl-3-(morfolinometylen-4H-1,2,4-triazole-5-yl thio acetic acid is accompanied by a significant increase in antimicrobial effect. It was interesting that among all the cations in the molecules of 2-((4-amino-3-(morfolinometylen-4H-1,2,4

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

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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.

Keggin type polyoxometalate H4[αSiW12O40].nH2O as intercalant for hydrotalcite

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Neza Rahayu Palapa

2017-06-01

Full Text Available The synthesis of hydrotalcite and polyoxometalate H4[αSiW12O40].nH2O with the ratio (2:1, (1:1, (1:2 and (1:3 has been done. The product of intercalation was characterized using FT-IR spectrophotometer, XRD, and TG-DTA. Polyoxometalate H4[αSiW12O40].nH2O intercalated layered double hydroxide was optimised to use as adsorbent Congo red dye. Characterization using FT-IR was not showing the optimal insertion process. The result using XRD characterization was showed successful of polyoxometalate H4[αSiW12O40].nH2O inserted layered double hydroxide with a ratio (1:1 which the basal spacing was expanded from 7,8 Ȧ to 9,81 Ȧ. Furthermore, the thermal analysis was performed using TG-DTA. The result show that the decomposition of polyoxometalate H4[αSiW12O40].nH2O intercalated  hydrotalcite with ratio (1:1 was occured at 80oC to 400oC with a loss of OH in the layer at 150oC to 220oC, and then the decomposition of the compound polyoxometalate H4[αSiW12O40].nH2O at 350oC to 420oC. Keywords: Hydrotalcite, Layered Double Hydroxide, Polyoxometalate, Intercalation

1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

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Mohamed El Hafi

2017-09-01

Full Text Available In the crystal, molecules of the title compound, C12H10N4, stack in a head-to-tail manner along the b direction through π–π stacking interactions between both portions of the pyrazolopyrimidine ring system.

(S-2-(4-Chlorobenzoyl-1,2,3,4-tetrahydrobenzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH-dione—Synthesis and Crystallographic Studies

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Adam Mieczkowski

2017-10-01

Full Text Available (S-2-(4-Chlorobenzoyl-1,2,3,4-tetrahydrobenzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH-dione was obtained in a three-step, one-pot synthesis, starting from optically pure (S-2-piperazine carboxylic acid dihydrochloride. Selective acylation of the β-nitrogen atom followed by condensation with isatoic anhydride and cyclization with HATU/DIPEA to a seven-member benzodiazepine ring, led to the tricyclic benzodiazepine derivative. Crystallographic studies and initial biological screening were performed for the title compound.

4-Benzyl-6-bromo-2-phenyl-4H-imidazo[4,5-b]pyridine

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Y. Ouzidan

2010-04-01

Full Text Available The imidazopyridine fused ring in the title compound, C19H14BrN3, is almost coplanar with the phenyl ring at the 2-position of the five-membered ring [dihedral angle = 2.4 (1. The crystal structure features short Br...Br contacts [3.562 (1 Å].

Tungsten phosphanylarylthiolato complexes [W{PhP(2-SC6H4)2-kappa3S,S',P} 2] and [W{P(2-SC6H4)3-kappa4S,S',S",P}2]: synthesis, structures and redox chemistry.

Science.gov (United States)

Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie

2008-09-14

PhP(2-SHC6H4)2 (PS2H2) reacts with WCl6 with reduction of tungsten to give the air-sensitive tungsten(IV) complex [W{PhP(2-SC6H4)2-kappa(3)S,S',P}2] (1). 1 is oxidised in air to [WO{PhPO(2-SC6H4)2-kappa(3)S,S',O}{PhP(2-SC6H4)2-kappa(3)S,S',P}] (2). The attempted synthesis of 2 by reaction of 1 with iodosobenzene as oxidising agent was unsuccessful. [W{P(2-SC6H4)3-kappa(4)S,S',S",P}2] (3) was formed in the reaction of P(2-SHC6H4)3 (PS3H3) with WCl6. The W(VI) complex 3 contains two PS3(3-) ligands, each coordinated in a tetradentate fashion resulting in a tungsten coordination number of eight. The reaction of 3 with AgBF4 yields the dinuclear tungsten complex [W2{P(2-SC6H4)3-kappa(4)S,S',S",P}3]BF4 (4). Complexes 1-4 were characterised by spectral methods and X-ray structure determination.

Charge transfer processes in collisions of H+ ions with H2, D2, CO, CO2 CH4, C2H2, C2H6 and C3H8 molecules below 10 keV

International Nuclear Information System (INIS)

Kusakabe, T.; Buenker, R.J.; Kimura, M.

2002-01-01

Charge transfer processes resulting from collisions of H + ions with H 2 , D 2 , CO, CO 2 CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 molecules have been investigated in the energy range of 0.2 to 4.0 keV experimentally and theoretically. The initial growth rate method was employed in the experiment for studying the dynamics and cross sections. Theoretical analysis based on a molecular-orbital expansion method for H 2 , D 2 , CO, CH 4 and C 2 H 2 targets was also carried out. The present results for the H 2 , CO and CO 2 molecules by H + impact are found to be in excellent accord with most of previous measurements above 1 keV, but they show some differences below this energy where our result displays a stronger energy-dependence. For CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 targets, both experimental and theoretical results indicate that if one assumes vibrationally excited molecular ions (CH 4 + , C 2 H 2 + , C 2 H 6 + and C 3 H 8 + ) formed in the exit channel, then charge transfer processes sometimes become more favorable since these vibrationally excited fragments meet an accidental resonant condition. This is a clear indication of the role of vibrational excited states for charge transfer, and is an important realization for general understanding. (author)

SYNTHESIS, CHARACTERIZATION AND ANTIOXIDANT ACTIVITIES OF NOVEL 1-(MORPHOLINE-4-YL-METHYL-3-ALKYL(ARYL-4-[4-(DIMETHYLAMINO-BENZYLIDENAMINO]-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONES

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Özlem Gürsoy Kol

2016-08-01

Full Text Available In this paper, eight novel 1-(morpholine-4-yl-methyl-3-alkyl(aryl-4-[4-(dimethylamino-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (2 were obtained by the reactions of 3-alkyl(aryl-4-[4-(dimethylamino-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (1 with formaldehyde and morpholine. The novel synthesized compounds were identified by IR, 1H NMR and 13C NMR spectral data. Besides, the newly synthesized compounds were analysed for their in vitro potential antioxidant capacities in three different assays. All of the compounds demonstrated significant activity for metal chelating effect.

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

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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.

Both H4K20 mono-methylation and H3K56 acetylation mark transcription-dependent histone turnover in fission yeast

International Nuclear Information System (INIS)

Yang, Hanna; Kwon, Chang Seob; Choi, Yoonjung; Lee, Daeyoup

2016-01-01

Nucleosome dynamics facilitated by histone turnover is required for transcription as well as DNA replication and repair. Histone turnover is often associated with various histone modifications such as H3K56 acetylation (H3K56Ac), H3K36 methylation (H3K36me), and H4K20 methylation (H4K20me). In order to correlate histone modifications and transcription-dependent histone turnover, we performed genome wide analyses for euchromatic regions in G2/M-arrested fission yeast. The results show that transcription-dependent histone turnover at 5′ promoter and 3′ termination regions is directly correlated with the occurrence of H3K56Ac and H4K20 mono-methylation (H4K20me1) in actively transcribed genes. Furthermore, the increase of H3K56Ac and H4K20me1 and antisense RNA production was observed in the absence of the histone H3K36 methyltransferase Set2 and histone deacetylase complex (HDAC) that are involved in the suppression of histone turnover within the coding regions. These results together indicate that H4K20me1 as well as H3K56Ac are bona fide marks for transcription-dependent histone turnover in fission yeast.

Both H4K20 mono-methylation and H3K56 acetylation mark transcription-dependent histone turnover in fission yeast

Energy Technology Data Exchange (ETDEWEB)

Yang, Hanna [Department of Biological Sciences, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon 34141 (Korea, Republic of); Kwon, Chang Seob [Department of Chemistry and Biology, Korea Science Academy of KAIST, Busan, 614-822 (Korea, Republic of); Choi, Yoonjung, E-mail: jjungii@kaist.ac.kr [Department of Biological Sciences, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon 34141 (Korea, Republic of); Lee, Daeyoup, E-mail: daeyoup@kaist.ac.kr [Department of Biological Sciences, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon 34141 (Korea, Republic of)

2016-08-05

Nucleosome dynamics facilitated by histone turnover is required for transcription as well as DNA replication and repair. Histone turnover is often associated with various histone modifications such as H3K56 acetylation (H3K56Ac), H3K36 methylation (H3K36me), and H4K20 methylation (H4K20me). In order to correlate histone modifications and transcription-dependent histone turnover, we performed genome wide analyses for euchromatic regions in G2/M-arrested fission yeast. The results show that transcription-dependent histone turnover at 5′ promoter and 3′ termination regions is directly correlated with the occurrence of H3K56Ac and H4K20 mono-methylation (H4K20me1) in actively transcribed genes. Furthermore, the increase of H3K56Ac and H4K20me1 and antisense RNA production was observed in the absence of the histone H3K36 methyltransferase Set2 and histone deacetylase complex (HDAC) that are involved in the suppression of histone turnover within the coding regions. These results together indicate that H4K20me1 as well as H3K56Ac are bona fide marks for transcription-dependent histone turnover in fission yeast.

6-Bromo-2-(4-chlorophenyl-3-methyl-3H-imidazo[4,5-b]pyridine

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Selma Bourichi

2016-05-01

Full Text Available In the title compound, C13H9BrClN3, the imidazopyridine fused-ring system is almost planar, with r.m.s. deviation of 0.006 (19 Å, and makes a dihedral angle of 29.32 (8° with the mean plane of the 4-chlorophenyl group. In the crystal, C—H...N hydrogen bonds link the molecules into chains propagating in the [100] direction. Weak intermolecular π–π interactions between the five- and six-membered rings of the 3H-imidazo[4,5-b]pyridine moieties of neighbouring molecules [centroid–centroid distance = 3.8648 (12 Å] further consolidate the packing into layers parallel to the ab plane.

Evaluation of the phase composition of (NH4)2SO4 + (NH4)H2PO4 mixtures by X-ray diffractometry

International Nuclear Information System (INIS)

Ortiz, Angel L.; Cumbrera, Francisco L.; Perez, Jose; Vas, Beatriz del; Perez, Eduardo

2009-01-01

The phase composition of standard (NH 4 ) 2 SO 4 + (NH 4 )H 2 PO 4 mixtures was investigated by X-ray diffractometry (XRD) using the internal-standard, reference-intensity-ratio, and Rietveld methods. It was found that the Rietveld method yields the most accurate phase-composition measurements, with an average error of ∼2 wt.%. It was also found that the internal-standard method is only effective in determining the phase composition if the calibration curve for (NH 4 )H 2 PO 4 is used, giving an average error of ∼6.5 wt.%. On the contrary, the internal-standard method with the calibration curve of the (NH 4 ) 2 SO 4 phase and the reference-intensity-ratio method are not valid. The inappropriateness of these two methods was attributed to graininess in the (NH 4 ) 2 SO 4 phase, with the attendant deviation of its diffracted intensities from the theoretical values. Direct scanning electron microscopy observations of the morphology of the powder particles in the mixtures showed clear evidence of the large agglomerates formed because the individual powder particles are partially sintered together during milling, thus corroborating the graininess determined by the XRD analyses. Finally, the implications of the present study for the quantitative phase-composition analysis of (NH 4 ) 2 SO 4 + (NH 4 )H 2 PO 4 mixtures, which are of great technological importance for the fire prevention industry, are discussed.

(4Z-4-[1-(2-Aminoanilinoethylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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Mohamed Samba

2017-02-01

Full Text Available The conformation of the title compound, C18H18N4O, is partly determined by an intramolecular N—H...O hydrogen bond that imposes planarity on the central aminoethylidene-3-methylpyrazol-5-one segment of the molecule. In the crystal, N—H...O hydrogen and N—H...N hydrogen bonds both form centrosymmetric dimers that enclose R22(18 rings. These, together with C—H...N and π–π stacking interactions between centrosymmetrically related pyrazalone rings, stack the molecules along the b-axis direction.

Increased expression and levels of human β defensins (hBD2 and hBD4 in adults with dental caries

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Girolamo Jose Barrera

2013-09-01

Full Text Available Introduction: Defensins are small anti-microbial peptides produced by epithelial cells. These peptides have a broad range of actions against microorganisms, including Gram-positive and Gram-negative bacteria.Human defensins are classifi ed into two subfamilies, the α-, and β- defensins, which differ in their distribution of disulphide bonds between the six conserved cysteine residues. Defensins are found in salivaand others compartments of the body. Human β defensins 2 (hBD2, beta defensins 4 (hBD4 and alpha defensins 4 (hNP4 in saliva may contributes to vulnerability or resistance to caries. This study aimed to determine a possible correlation between caries and levels of defensins measuring the expression in gingival tissue and concentrations in saliva samples.Methods: Oral examinations were performed on 100 adults of both genders (18-30 years old, and unstimulated whole saliva was collected for immunoassays of the three peptides and for the salivary pH, buffercapacity, protein, and peroxidase activity. mRNA levels of defensins in gingival sample were assessed by semi-quantitative RT-PCR technique.Results: The median salivary levels of hBD2 and hBD4 were 1.88 μg/ml and 0.86 μg/ml respectively for the caries-free group (n=44 and 7.26 μ/ml (hBD2 and 4.25 μg/ml (hBD4 for all subjects with evidenceof caries (n=56. There was no difference in the levels of hNP4, salivary pH, and proteins between groups, however the peroxidase activity and buffer capacity (interval 6.0-5.0 were reduced in caries group. Transcriptional levels of hBD2 and hBD4 did correlate with caries experience, the mRNA expression of hBD2 and hBD4 were signifi cantly higher in patients with caries than in patients with no-caries (p Conclusion: We conclude that high salivary levels and expression of beta defensins, low peroxidase activity and buffer capacity may represent a biological response of oral tissue to caries. Our observation couldlead to new ways to prevent caries

Increased expression and levels of human β defensins (hBD2 and hBD4 in adults with dental caries

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Girolamo Jose Barrera

2013-09-01

Full Text Available Introduction: Defensins are small anti-microbial peptides produced by epithelial cells. These peptides have a broad range of actions against microorganisms, including Gram-positive and Gram-negative bacteria.Human defensins are classifi ed into two subfamilies, the α-, and β- defensins, which differ in their distribution of disulphide bonds between the six conserved cysteine residues. Defensins are found in salivaand others compartments of the body. Human β defensins 2 (hBD2, beta defensins 4 (hBD4 and alpha defensins 4 (hNP4 in saliva may contributes to vulnerability or resistance to caries. This study aimed to determine a possible correlation between caries and levels of defensins measuring the expression in gingival tissue and concentrations in saliva samples.Methods: Oral examinations were performed on 100 adults of both genders (18-30 years old, and unstimulated whole saliva was collected for immunoassays of the three peptides and for the salivary pH, buffercapacity, protein, and peroxidase activity. mRNA levels of defensins in gingival sample were assessed by semi-quantitative RT-PCR technique.Results: The median salivary levels of hBD2 and hBD4 were 1.88 μg/ml and 0.86 μg/ml respectively for the caries-free group (n=44 and 7.26 μ/ml (hBD2 and 4.25 μg/ml (hBD4 for all subjects with evidenceof caries (n=56. There was no difference in the levels of hNP4, salivary pH, and proteins between groups, however the peroxidase activity and buffer capacity (interval 6.0-5.0 were reduced in caries group. Transcriptional levels of hBD2 and hBD4 did correlate with caries experience, the mRNA expression of hBD2 and hBD4 were signifi cantly higher in patients with caries than in patients with no-caries (p < 0.01.Conclusion: We conclude that high salivary levels and expression of beta defensins, low peroxidase activity and buffer capacity may represent a biological response of oral tissue to caries. Our observation couldlead to new ways to prevent

Addressing the Needs of Children of Offenders: The 4-H LIFE Model

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Lynna J. Lawson

2007-09-01

Full Text Available 4-H LIFE represents a promising approach to addressing the needs of children of offenders and their caregivers. The 4-H Living Interactive Family Education (LIFE Program was established in 1999 at the Potosi Correctional Center, a maximum security prison. 4-H LIFE is an enhanced or therapeutic visitation program with three key components: 1. parent engagement; 2. parent education; 3. 4-H activities for children of offenders, led by the incarcerated parents. Since inception, 141 youths between the ages of 5 and 18 have participated; 59 incarcerated fathers and 106 caregivers have also been engaged at PCC. Program evaluations suggest that parent-child outcomes improved. In 2005, 4-H LIFE received the Annie E. Casey Foundation Family Strengthening Award.

Infectivity, transmission and pathogenicity of H5 highly pathogenic avian influenza clade 2.3.4.4 (H5N8 and H5N2) United States index viruses in Pekin ducks and Chinese geese

Science.gov (United States)

In late 2014, a H5N8 highly pathogenic avian influenza (HPAI) virus, clade 2.3.4.4, spread by migratory birds into North America mixing with low pathogenicity AI viruses to produce a H5N2 HPAI virus. The H5N8 and H5N2 HPAI viruses were detected initially in wild waterfowl and backyard birds, and lat...

Crystal structures of NiSO4·9H2O and NiSO4·8H2O: magnetic properties, stability with respect to morenosite (NiSO4·7H2O), the solid-solution series (Mg x Ni1-x )SO4·9H2O

Science.gov (United States)

Fortes, A. D.; Knight, K. S.; Gibbs, A. S.; Wood, I. G.

2018-02-01

Since being discovered initially in mixed-cation systems, a method of forming end-member NiSO4·9H2O and NiSO4·8H2O has been found. We have obtained powder diffraction data from protonated analogues (with X-rays) and deuterated analogues (using neutrons) of these compounds over a range of temperatures, allowing us to determine their crystal structures—including all H-atoms—and to characterise the transitions on warming from 220 to 278 K; glass → 9-hydrate → 8-hydrate + ice → 7-hydrate + ice → partial melt (7-hydrate + liquid). NiSO4·8D2O is triclinic, space-group P\\bar {1} , Z = 2, with unit cell parameters at 150 K, a = 6.12463(8) Å, b = 6.8401(1) Å, c = 12.5339(2) Å, α = 92.846(1)°, β = 97.822(1)°, γ = 96.627(1)° and V = 515.58(1) Å3. The structure consists of two symmetry-inequivalent Ni(D2O)6 octahedra on sites of \\bar {1} symmetry. These are directly joined by a water-water H-bond to form chains of octahedra parallel with the c-axis at x = 0. Two interstitial water molecules serve both to bridge the Ni(D2O)6 octahedral chains in the b-c plane and also to connect with the SO4 2- tetrahedral oxyanion. These tetrahedra are linked by the two interstitial water molecules in a reticular motif to form sheets perpendicular to c. NiSO4·9D2O is monoclinic, space-group P21/c, Z = 4, with unit-cell parameters at 150 K, a = 6.69739(6) Å, b = 11.8628(1) Å, c = 14.5667(1) Å, β = 94.9739(8)° and V = 1152.96(1) Å3. The structure is isotypic with the Mg analogue described elsewhere (Fortes et al., Acta Cryst B 73:47‒64, 2017b). It shares the motif of H-bonded octahedral chains with NiSO4·8D2O, although in the enneahydrate these run parallel with the b-axis at x = 0. Three interstitial water molecules bridge the Ni(D2O)6 octahedra to the SO4 2- tetrahedral oxyanion. The tetrahedra sit at x ≈ 0.5 and are linked by two of the three interstitial water molecules in a pentagonal motif to form ribbons parallel with b. A solid-solution series

Hydrothermal synthesis and crystal structure of CsFe23(HPO4)2(PO4)(H2O)

International Nuclear Information System (INIS)

Anisimova, N.Yu.; Ilyukhin, A.B.; Chudinova, N.N.; Serafin, M.

2001-01-01

The double acid iron-cesium orthophosphate CsFe 2 3 (HPO 4 ) 2 (PO 4 )(H 2 O) was prepared by hydrothermal synthesis (from the Fe 2 O 3 , Cs 2 CO 3 and H 3 PO 4 mixture at 290 Deg C during 1 h following by cooling to 25 Deg C). Its crystal structure (a = 5.021(3), b = 15.80(1), c = 13.646(8), β 94.49(4) Deg, sp. gr. P2 1 /n, Z = 4) was analyzed by X-ray diffraction. The structure is formed by the orthophosphate tetrahedrons and the FeO 6 octahedrons, the water molecule is coordinated by the iron atom [ru

Mass spectrometry analysis of the variants of histone H3 and H4 of soybean and their post-translational modifications

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Lam Hon-Ming

2009-07-01

Full Text Available Abstract Background Histone modifications and histone variants are of importance in many biological processes. To understand the biological functions of the global dynamics of histone modifications and histone variants in higher plants, we elucidated the variants and post-translational modifications of histones in soybean, a legume plant with a much bigger genome than that of Arabidopsis thaliana. Results In soybean leaves, mono-, di- and tri-methylation at Lysine 4, Lysine 27 and Lysine 36, and acetylation at Lysine 14, 18 and 23 were detected in HISTONE H3. Lysine 27 was prone to being mono-methylated, while tri-methylation was predominant at Lysine 36. We also observed that Lysine 27 methylation and Lysine 36 methylation usually excluded each other in HISTONE H3. Although methylation at HISTONE H3 Lysine 79 was not reported in A. thaliana, mono- and di-methylated HISTONE H3 Lysine 79 were detected in soybean. Besides, acetylation at Lysine 8 and 12 of HISTONE H4 in soybean were identified. Using a combination of mass spectrometry and nano-liquid chromatography, two variants of HISTONE H3 were detected and their modifications were determined. They were different at positions of A31F41S87S90 (HISTONE variant H3.1 and T31Y41H87L90 (HISTONE variant H3.2, respectively. The methylation patterns in these two HISTONE H3 variants also exhibited differences. Lysine 4 and Lysine 36 methylation were only detected in HISTONE H3.2, suggesting that HISTONE variant H3.2 might be associated with actively transcribing genes. In addition, two variants of histone H4 (H4.1 and H4.2 were also detected, which were missing in other organisms. In the histone variant H4.1 and H4.2, the amino acid 60 was isoleucine and valine, respectively. Conclusion This work revealed several distinct variants of soybean histone and their modifications that were different from A. thaliana, thus providing important biological information toward further understanding of the histone