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Sample records for phenyl rings attached

  1. Why Do Simple Molecules with "Isolated" Phenyl Rings Emit Visible Light?

    Science.gov (United States)

    Zhang, Haoke; Zheng, Xiaoyan; Xie, Ni; He, Zikai; Liu, Junkai; Leung, Nelson L C; Niu, Yingli; Huang, Xuhui; Wong, Kam Sing; Kwok, Ryan T K; Sung, Herman H Y; Williams, Ian D; Qin, Anjun; Lam, Jacky W Y; Tang, Ben Zhong

    2017-11-15

    π-Bonds connected with aromatic rings were generally believed as the standard structures for constructing highly efficient fluorophores. Materials without these typical structures, however, exhibited only low fluorescence quantum yields and emitted in the ultraviolet spectral region. In this work, three molecules, namely bis(2,4,5-trimethylphenyl)methane, 1,1,2,2-tetrakis(2,4,5-trimethylphenyl)ethane, and 1,1,2,2-tetraphenylethane, with nonconjugated structures and isolated phenyl rings were synthesized and their photophysical properties were systematically investigated. Interestingly, the emission spectra of these three molecules could be well extended to 600 nm with high solid-state quantum yields of up to 70%. Experimental and theoretical analyses proved that intramolecular through-space conjugation between the "isolated" phenyl rings played an important role for this abnormal phenomenon.

  2. Controlled switching of single-molecule junctions by mechanical motion of a phenyl ring

    Directory of Open Access Journals (Sweden)

    Yuya Kitaguchi

    2015-10-01

    Full Text Available Mechanical methods for single-molecule control have potential for wide application in nanodevices and machines. Here we demonstrate the operation of a single-molecule switch made functional by the motion of a phenyl ring, analogous to the lever in a conventional toggle switch. The switch can be actuated by dual triggers, either by a voltage pulse or by displacement of the electrode, and electronic manipulation of the ring by chemical substitution enables rational control of the on-state conductance. Owing to its simple mechanics, structural robustness, and chemical accessibility, we propose that phenyl rings are promising components in mechanical molecular devices.

  3. 4-{(E-[2-(4-Iodobutoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-07-01

    Full Text Available The title Schiff base compound, C22H24IN3O2, adopts an E configuration about the central C=N bond. The pyrazolone ring makes a dihedral angle of 49.68 (10° with its attached phenyl ring. The phenolate plane makes dihedral angles of 16.78 (9 and 50.54 (9°, respectively, with the pyrazolone ring and the terminal phenyl ring. An intramolecular C—H...O hydrogen bond generates an S(6 ring motif. In the crystal structure, an intermolecular C—H...O hydrogen bond is also observed.

  4. Split ring containment attachment device

    International Nuclear Information System (INIS)

    Sammel, A.G.

    1996-01-01

    A containment attachment device is described for operatively connecting a glovebag to plastic sheeting covering hazardous material. The device includes an inner split ring member connected on one end to a middle ring member wherein the free end of the split ring member is inserted through a slit in the plastic sheeting to captively engage a generally circular portion of the plastic sheeting. A collar potion having an outer ring portion is provided with fastening means for securing the device together wherein the glovebag is operatively connected to the collar portion. 5 figs

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

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    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.

  6. Crystal structure of (E-2-benzylidene-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

    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.

  7. High Ringxiety: Attachment Anxiety Predicts Experiences of Phantom Cell Phone Ringing.

    Science.gov (United States)

    Kruger, Daniel J; Djerf, Jaikob M

    2016-01-01

    Mobile cell phone users have reported experiencing ringing and/or vibrations associated with incoming calls and messages, only to find that no call or message had actually registered. We believe this phenomenon can be understood as a human signal detection issue, with potentially important influences from psychological attributes. We hypothesized that individuals higher in attachment anxiety would report more frequent phantom cell phone experiences, whereas individuals higher in attachment avoidance would report less frequent experiences. If these experiences are primarily psychologically related to attributes of interpersonal relationships, associations with attachment style should be stronger than for general sensation seeking. We also predicted that certain contexts would interact with attachment style to increase or decrease the likelihood of experiencing phantom cell phone calls and messages. Attachment anxiety directly predicted the frequency of phantom ringing and notification experiences, whereas attachment avoidance and sensation seeking did not directly predict frequency. Attachment anxiety and attachment avoidance interacted with contextual factors (expectations for a call or message and concerned about an issue that one may be contacted about) in the expected directions for predicting phantom cell phone experiences.

  8. Spectral Properties of Novel 1,3-oxazol-5(4H)-ones With Substituted Benzylidene and Phenyl Rings

    DEFF Research Database (Denmark)

    Palcut, Marián

    2009-01-01

    In the present work, five novel (4Z)-4-benzylidene-2-phenyl-1,3-oxazol-5(4H)-ones (azlactones) were investigated by the infra-red (IR) and nuclear magnetic resonance spectroscopy (NMR) of the 1H and 13C nuclei. The spectral properties of the oxazolone ring were monitored with respect to the subst...

  9. Bond-equilibrium theory of liquid Se-Te alloys. II. Effect of singly attached ring molecules

    Science.gov (United States)

    Cutler, Melvin; Bez, Wolfgang G.

    1981-06-01

    A statistical-mechanical theory for bond equilibrium of chain polymers containing threefold (3F) and onefold (1F) bond defects is extended to include the effects of free ring molecules and ring molecules attached to chains by a single 3F atom. Positively charged singly attached rings are shown to play a key role in bond equilibrium in liquid Sex Te1-x by permitting the formation of ion pairs in which both constituents are effectively chain terminators, thus decreasing the average polymer size. The theory is applied to explain the behavior of the paramagnetic susceptibility, χp, and electronic transport as affected by the Fermi energy EF. It is found that the increase in χp with the concentration of Te is primarily the result of the smaller energy for breaking Te bonds. In addition, attached rings play an important role in determining the effect of temperature on χp. At x<~0.5, the concentrations of both free and attached rings becomes small at high T because of the high concentration of bond defects.

  10. (5S,6R-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

    Directory of Open Access Journals (Sweden)

    Winai Ieawsuwan

    2011-10-01

    Full Text Available The title compound, C15H15BrO2, was synthesized by a Brønsted acid-catalysed domino electrocyclization-halogenation reaction. The five-membered ring is essentially planar (r.m.s. deviation 0.006 Å and forms a dihedral angle of 72.7 (3° with the attached phenyl ring. The six-membered heterocycle adopts a half-chair conformation. The crystal packing is stabilized by a C—H...O contact.

  11. 3,5-Bis(4-methoxyphenyl-1-phenyl-4,5-dihydro-1H-pyrazole

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    Zeliha Baktır

    2011-02-01

    Full Text Available In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å and it makes a dihedral angle of 18.5 (2° with the phenyl ring. The dihedral angles between the phenyl and the two methoxy-substituted phenyl rings are 26.2 (2 and 80.6 (2°. The crystal structure is stabilized by C—H...π stacking interactions and weak π–π interactions [centriod–centroid distance = 3.891 (2 Å].

  12. 1-[3-(2-Nitrophenyl-5-phenyl-2-pyrazolin-1-yl]ethanone

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    Huan-Mei Guo

    2010-07-01

    Full Text Available The title compound, C17H15N3O3, was prepared from 1-(2-nitrophenyl-3-phenylprop-2-en-1-one and hydrazine. The dihedral angle between the benzene and phenyl rings is 74.55 (2°. The pyrazoline ring is in a slight envelope conformation with the C atom bonded to the phenyl ring forming the flap. In the crystal structure, weak intermolecular C—H...O hydrogen bonds connect molecules into chains along [100].

  13. Synthesis of heterocycle-attached methylidenebenzenesulfonohydrazones as antifungal agents.

    Science.gov (United States)

    Gao, Zhinan; Lv, Min; Li, Qin; Xu, Hui

    2015-11-15

    A series of heterocycle-attached methylidenebenzenesulfonohydrazone derivatives were synthesized and evaluated for their antifungal activities against seven phytopathogenic fungi such as Fusarium graminearum, Alternaria solani, Valsa mali, Phytophthora capsici, Fusarium solani, Botrytis cinerea, and Glomerella cingulata. Compounds 7b, 8d, 9a, 9b and 9d exhibited a good and broad-spectrum of antifungal activities against at least five phytopathogenic fungi at the concentration of 100 μg/mL. It demonstrated that addition of one double bond between the phenylsulfonylhydrazone fragment and the furan ring of 6a,b,d could afford more active compounds 9a,b,d; however, introduction of the nitro group on the phenyl ring of 6a-9a gave less potent compounds 6e-9e. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Preparation of nucleoside-pyridine hybrids and pyridine attached acylureas from an unexpected uracil ring-opening and pyridine ring-forming sequence

    Institute of Scientific and Technical Information of China (English)

    Xue Sen Fan; Xia Wang; Xin Ying Zhang; Dong Feng; Ying Ying Qu

    2009-01-01

    Novel pyrimidine nucleoside-3,5-dicyanopyridine hybrids (4) or pyridine attached acylureas (5) were selectively and efficiently prepared from the reaction of 2'-deoxyuridin-5-yl-methylene malonortitrile (1), malononitrile (2) and thiophenol (3) or from an unexpected uracil ring-opening and pyridine ring-forming sequence via the reaction of 1 and 3. It is the first time such a sequence has ever been reported.

  15. 3,5-Bis(4-meth-oxy-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

    Science.gov (United States)

    Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S; Narayana, B; Yathirajan, H S

    2011-01-12

    In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C-H⋯π stacking inter-actions and weak π-π inter-actions [centriod-centroid distance = 3.891 (2) Å].

  16. Design of 8-ft-Diameter Barrel Test Article Attachment Rings for Shell Buckling Knockdown Factor Project

    Science.gov (United States)

    Lovejoy, Andrew E.; Hilburger, Mark W.

    2010-01-01

    The Shell Buckling Knockdown Factor (SBKF) project includes the testing of sub-scale cylinders to validate new shell buckling knockdown factors for use in the design of the Ares-I and Ares-V launch vehicles. Test article cylinders represent various barrel segments of the Ares-I and Ares-V vehicles, and also include checkout test articles. Testing will be conducted at Marshall Space Flight Center (MSFC) for test articles having an eight-foot diameter outer mold line (OML) and having lengths that range from three to ten feet long. Both ends of the test articles will be connected to the test apparatus using attachment rings. Three multiple-piece and one single-piece design for the attachment rings were developed and analyzed. The single-piece design was chosen and will be fabricated from either steel or aluminum (Al) depending on the required safety factors (SF) for test hardware. This report summarizes the design and analysis of these attachment ring concepts.

  17. Novel organic dyes based on phenyl-substituted benzimidazole for dye sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Saltan, Gözde Murat [Department of Chemistry, Faculty of Arts and Science, Celal Bayar University, Yunus Emre, 45140 Manisa (Turkey); Dinçalp, Haluk, E-mail: haluk.dincalp@cbu.edu.tr [Department of Chemistry, Faculty of Arts and Science, Celal Bayar University, Yunus Emre, 45140 Manisa (Turkey); Kıran, Merve; Zafer, Ceylan [Solar Energy Institute, Ege University, Bornova, 35100 Izmir (Turkey); Erbaş, Seçil Çelik [Celal Bayar University, Materials Engineering Department, Faculty of Engineering, Yunus Emre, 45140 Manisa (Turkey)

    2015-08-01

    Two new sensitizers derived from benzimidazole core for dye-sensitized solar cell (DSSC) applications were designed and synthesized as D–π–A structures, in which two phenyl-substituted benzimidazole group, a phenyl ring and a cyanoacrylic acid were used as the electron donor, π-conjugated linkage and the electron acceptor, respectively. Effect of methoxy- and N,N-dimetylamino- moieties attached to the phenyl groups of benzimidazole were investigated by means of optical and photovoltaic measurements. The compounds exhibit broad absorption maximum at 387 nm with the tail extending up to 500 nm on TiO{sub 2}-coated thin film. The longer wavelength absorption band around 360 nm and the much longer decay components could be attributed to the existence of charge transfer state of the dyes in solutions. DSSC device fabricated by using methoxy substituted dye (BI5a) as a sensitizer shows much better incident photon-to-current conversion efficiency (IPCE) of 64% giving cell efficiency of 2.68%. - Graphical abstract: Display Omitted - Highlights: • Long decay times suggest the delayed fluorescence caused by the existence of ICT. • The best solar energy conversion efficiency was obtained for BI5a dye (2.68%). • More fluorescent BI5a dye gives higher photocurrent generation.

  18. Novel organic dyes based on phenyl-substituted benzimidazole for dye sensitized solar cells

    International Nuclear Information System (INIS)

    Saltan, Gözde Murat; Dinçalp, Haluk; Kıran, Merve; Zafer, Ceylan; Erbaş, Seçil Çelik

    2015-01-01

    Two new sensitizers derived from benzimidazole core for dye-sensitized solar cell (DSSC) applications were designed and synthesized as D–π–A structures, in which two phenyl-substituted benzimidazole group, a phenyl ring and a cyanoacrylic acid were used as the electron donor, π-conjugated linkage and the electron acceptor, respectively. Effect of methoxy- and N,N-dimetylamino- moieties attached to the phenyl groups of benzimidazole were investigated by means of optical and photovoltaic measurements. The compounds exhibit broad absorption maximum at 387 nm with the tail extending up to 500 nm on TiO 2 -coated thin film. The longer wavelength absorption band around 360 nm and the much longer decay components could be attributed to the existence of charge transfer state of the dyes in solutions. DSSC device fabricated by using methoxy substituted dye (BI5a) as a sensitizer shows much better incident photon-to-current conversion efficiency (IPCE) of 64% giving cell efficiency of 2.68%. - Graphical abstract: Display Omitted - Highlights: • Long decay times suggest the delayed fluorescence caused by the existence of ICT. • The best solar energy conversion efficiency was obtained for BI5a dye (2.68%). • More fluorescent BI5a dye gives higher photocurrent generation

  19. 5-(2,4-Dichlorophenoxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

    Directory of Open Access Journals (Sweden)

    S. Madan Kumar

    2016-07-01

    Full Text Available In the crystal structure of the title compound, C17H12Cl2N2O2, the pyrazole ring makes dihedral angles of 65.0 (2 and 43.9 (2° with the dichlorophenyl and phenyl rings, respectively. The dihedral angle between the chlorophenyl and phenyl rings is 59.1 (2°. In the crystal, the molecules are linked by C—H...O hydrogen bonds and weak C—Cl...π and C—H...π interactions, generating a three-dimensional network.

  20. Use of an Implant O-Ring Attachment for the Tooth Supported Mandibular Overdenture: A Clinical Report

    Science.gov (United States)

    Guttal, Satyabodh S.; Tavargeri, Anand K.; Nadiger, Ramesh K.; Thakur, Srinath L.

    2011-01-01

    Retention of a mandibular denture can be achieved by an implant-retained or natural tooth-retained bar and stud attachment in the anterior segment of the mandible. The same design principles holds true for both implant-retained and tooth-retained methods of anchoring the bar and stud attachment. A simple and cost effective treatment for more complex implant overdenture is the concept of conventional tooth-retained overdentures. When few firm teeth still remain in a compromised dentition, preservation of these teeth for overdentures can improve retention and stability. The authors present a clinical report of a patient treated with a mandibular tooth-borne overdenture with bar and O-ring attachment. A splinted bar supported the prosthesis and an O-ring retained the denture. PMID:21769276

  1. Use of an implant o-ring attachment for the tooth supported mandibular overdenture: a clinical report.

    Science.gov (United States)

    Guttal, Satyabodh S; Tavargeri, Anand K; Nadiger, Ramesh K; Thakur, Srinath L

    2011-07-01

    Retention of a mandibular denture can be achieved by an implant-retained or natural tooth-retained bar and stud attachment in the anterior segment of the mandible. The same design principles holds true for both implant-retained and tooth-retained methods of anchoring the bar and stud attachment. A simple and cost effective treatment for more complex implant overdenture is the concept of conventional tooth-retained overdentures. When few firm teeth still remain in a compromised dentition, preservation of these teeth for overdentures can improve retention and stability. The authors present a clinical report of a patient treated with a mandibular tooth-borne overdenture with bar and O-ring attachment. A splinted bar supported the prosthesis and an O-ring retained the denture.

  2. 1-Acetyl-5-ferrocenyl-3-phenyl-2-pyrazoline

    Directory of Open Access Journals (Sweden)

    Orhan Büyükgüngör

    2009-02-01

    Full Text Available In the title compound, [Fe(C5H5(C16H15N2O], the pyrazoline ring and the phenyl ring are nearly coplanar, making a dihedral angle of 6.54 (2°, while the substituted cyclopentadienyl ring is twisted out of the pyrazoline ring plane by 81.32 (1°. The molecules in the crystal structure are held together by weak C—H...O intermolecular hydrogen bonds and two C—H...π interactions.

  3. Anti-leishmanial and structure-activity relationship of ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl-2-propen-1-one derivatives

    Directory of Open Access Journals (Sweden)

    Asunción Burguete

    2008-12-01

    Full Text Available A series of ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl-2-propen-1-one derivatives were synthesized and tested for in vitro leishmanicidal activity against amastigotes of Leishmania amazonensis in axenical cultures and murine infected macrophages. Structure-activity relationships demonstrated the importance of a radical methoxy at position R3', R4' and R5'. (2E-3-(3,4,5-trimethoxy-phenyl-1-(3,6,7-trimethyl-1,4-dioxy-quinoxalin-2-yl-propenone was the most active. Cytotoxicity on macrophages revealed that this product was almost six times more active than toxic.

  4. Understanding the scale of the single ion free energy: A critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumption

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Mundy, Christopher J.

    2018-06-01

    The tetra-phenyl arsonium and tetra-phenyl borate (TATB) assumption is a commonly used extra-thermodynamic assumption that allows single ion free energies to be split into cationic and anionic contributions. The assumption is that the values for the TATB salt can be divided equally. This is justified by arguing that these large hydrophobic ions will cause a symmetric response in water. Experimental and classical simulation work has raised potential flaws with this assumption, indicating that hydrogen bonding with the phenyl ring may favor the solvation of the TB- anion. Here, we perform ab initio molecular dynamics simulations of these ions in bulk water demonstrating that there are significant structural differences. We quantify our findings by reproducing the experimentally observed vibrational shift for the TB- anion and confirm that this is associated with hydrogen bonding with the phenyl rings. Finally, we demonstrate that this results in a substantial energetic preference of the water to solvate the anion. Our results suggest that the validity of the TATB assumption, which is still widely used today, should be reconsidered experimentally in order to properly reference single ion solvation free energy, enthalpy, and entropy.

  5. 3,5-Bis(4-meth­oxy­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole

    OpenAIRE

    Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.

    2011-01-01

    In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two methoxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C—H...π stacking interactions and weak π–π interactions [cen...

  6. 1-[(Oxiran-2-ylmethyl]-3-phenyl-1,2-dihydroquinoxalin-2-one

    Directory of Open Access Journals (Sweden)

    Nadeem Abad

    2018-04-01

    Full Text Available The asymmetric unit of the title compound, C17H14N2O2, consists of two independent molecules differing mainly in the orientations of the phenyl and oxirane substituents. In the first molecule, the dihedral angle between the dihydroquinoxaline ring system and phenyl ring is 28.4 (2° and the N—C—C—O torsion angle is 87.8 (5°; corresponding data for the second molecule are 23.1 (2 and −85.6 (5°, respectively. In the crystal, offset π-stacking interactions between the dihydroquinoxaline moieties form oblique stacks, which are connected into layers parallel to the bc plane by C—H...O hydrogen bonds and C—H...π(ring interactions. Additional C—H...π(ring interactions tie the layers together. The model was refined as a two-component twin.

  7. 3,5-Bis(4-meth­oxy­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole

    Science.gov (United States)

    Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.

    2011-01-01

    In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth­oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C—H⋯π stacking inter­actions and weak π–π inter­actions [centriod–centroid distance = 3.891 (2) Å]. PMID:21523013

  8. Crystal structure of 3-({[(morpholin-4-yl)carbono-thio-yl]sulfan-yl}acet-yl)phenyl benzoate.

    Science.gov (United States)

    Ambekar, Sachin P; Mahesh Kumar, K; Shirahatti, Arun Kumar M; Kotresh, O; Anil Kumar, G N

    2014-11-01

    In the title compound, C20H19NO4S2, the morpholine ring adopts the expected chair conformation. The central phenyl ring makes dihedral angles of 67.97 (4) and 7.74 (3)°, respectively, with the benzoate phenyl ring and the morpholine mean plane. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming zigzag chains along the b-axis direction. C-H⋯π inter-actions link centrosymmetrically related mol-ecules, reinforcing the three-dimensional structure.

  9. 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].

  10. Crystal structure of 1-methoxy-5-methyl-N-phenyl-1,2,3-triazole-4-carboxamide

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    Inna S. Khazhieva

    2015-10-01

    Full Text Available The title compound, C11H12N4O2,was prepared via the transformation of sodium 4-acetyl-1-phenyl-1H-[1.2.3]triazolate under the action of methoxyamine hydrochloride. The dihedral angle between the triazole and phenyl rings is 25.12 (16° and the C atom of the methoxy group deviates from the triazole plane by 0.894 (4Å. The conformation of the CONHR-group is consolodated by an intramolecular N—H...N hydrogen bond to an N-atom of the triazole ring, which closes an S(5 ring. In the crystal, weak N—H...N hydrogen bonds link the molecules into C(6 [010] chains.

  11. Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases

    Science.gov (United States)

    Kluba, M.; Lipkowski, P.; Filarowski, A.

    2008-10-01

    This Letter presents a study of the tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases. The influence of substitution and solvent (simulated by the self-consistent reaction field model, SCRF) on the energy barrier of the transition state and on proton transfer is investigated. Dependencies of the HOMA and HOSE aromaticity indices on the molecular, transition state, and proton transfer forms were obtained. The state of chelate chain and phenyl ring aromaticity depending on the tautomeric equilibrium is studied.

  12. Crystal structure of 3-({[(morpholin-4-yl)carbono­thio­yl]sulfan­yl}acet­yl)phenyl benzoate

    Science.gov (United States)

    Ambekar, Sachin P.; Mahesh Kumar, K.; Shirahatti, Arun Kumar M.; Kotresh, O.; Anil Kumar, G. N.

    2014-01-01

    In the title compound, C20H19NO4S2, the morpholine ring adopts the expected chair conformation. The central phenyl ring makes dihedral angles of 67.97 (4) and 7.74 (3)°, respectively, with the benzoate phenyl ring and the morpholine mean plane. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming zigzag chains along the b-axis direction. C—H⋯π inter­actions link centrosymmetrically related mol­ecules, reinforcing the three-dimensional structure. PMID:25484757

  13. Crystal structure of (E-13-{4-[(Z-2-cyano-2-(3,4,5-trimethoxyphenylethenyl]phenyl}parthenolide methanol hemisolvate

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    Narsimha Reddy Penthala

    2014-10-01

    Full Text Available The title compound, C33H35NO6 [systematic name: (Z-3-(4-{(E-[(E-1a,5-dimethyl-9-oxo-2,3,7,7a-tetrahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-8(1aH,6H,9H,10aH,10bH-ylidene]methyl}phenyl-2-(3,4,5-trimethoxyphenylacrylonitrile methanol hemisolvate], C33H35NO6·0.5CH3OH, was prepared by the reaction of (Z-3-(4-iodophenyl-2-(3,4,5-trimethoxyphenylacrylonitrile with parthenolide [systematic name: (E-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-9(1aH-one] under Heck reaction conditions. The molecule is built up from fused ten-, five- (lactone and three-membered (epoxide rings with a {4-[(Z-2-cyano-2-(3,4,5-trimethoxyphenylethenyl]phenyl}methylidene group as a substituent. The 4-[(Z-2-cyano-2-(3,4,5-trimethoxyphenylethenyl]phenyl group on the parthenolide exocyclic double bond is oriented in a trans position to the lactone ring to form the E isomer. The dihedral angle between the benzene ring of the phenyl moiety and the lactone ring mean plane is 21.93 (4°.

  14. Phenyl N-(2-methylphenylcarbamate

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    Durre Shahwar

    2009-07-01

    Full Text Available In the title compound, C14H13NO2, the aromatic rings attached to the O and N atoms make dihedral angles of 62.65 (9 and 38.28 (11°, respectively, with the central carbamate group. The benzene rings are oriented at a dihedral angle of 39.22 (10°. In the crystal, a very weak C—H...π interaction occurs.

  15. 2-[3-(4-Methoxyphenyl-1-phenyl-1H-pyrazol-5-yl]phenol

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available The title compound, C22H18N2O2, was derived from 1-(2-hydroxyphenyl-3-(4-methoxyphenylpropane-1,3-dione. The central pyrazole ring forms dihedral angles of 16.83 (5, 48.97 (4 and 51.68 (4°, respectively, with the methoxyphenyl, phenyl and hydroxyphenyl rings. The crystal packing is stabilized by O—H...N hydrogen bonding.

  16. 1-O-Acetyl-3,4,6-tri-O-benzyl-2-C-bromomethyl-2-deoxy-α-d-glucopyranose

    Directory of Open Access Journals (Sweden)

    Henok H. Kinfe

    2013-01-01

    Full Text Available In the title compound, C30H33BrO6, the pyranose ring adopts a chair conformation. Two of the O-benzyl phenyl rings lie almost perpendicular to C/C/C/O plane formed by the ring atoms not attached to these O-benzyl phenyl rings, and form dihedral angles of 85.1 (2 and 64.6 (2°, while the third O-benzyl phenyl ring is twisted so that it makes a dihedral angle 34.9 (2° to this C/C/C/O plane. This twist is ascribed to the formation of an S(8 loop stabilized by a weak intramolecular C—H...O hydrogen bond.

  17. 3-Phenyl-6-(2-pyridyl-1,2,4,5-tetrazine

    Directory of Open Access Journals (Sweden)

    Daniel Chartrand

    2008-01-01

    Full Text Available The title compound, C13H9N5, is the first asymmetric diaryl-1,2,4,5-tetrazine to be crystallographically characterized. We have been interested in this motif for incorporation into supramolecular assemblies based on coordination chemistry. The solid state structure shows a centrosymmetric molecule, forcing a positional disorder of the terminal phenyl and pyridyl rings. The molecule is completely planar, unusual for aromatic rings with N atoms in adjacent ortho positions. The stacking observed is very common in diaryltetrazines and is dominated by π stacking [centroid-to-centroid distance between the tetrazine ring and the aromatic ring of an adjacent molecule is 3.6 Å, perpendicular (centroid-to-plane distance of about 3.3 Å].

  18. Microwave Accelerated Polymerization of 2-Phenyl-2-Oxazoline: Microwave or Temperature Effects?

    NARCIS (Netherlands)

    Hoogenboom, R.; Leenen, M.A.M.; Wiesbrock, F.D.; Schubert, U.S.

    2005-01-01

    Summary: Investigations regarding the cationic ring-opening polymerization of 2-phenyl-2-oxazoline under microwave irradiation and conventional heating are reported. This study was inspired by contradictory reports of the (non-)existence of non-thermal microwave effects that might accelerate the

  19. t-3-Benzyl-r-2,c-6-diphenylpiperidin-4-one oxime

    Directory of Open Access Journals (Sweden)

    R. Arulraj

    2016-12-01

    Full Text Available In the title compound, C24H24N2O [systematic name: (E-3-benzyl-2,6-diphenylpiperidin-4-one oxime], the piperidine ring adopts a slightly distorted chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially. The oxime group makes a dihedral angle of 42.88 (12° with the piperidine ring. The dihedral angle between the phenyl rings is 71.96 (8°. The benzyl ring makes dihedral angles of 63.01 (8 and 59.35 (8° with the two phenyl rings. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming C(7 chains along the c axis. The chains are linked by C—H...π interactions, forming slabs lying parallel to the bc plane.

  20. (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.

  1. Crystal structure of 1-{4-hydroxy-3-[(pyrrolidin-1-ylmethyl]phenyl}-3-phenylprop-2-en-1-one

    Directory of Open Access Journals (Sweden)

    Abdullah Aydın

    2016-05-01

    Full Text Available In the title compound, C20H21NO2, the pyrrolidine ring adopts an envelope conformation with the N atom at the flap position. The central benzene ring makes dihedral angles of 21.39 (10 and 80.10 (15° with the phenyl ring and the mean plane of the pyrrolidine ring, respectively. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond, which closes an S(6 ring. A weak C—H...π interaction is observed in the crystal.

  2. (1S,3S,4S-tert-Butyl N-[1-benzyl-3-hydroxy-5-phenyl-4-(picolinamidopentyl]carbamate

    Directory of Open Access Journals (Sweden)

    Jian-Feng Zheng

    2008-07-01

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

  3. Synthesis of 3-(4, 5-dihydro-1-phenyl-5-substituted phenyl-1H-pyrazol-3-yl-2H-chromen-2-one derivatives and evaluation of their anticancer activity

    Directory of Open Access Journals (Sweden)

    Nitin Kumar

    2017-05-01

    Full Text Available A novel series of 3-(4, 5-dihydro-1-phenyl-5-substituted phenyl-1H-pyrazol-3-yl-2H-chromen-2-one derivatives were synthesized. In the first step salicylaldehyde was reacted with ethylacetoacetate at room temperature by stirring which gives compound (I. Compound (I when refluxed with substituted benzaldehyde and diethylamine in the presence of n-butanol for 4–5 h gives substituted derivatives (IIa–d. Compounds synthesized in step 2 when refluxed with phenyl hydrazine in the presence of pyridine for 6–7 h gives the title compounds (IIIa–d. All the synthesized compounds were sent to NCI for anticancer activity. Synthesized compounds were tested for anticancer activity against 60 different cell lines. From the data thus obtained it was observed that simple coumarin ring derivatives were more effective in inhibiting the growth of cancerous cell lines, than coumarin-pyrazoline derivatives. Among all the synthesized compounds, irrespective of compounds having simple coumarin ring and coumarin-pyrazoline combination, compounds IIa–c, IIIb and IIId were potent anticancer agents. Compounds were active for the single dose therapeutic program at the dose of 1.00E-5 molar concentration. The main anti cancer activity is assumed to be due to the presence of the lactone structure in coumarin moiety.

  4. (E-4-(2,5-Dimethoxybenzylidene-2-phenyl-1,3-oxazol-5(4H-one

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    Abdullah Mohamed Asiri

    2009-08-01

    Full Text Available The central azalactone ring in the title compound, C18H15NO4, is planar (r.m.s. deviation 0.05, 0.12 Å in both independent molecules comprising the asymmetric unit. The benzylidene substituent is coplanar with this ring [dihedral angle between the planes = 1.8 (1° in the first molecule and 2.8 (1° in the second], as is the phenyl substitutent [dihedral angle between rings = 4.6 (1 and 9.7 (1°, respectively].

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

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    Mohammed Naas

    2016-06-01

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

  6. 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.

  7. 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.

  8. 4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl-1,3-diphenyl-1H-pyrazole

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-11-01

    Full Text Available The title compound, C30H24N4, contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1 and 0.066 (1 Å and make a dihedral angle of 73.43 (6°. The two pyrazole rings make dihedral angles of 40.08 (6, 9.28 (6, 15.78 (8 and 17.25 (7° with their attached phenyl rings. In the crystal, there are no significant intermolecular hydrogen-bonding interactions. The crystal structure is stabilized by C—H...π interactions.

  9. 1-Phenyl-5-{[2-(trimethylsilylethyl]sulfonyl}-1H-tetrazole

    Directory of Open Access Journals (Sweden)

    David Tymann

    2011-09-01

    Full Text Available The title compound, C12H18N4O2SSi, was synthesized to be employed in a Julia–Kocieński olefination. In the molecule, the dihedral angle between the phenyl ring and the tetrazole ring is 41.50 (5°. The significantly longer Si—C(methylene bond [1.8786 (13 Å] and the shortened adjacent C—C bond [1.5172 (18 Å], as well as the significant deviation of the corresponding Si—C—C angle [114.16 (9°] from the ideal tetrahedral angle, can be attributed to the β-effect of silicon. In the crystal, molecules are held together by van der Waals interactions.

  10. Investigations into the construction of the pentasubstituted ring C of Neosurugatoxin – a crystallographic study

    Directory of Open Access Journals (Sweden)

    Alan M. Jones

    2016-01-01

    Full Text Available The crystal structures of three cyclopenta[c]furans with various substituents at the 4-, 5- and 6-positions of the ring system are reported, namely, (±-(3aR,4S,5S,6aS-4-methyl-5-phenylhexahydro-1H-cyclopenta[c]furan-4,5-diol, C14H18O3, (I, (±-(3aR,4S,5S,6aS-4-benzyloxy-4-methyl-5-phenylhexahydro-1H-cyclopenta[c]furan-5-ol, C21H24O3, (II, and (±-(1aR,1bS,4aR,5S,5aR-5-benzyloxy-5-methyl-5a-phenylhexahydro-2H-oxireno[2′,3′:3,4]cyclopenta[1,2-c]furan, C21H22O3, (III. The dominant interaction in (I and (II is an O—H...O hydrogen bond across the bicyclic 5,5-ring system between the non-functionalized hydroxy group and the tetrahydrofuran O atom, which appears to influence the envelope conformations of the fused five-membered rings, whereas in (III, the rings have different conformations. A weak intramolecular C—H...O interaction appears to influence the degree of tilt of the phenyl ring attached to the 5-position and is different in (I compared to (II and (III.

  11. Synthesis and structure-activity relationship exploration of some potent anti-cancer phenyl amidrazone derivatives.

    Science.gov (United States)

    Habashneh, Almeqdad Y; El-Abadelah, Mustafa M; Bardaweel, Sanaa K; Taha, Mutasem O

    2017-12-04

    Amidrazones have been reported to have significant anti-tumor properties against several cancer cell lines. The current project aims to profile the structure-anticancer activity relationship of phenyl-amidrazons. Fifteen phenyl-amidrazone-piperazine derivatives were prepared and tested against four cancer cell lines (leukemia, prostate, breast and colon cancers). Six compounds illustrated low micromolar anticancer IC50 values, while the remaining compounds were either inactive or of moderate potencies. All compounds were virtually nontoxic against normal fibroblast cells. Docking into the oncogenic kinase bcr/abl illustrated the critical importance of (i) p-halogen substituent on the ligand's phenyl ring and (ii) the presence of positive ionizable moiety at the ligand's piperazine fragment for anticancer activity. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  12. 3-Phenyl-6-(2-pyrid­yl)-1,2,4,5-tetra­zine

    OpenAIRE

    Chartrand, Daniel; Laverdière, François; Hanan, Garry

    2007-01-01

    The title compound, C13H9N5, is the first asymmetric diaryl-1,2,4,5-tetrazine to be crystallographically characterized. We have been interested in this motif for incorporation into supramolecular assemblies based on coordination chemistry. The solid state structure shows a centrosymmetric molecule, forcing a positional disorder of the terminal phenyl and pyridyl rings. The molecule is completely planar, unusual for aromatic rings with N atoms in adjacent ortho positions. The stacking observed...

  13. {2,6-Bis[(di-tert-butyl-phosphino)-methyl]-phenyl}chloridonickel(II).

    Science.gov (United States)

    Boro, Brian J; Dickie, Diane A; Goldberg, Karen I; Kemp, Richard A

    2008-09-20

    In the title compound, [Ni(C(24)H(43)P(2))Cl], the Ni atom adopts a distorted square-planar geometry, with the P atoms of the 2,6-bis-[(di-tert-butyl-phosphino)meth-yl]phenyl ligand trans to one another. The P-Ni-P plane is twisted out of the plane of the aromatic ring by 21.97 (6)°.

  14. 2,3-Di­phenyl­male­imide 1-methyl­pyrrol­idin-2-one monosolvate

    Science.gov (United States)

    Bulatov, Evgeny; Boyarskaya, Dina; Chulkova, Tatiana; Haukka, Matti

    2014-01-01

    In the title compound, C16H11NO2·C5H9NO, the dihedral angles between the male­imide and phenyl rings are 34.7 (2) and 64.8 (2)°. In the crystal, the 2,3-di­phenyl­male­imide and 1-methyl­pyrrolidin-2-one mol­ecules form centrosymmetrical dimers via pairs of strong N—H⋯O hydrogen bonds and π–π stacking inter­actions between the two neighboring male­imide rings [centroid–centroid distance = 3.495 (2) Å]. The dimers are further linked by weak C—H⋯O and C—H⋯π hydrogen bonds into a three-dimensional framework. PMID:24764976

  15. Crystal structure of (E-N-phenyl-N′-[1-(thiophen-2-ylethylidene]formohydrazide

    Directory of Open Access Journals (Sweden)

    C. S. Dileep

    2014-09-01

    Full Text Available In the title compound, C13H12N2OS, the planes of the thiophene and phenyl rings are nearly perpendicular to each other, making a dihedral angle of 86.42 (12°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a helical chain along the b-axis direction.

  16. Undoped poly (phenyl sulfone) for radiation detection

    International Nuclear Information System (INIS)

    Nakamura, Hidehito; Shirakawa, Yoshiyuki; Sato, Nobuhiro; Kitamura, Hisashi; Takahashi, Sentaro

    2015-01-01

    Undoped aromatic ring polymers are potential scintillation materials. Here, we characterise poly (phenyl sulfone) (PPSU) for radiation detection. The amber-coloured transparent resin emits bluish-white fluorescence with 390-nm maximum. It has an excitation maximum of 340 nm, and has a density of 1.29 g/cm 3 . The effective refractive index based on its emission spectrum is 1.75. The light yield is almost equal to that of poly (ethylene terephthalate), which is a transparent resin. These results demonstrate that PPSU can be used as a component substrate in polymer blends for altering optical characteristics. - Highlights: • Poly (phenyl sulfone) (PPSU) has suitable characteristics as a scintillation material. • PPSU is an amber-coloured transparent resin that emits bluish white fluorescence with 390-nm maximum. • The 1.75 effective refractive index over the emission spectrum is relatively high. • The light yield is 0.95 times that of poly (ethylene terephthalate), which is a transparent resin. • PPSU can potentially alter optical characteristics in polymer blends

  17. Rank 2 fusion rings are complete intersections

    DEFF Research Database (Denmark)

    Andersen, Troels Bak

    We give a non-constructive proof that fusion rings attached to a simple complex Lie algebra of rank 2 are complete intersections.......We give a non-constructive proof that fusion rings attached to a simple complex Lie algebra of rank 2 are complete intersections....

  18. Design, synthesis, and biological activity of 5'-phenyl-1,2,5,6-tetrahydro-3,3'-bipyridine analogues as potential antagonists of nicotinic acetylcholine receptors.

    Science.gov (United States)

    Jin, Yafei; Huang, Xiaoqin; Papke, Roger L; Jutkiewicz, Emily M; Showalter, Hollis D; Zhan, Chang-Guo

    2017-09-15

    Starting from a known non-specific agonist (1) of nicotinic acetylcholine receptors (nAChRs), rationally guided structural-based design resulted in the discovery of a small series of 5'-phenyl-1,2,5,6-tetrahydro-3,3'-bipyridines (3a-3e) incorporating a phenyl ring off the pyridine core of 1. The compounds were synthesized via successive Suzuki couplings on a suitably functionalized pyridine starting monomer 4 to append phenyl and pyridyl substituents off the 3- and 5-positions, respectively, and then subsequent modifications were made on the flanking pyridyl ring to provide target compounds. Compound 3a is a novel antagonist, which is highly selective for α3β4 nAChR (K i =123nM) over the α4β2 and α7 receptors. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. 1-[(6-Chloro-3-pyridylmethyl]-N-(4-ethoxyphenyl-3-phenyl-1H-pyrazole-5-carboxamide

    Directory of Open Access Journals (Sweden)

    Zheng Tang

    2009-04-01

    Full Text Available In the title compound, C24H21ClN4O2, the pyrazole ring makes dihedral angles of 7.70 (11, 89.17 (11 and 40.68 (11° with the phenyl, pyridine and ethoxyphenyl rings, respectively. There are some intramolecular C—H...O and C—H...π bonds giving rigidity to the molecule, while weak intermolecular N—H...N and C—H...π hydrogen bonds link the molecules into a two-dimensional structure.

  20. The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.

    Science.gov (United States)

    Zhu, Shuguang; Schriver, Melbourne J; Hendsbee, Arthur D; Masuda, Jason D

    2017-11-01

    The syntheses and crystal structures of two isomers of phenyl iso-thia-zolyl oxa-thia-zolone, C 11 H 6 N 2 O 2 S 2 , are described [systematic names: 5-(3-phenyl-iso-thia-zol-5-yl)-1,3,4-oxa-thia-zol-2-one, (I), and 5-(3-phenyl-iso-thia-zol-4-yl)-1,3,4-oxa-thia-zol-2-one, (II)]. There are two almost planar (r.m.s. deviations = 0.032 and 0.063 Å) mol-ecules of isomer (I) in the asymmetric unit, which form centrosymmetric tetra-mers linked by strong S⋯N [3.072 (2) Å] and S⋯O contacts [3.089 (1) Å]. The tetra-mers are π-stacked parallel to the a -axis direction. The single mol-ecule in the asymmetric unit of isomer (II) is twisted into a non-planar conformation by steric repulsion [dihedral angles between the central iso-thia-zolyl ring and the pendant oxa-thia-zolone and phenyl rings are 13.27 (6) and 61.18 (7)°, respectively], which disrupts the π-conjugation between the heteroaromatic iso-thia-zoloyl ring and the non-aromatic oxa-thia-zolone heterocycle. In the crystal of isomer (II), the strong S⋯O [3.020 (1) Å] and S⋯C contacts [3.299 (2) Å] and the non-planar structure of the mol-ecule lead to a form of π-stacking not observed in isomer (I) or other oxa-thia-zolone derivatives.

  1. 1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-en-2-ol

    Directory of Open Access Journals (Sweden)

    Moha Berraho

    2013-08-01

    Full Text Available The title compound, C17H21NO2, was synthesized by the reaction of (1R-(+-3-benzylcamphor and hydroxylamine. The oxazole ring makes a dihedral angle of 23.42 (16° with the phenyl ring. The six-membered ring of the norboryl group adopts a boat conformation, whereas each of the five-membered rings of the norboryl group displays a flattened envelope conformation, with the C atom carrying the methyl groups representing the flap for both rings. In the crystal, molecules are linked into zigzag chains propagating along the b axis by O—H...N hydrogen bonds.

  2. Ethyl 2-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-1-ylacetate

    Directory of Open Access Journals (Sweden)

    Mohammed Yassin Hjouji

    2016-05-01

    Full Text Available In the title compound, C16H14BrN3O2, the fused-ring system is essentially planar, with the largest deviation from the mean plane being 0.0216 (15 Å for the substituted N atom of the five-membered ring, the plane of which makes dihedral angles of 28.50 (7 and 77.48 (7° with the terminal phenyl ring and the ethoxycarbonylmethyl group mean planes, respectively. In the crystal, C—H...N hydrogen bonds link the molecules into inversion dimers. These combine with weak C—H...N contacts to stack the molecules into columns along the b-axis direction.

  3. Leaching of dieldrin, permethrin, phenyl urea and 4-CL phenyl urea pesticides from soil

    International Nuclear Information System (INIS)

    Onal, G.

    1978-01-01

    Leaching of four 14 C-labelled pesticides (dieldrin, permethrin, phenyl urea and 4-Cl phenyl urea) were investigated. It was found that dieldrin and permethrin were not leached from soil but adsorbed by the soil; phenyl urea and 4-CL phenyl urea were leached to a 7.5 cm depth

  4. 5-(4-Methoxyphenyl-4-methyl-1-phenyl-3-p-tolyl-1H-pyrazole

    Directory of Open Access Journals (Sweden)

    Yahya Ben Soumane

    2017-11-01

    Full Text Available The title compound, C24H22N2O, crystallizes with two independent molecules (A and B in the asymmetric unit. The phenyl, p-tolyl and p-methoxyphenyl rings are inclined to the pyrazole ring by 42.5 (2, 17.68 (19 and 52.20 (19°, respectively, in molecule A, and by 39.5 (2, 40.77 (19 and 59.76 (18°, respectively, in molecule B. In the asymmetric unit, the pyrarole ring of molecule A makes a dihedral angle of 3.7 (2° with that of molecule B. In the crystal, the two independent molecules are linked to each other by a C—H...O hydrogen bond.

  5. Effects of temperature and isotopic substitution on electron attachment dynamics of guanine–cytosine base pair: Ring-polymer and classical molecular dynamics simulations

    International Nuclear Information System (INIS)

    Minoshima, Yusuke; Seki, Yusuke; Takayanagi, Toshiyuki; Shiga, Motoyuki

    2016-01-01

    Highlights: • Dynamics of excess electron attachment to guanine–cytosine base pair. • Ring-polymer and classical molecular dynamics simulations are performed. • Temperature and isotope substitution effects are investigated. - Abstract: The dynamical process of electron attachment to a guanine–cytosine pair in the normal (h-GC) and deuterated (d-GC) forms has been studied theoretically by semiclassical ring-polymer molecular dynamics (RPMD) simulations using the empirical valence bond model. The initially formed dipole-bound anion is converted rapidly to the valence-bound anion within about 0.1 ps in both h-GC and d-GC. However, the subsequent proton transfer in h-GC occurs with a rate five times greater than the deuteron transfer in d-GC. The change of rates with isotopic substitution and temperature variation in the RPMD simulations are quantitatively and qualitatively different from those in the classical molecular dynamics (MD) simulations, demonstrating the importance of nuclear quantum effects on the dynamics of this system.

  6. Effects of temperature and isotopic substitution on electron attachment dynamics of guanine–cytosine base pair: Ring-polymer and classical molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Minoshima, Yusuke; Seki, Yusuke [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Takayanagi, Toshiyuki, E-mail: tako@mail.saitama-u.ac.jp [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Shiga, Motoyuki [Center for Computational Science and E-Systems, Japan Atomic Energy Agency, 148-4, Kashiwanoha Campus, 178-4 Wakashiba, Kashiwa, Chiba 277-0871 (Japan)

    2016-06-15

    Highlights: • Dynamics of excess electron attachment to guanine–cytosine base pair. • Ring-polymer and classical molecular dynamics simulations are performed. • Temperature and isotope substitution effects are investigated. - Abstract: The dynamical process of electron attachment to a guanine–cytosine pair in the normal (h-GC) and deuterated (d-GC) forms has been studied theoretically by semiclassical ring-polymer molecular dynamics (RPMD) simulations using the empirical valence bond model. The initially formed dipole-bound anion is converted rapidly to the valence-bound anion within about 0.1 ps in both h-GC and d-GC. However, the subsequent proton transfer in h-GC occurs with a rate five times greater than the deuteron transfer in d-GC. The change of rates with isotopic substitution and temperature variation in the RPMD simulations are quantitatively and qualitatively different from those in the classical molecular dynamics (MD) simulations, demonstrating the importance of nuclear quantum effects on the dynamics of this system.

  7. (3R,6S,7aS-3-Phenyl-6-(phenylsulfanylperhydropyrrolo[1,2-c]oxazol-5-one

    Directory of Open Access Journals (Sweden)

    Anthony D. Woolhouse

    2009-05-01

    Full Text Available Molecules of the title compound [systematic name: (2R,5S,7S-2-phenyl-7-phenylsulfanyl-1-aza-3-oxabicyclo[3.3.0]octan-8-one], C18H17NO2S, form high quality crystals even though they are only packed using C—H...O(carbonyl and weak C—H...S interactions. The dihedral angle between the aromatic rings is 85.53 (5°. The fused rings adopt envelope and twist conformations.

  8. Crystal structure of 3-methyl-1-phenyl-5-(1H-pyrrol-1-yl-1H-pyrazole-4-carbaldehyde

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2014-10-01

    Full Text Available In the title compound, C15H13N3O, the pyrrolyl and phenyl rings make dihedral angles of 58.99 (5 and 34.95 (5°, respectively, with the central pyrazole ring. In the crystal, weak, pairwise C—H...O interactions across centers of symmetry form dimers, which are further associated into corrugated sheets running approximately parallel to (100 via weak C—H...N interactions.

  9. 3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

    Directory of Open Access Journals (Sweden)

    Shaaban K. Mohamed

    2016-04-01

    Full Text Available In the title compound, C16H12N4OS, the bicyclic triazolothiadiazole core is approximately planar, with an r.m.s. deviation of 0.018 Å. The phenyl rings are inclined to its mean plane by 7.66 (7 and 71.79 (7°. In the crystal, molecules are linked via a C—H...π interaction and a π–π interaction [intercentroid distance = 3.2942 (9 Å] involving inversion-related triazole rings. These interactions result in the formation of chains propagating along [10-1].

  10. Tritium labeling of simple 7-membered ring compounds

    International Nuclear Information System (INIS)

    Hiltunen, J.; Peng, C.T.; Yang, Z.C.

    1990-01-01

    Seven-membered ring compounds, from cycloheptane to complex ring structures containing heteroatoms, substituents and fused phenyl rings, were labeled with tritium, using activated and adsorbed tritium. The 7-membered ring structures are generally stable towards reactions with tritium, which allows compounds like 1-benzosuberone, 1-aza-2-methoxy-1-cycloheptane, iminostilbene and clozapine to be labeled to reasonably high specific activities. The best method varies greatly from compound to compound. By optimizing the labeling conditions and use of efficient support exceptionally good results can be obtained. The Pd-on-alumina support gives consistently higher specific activity and less radioimpurity than other supports. Even molecules containing carbon-halogen bond and hydrogen bound to nitrogen can usually be labeled with tritium at stable positions and without dehalogenation. (author)

  11. 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

    Directory of Open Access Journals (Sweden)

    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.

  12. Ethyl 5-cyano-4-[2-(2,4-dichlorophenoxyacetamido]-1-phenyl-1H-pyrrole-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Jing Xu

    2009-08-01

    Full Text Available In the title compound, C22H17Cl2N3O4, the pyrrole ring and the 2,4-dichlorophenyl group form a dihedral angle of 8.14 (13°; the phenyl ring is twisted with respect to the pyrrole ring, forming a dihedral angle of 60.77 (14°. The C=O bond length is 1.213 (3 Å, indicating that the molecule is in the keto form, associated with a –CONH– group, and the amide group adopts the usual trans conformation. The molecule is stabilized by an intramolecular N—H...O hydrogen-bonding interaction. In the crystal, the stacked molecules exhibit intermolecular C—H...O and C—H...N hydrogen-bonding interactions.

  13. 2,4,8,10,13-Pentamethyl-6-phenyl-13,14-dihydro-12H-6λ5-dibenzo[d,i][1,3,7,2]dioxazaphosphecin-6-thione

    Directory of Open Access Journals (Sweden)

    M. Krishnaiah

    2010-01-01

    Full Text Available In the title compound, C25H28NO2PS, the cyclodecene ring exhibits a crown conformation. The two dimethylbenzene rings which are fused symmetrically on either side of the ten-membered ring, make dihedral angles of 20.2 (1 and 18.0 (1°. The phenyl ring substituted at P is perpendicular to the heterocyclic ring, making a dihedral angle of 88.4 (1°. The crystal structure is stabilized by very weak intramolecular C—H...O hydrogen bonding.

  14. Fragrance material review on 4-phenyl-3-buten-2-ol.

    Science.gov (United States)

    Scognamiglio, J; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of 4-phenyl-3-buten-2-ol when used as a fragrance ingredient is presented. 4-Phenyl-3-buten-2-ol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a secondary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-C-(R1)(R2)OH or Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 4-phenyl-3-buten-2-ol were evaluated then summarized and includes physical properties, and genotoxicity data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Aryl Alkyl Alcohols in fragrances. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. Nondoped deep blue OLEDs based on Bis-(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles

    International Nuclear Information System (INIS)

    Huang, Bin; Yin, Zhihui; Ban, Xinxin; Ma, Zhongming; Jiang, Wei; Tian, Wenwen; Yang, Min; Ye, Shanghui; Lin, Baoping; Sun, Yueming

    2016-01-01

    Two bipolar materials based on 9-phenylcarbazole and diphenyl sulfone for nondoped deep blue OLEDs, namely bis-(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles, have been designed and synthesized by Suzuki coupling reactions. Their thermal, photophysical, and electrochemical properties have been systematically investigated. The nondoped devices using 3,6–bis–(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles and 2,7-bis-(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles as the emitters show deep blue emission color with peaks at 424 and 444 nm, and the Commission Internationale de l'Eclairage (CIE) coordinates of (0.177, 0.117) and (0.160, 0.117), respectively. Furthermore, these materials based devices have high color-purity with small width at half-maximum (FWHM) of 65 and 73 nm, respectively. The results provide a novel approach for the design of deep blue emitter for nondoped OLEDs.

  16. Biophysical properties of phenyl succinic acid derivatised hyaluronic acid

    DEFF Research Database (Denmark)

    Neves-Petersen, Maria Teresa; Klitgaard, Søren; Skovsen, Esben

    2010-01-01

    Modification of hyaluronic acid (HA) with aryl succinic anhydrides results in new biomedical properties of HA as compared to non-modified HA, such as more efficient skin penetration, stronger binding to the skin, and the ability to blend with hydrophobic materials. In the present study, hyaluronic...... acid has been derivatised with the anhydride form of phenyl succinic acid (PheSA). The fluorescence of PheSA was efficiently quenched by the HA matrix. HA also acted as a singlet oxygen scavenger. Fluorescence lifetime(s) of PheSA in solution and when attached to the HA matrix has been monitored...

  17. Synthesis of 1-(4-methylsulfone-phenyl)-5-(4-fluoro-phenyl)-5-[14C]-1,2,3- triazole and 1-(4-sulfonamide-phenyl)-5-(4-fluoro-phenyl)-5-[14C]-1,2,3- triazole as novel carbon-14 anticonvulsant

    International Nuclear Information System (INIS)

    Saemian, N.; Shirvani, G.; Matloubi, H.

    2006-01-01

    Two 1,2,3-triazole anticonvulsants, 1-(4-methylsulfone-phenyl)-5-(4-fluoro-phenyl)-5-[ 14 C]-1,2,3-triazole and 1-(4-sulfonamide-phenyl)-5-(4- fluoro-phenyl)-5-[ 14 C]-1,2,3-triazole, both labeled with carbon-14 in the 5-position were prepared from para-fluoro-benzonitrile-[cyano- 14 C]. (author)

  18. Design, synthesis and biological evaluation of novel hydroxy-phenyl-1H-benzimidazoles as radical scavengers and UV-protective agents.

    Science.gov (United States)

    Bino, Alessia; Baldisserotto, Anna; Scalambra, Emanuela; Dissette, Valeria; Vedaldi, Daniela Ester; Salvador, Alessia; Durini, Elisa; Manfredini, Stefano; Vertuani, Silvia

    2017-12-01

    An ever-increasing incidence of skin neoplastic diseases is registered. Therefore, it is important to protect the skin from the UV radiation that reaches the epidermis and dermis but also to block ROS generated by them. Our attention was attracted in developing new compounds provided with both UV filtering and antioxidant capacities. To this end, 2-phenyl-1H-benzimidazole-5-sulfonic acid (PBSA), a known UV filter, was selected as lead compound for its lack of antioxidant activity, high water solubility and good safety profile. PBSA was sequentially modified introducing hydroxyls on the phenyl ring and also substituting the functional group in position 5 of the benzimidazole ring. At the end of the synthetic study, a new, very potent class of antioxidants has been obtained. Surprisingly some of the developed molecules, while devoid of significant UV-filtering activity was endowed with potent UV-filtering booster capability if associated with known commercial UVB and UVA filters.

  19. 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.

  20. Coalescence of 3-phenyl-propynenitrile on Cu(111) into interlocking pinwheel chains

    Science.gov (United States)

    Luo, Miaomiao; Lu, Wenhao; Kim, Daeho; Chu, Eric; Wyrick, Jon; Holzke, Connor; Salib, Daniel; Cohen, Kamelia D.; Cheng, Zhihai; Sun, Dezheng; Zhu, Yeming; Einstein, T. L.; Bartels, Ludwig

    2011-10-01

    3-phenyl-propynenitrile (PPN) adsorbs on Cu(111) in a hexagonal network of molecular trimers formed through intermolecular interaction of the cyano group of one molecule with the aromatic ring of its neighbor. Heptamers of trimers coalesce into interlocking pinwheel-shaped structures that, by percolating across islands of the original trimer coverage, create the appearance of gear chains. Density functional theory aids in identifying substrate stress associated with the chemisorption of PPN's acetylene group as the cause of this transition.

  1. (O-Methyl di-thio-carbonato-κS)tri-phenyl-tin(IV).

    Science.gov (United States)

    Javed, Fatima; Ali, Saqib; Shah, Wajid; Tahir, M Nawaz; Ullah, Hameed

    2013-06-01

    In the title compound, [Sn(C6H5)3(C2H3OS2)], the Sn(IV) atom adopts a distorted SnC3S tetra-hedral coordination geometry. A short Sn⋯O contact [2.988 (4) Å] is also present. The phenyl rings are each disordered over two sets of sites with an occupancy ratio of 0.550 (8):0.450 (8). The crystal studied was found to be a racemic twin with a twin component ratio of 0.57 (18):0.43 (18).

  2. Fragrance material review on 2-methyl-4-phenyl-2-butanol.

    Science.gov (United States)

    Scognamiglio, J; Jones, L; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of 2-methyl-4-phenyl-2-butanol when used as a fragrance ingredient is presented. 2-methyl-4-phenyl-2-butanol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a tertiary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-C-(R1)(R2)OH or Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 2-methyl-4-phenyl-2-butanol were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, and skin sensitization data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Aryl Alkyl Alcohols in fragrances. assessment of aryl alkyl alcohols when used as fragrance ingredients. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. 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.

  4. Synthesis, spectral characteristics, and the crystal and molecular structures of 2,3-dimethyl-1-phenyl-4-(N-phthalimido)pyrazolone-5

    International Nuclear Information System (INIS)

    Sokol, V. I.; Strashnova, S. B.; Kovalchukova, O. V.; Sergienko, V. S.; Davydov, V. V.; Zaitsev, B. E.; Evtushenko, Yu. M.

    2008-01-01

    2,3-Dimethyl-1-phenyl-4-(N-phthalimido)pyrazolone-5 (I) is synthesized and isolated in the form of single crystals. The crystal structure of compound I is determined using X-ray diffraction. The phthalimide and pyrazolone rings in the molecule are not coplanar: the angle between their median planes is 56.4 o . The bond lengths in the rings level off, which indicates the delocalization of the electron density. The spectral characteristics (IR and electronic spectra) of molecule I are determined.

  5. Crystal structure of a diaryl carbonate: 1,3-phenylene bis(phenyl carbonate

    Directory of Open Access Journals (Sweden)

    Marina A. Solomos

    2017-12-01

    Full Text Available The whole molecule of the title compound, C20H14O6, is generated by mirror symmetry, the mirror bisecting the central benzene ring. The carbonate groups adopt an s-cis-s-cis conformation, with torsion angles of 58.7 (2 and 116.32 (15°. The crystal structure of 1,3-phenylene bis(phenyl carbonate contains no strong hydrogen bonds, though weak C—H...O and offset π–π interactions are observed, forming layers parallel to the ac plane.

  6. Structure-activity relationship in 34 trifluoromethylphenyl amides against Aedes aegypti

    Science.gov (United States)

    As part of our mission to discover new mosquito insecticides, 34 trifluoromethylphenyl amides were designed and synthesized. These compounds have trifluoromethyl- groups located in the ortho-, meta- or para- positions on the phenyl ring and have various substituents attached to the carbonyl carbon, ...

  7. Charge transport through molecular rods with reduced pi-conjugation.

    Science.gov (United States)

    Lörtscher, Emanuel; Elbing, Mark; Tschudy, Meinrad; von Hänisch, Carsten; Weber, Heiko B; Mayor, Marcel; Riel, Heike

    2008-10-24

    A series of oligophenylene rods of increasing lengths is synthesized to investigate the charge-transport mechanisms. Methyl groups are attached to the phenyl rings to weaken the electronic overlap of the pi-subsystems along the molecular backbones. Out-of-plane rotation of the phenyl rings is confirmed in the solid state by means of X-ray analysis and in solution by using UV/Vis spectroscopy. The influence of the reduced pi-conjugation on the resonant charge transport is studied at the single-molecule level by using the mechanically controllable break-junction technique. Experiments are performed under ultra-high-vacuum conditions at low temperature (50 K). A linear increase of the conductance gap with increasing number of phenyl rings (from 260 meV for one ring to 580 meV for four rings) is revealed. In addition, the absolute conductance of the first resonant peaks does not depend on the length of the molecular wire. Resonant transport through the first molecular orbital is found to be dominated by charge-carrier injection into the molecule, rather than by the intrinsic resistance of the molecular wire length.

  8. Extending the synthetic utilities of the tandem cyclic sulfate rearrangement-opening process: Synthesis of β-hydroxy-y-phenyl-γ-phenyl-γ-lactam

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Nagum; Yu, Min Lee; Jun, Hye Yeon; Ko, Soo Y. [Dept. of Chemistry, Ewha Womans University, Seoul (Korea, Republic of)

    2016-12-15

    Cinnamyl alcohol is an obvious choice of starting material that provides the carbon framework for the syntheses of these compounds. Stereoselective oxidations (epoxidation or dihydroxylation) pave the way for the introductions of O-/N-substituents. Issues of regioselections need to be dealt with in these transformation, which may be tackled either in the activation steps, in the substitution steps, or in the protection steps. In conclusion, we have incorporated a nitrile function at C-3 of the phenylpropyl skeleton in our tandem cyclic sulfate rearrangement-epoxide opening and epoxide ring closure-epoxide opening processes. The one-carbon extension broadens the synthetic utilities of our tandem processes, as exemplified in our synthesis of β-hydroxy-γ-phenyl-γ-lactam.

  9. SYNTHESIS OF ALLYL PHENYL ETHER AND CLAISEN REARRANGEMENT

    Directory of Open Access Journals (Sweden)

    Gagik Torosyan

    2011-12-01

    Full Text Available It has been established the possibility for phenol allylation on natural zeolites and them analogs. Here is demonstrated the synthesis of allyl phenol, which has wide industrial applications. The offered method in comparison with the traditional methods has more advantages – higher selectivity, smaller material and power resources consumption. It has been obtained the mixture of allylating phenols (30% in general with allyl phenyl ether (1 with 80% yields. At 600 K is obtained allylphenyl ether, at 700 K beginning the formation of allyl phenols, which is the result of direct C-allylation of the aromatic ring. It has been investigated the possibility of Claisen rearrangement in the same conditions. All of that are established by gas-liquid chromatography and liquid chromatography data.

  10. The rings of Uranus

    Science.gov (United States)

    Elliot, J. L.; Dunham, E.; Mink, D.

    1977-01-01

    A description is given of the observation of five brief occultations of the star SAO 158687 which occurred both before and after its occultation by Uranus on March 10, 1977. The events were observed with a three-channel occultation photometer, attached to a 91-cm telescope. The observations indicate that at least five rings encircle the planet Uranus. Possible reasons for the narrowness of the Uranus rings are discussed.

  11. Ethyl 3-hydroxy-13-methyl-4′-phenyl-2′-(3,4,5-trimethoxyphenyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-16,3′-pyrrolidine]-5′-carboxylate

    Directory of Open Access Journals (Sweden)

    R. Murugan

    2008-11-01

    Full Text Available In the title compound, C39H45NO7,the pyrrolidine ring is connected to an estrone group, a trimethoxy benzene and a phenyl ring. The pyrrolidine ring exhibits a twist conformation and the other five-membered ring an envelope conformation. Molecules are linked by N—H...O hydrogen bonds, C—H...π interactions and C—H...O hydrogen bonds.

  12. Radical cation spectroscopy of substituted alkyl phenyl ketones via tunnel ionization

    Energy Technology Data Exchange (ETDEWEB)

    Bohinski, Timothy; Moore Tibbetts, Katharine [Center for Advanced Photonics Research, Temple University, Philadelphia, PA 19122 (United States); Department of Chemistry, Temple University, Philadelphia, PA 19122 (United States); Munkerup, Kristin [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark); Tarazkar, Maryam [Center for Advanced Photonics Research, Temple University, Philadelphia, PA 19122 (United States); Department of Chemistry, Temple University, Philadelphia, PA 19122 (United States); Romanov, Dmitri A. [Center for Advanced Photonics Research, Temple University, Philadelphia, PA 19122 (United States); Department of Physics, Temple University, Philadelphia, PA 19122 (United States); Matsika, Spiridoula [Department of Chemistry, Temple University, Philadelphia, PA 19122 (United States); Levis, Robert J., E-mail: rjlevis@temple.edu [Center for Advanced Photonics Research, Temple University, Philadelphia, PA 19122 (United States); Department of Chemistry, Temple University, Philadelphia, PA 19122 (United States)

    2014-10-17

    Highlights: • Infrared strong field spectroscopy on (o, m, p)-methylacetophenone was performed. • Electronic resonance in the radical cations at 1370 nm produces benzoyl fragment. • Magnitude of resonance feature increases from ortho to meta to para isomer. • Hydrogen interactions and moment of inertia account for the trend across isomers. - Abstract: Mass spectra are measured for 2′-, 3′- and 4′-(ortho, meta and para) methyl substituted alkyl phenyl ketones excited at wavelengths ranging from 1200 to 1500 nm in the strong field regime. The selective loss of a methyl group from the acetyl group of the parent molecular ion upon excitation at ∼1370 nm is attributed to an electronic resonance between ground D{sub 0} and excited D{sub 2} state of the radical cation. Depletion of the parent molecular ion is enhanced as the methyl substituent is moved from the 2′ to 3′ to 4′ position on the phenyl ring with respect to the acetyl group. The phenyl-acetyl dihedral angle is the relevant coordinate enabling excitation to the dissociative D{sub 2} state. Calculations on the radical cation of 2′-methylacetophenone show two stable geometries with dihedral angles of 7 degrees and 63 degrees between the phenyl and acetyl groups. The barrier to rotation for the 2′ isomer limits population transfer to the D{sub 2} state. In contrast, calculations on the radical cations of 3′- and 4′-methylacetophenone reveal no rotational barrier to prevent population transfer to the excited state, which is consistent with the enhanced dissociation yield in comparison with the 2′ substitution. The enhanced dissociation of the 4′ isomer as compared to the 3′ isomer is attributed to its lower moment of inertia about the dihedral angle.

  13. Blending of styrene-block-butadiene-block-styrene copolymer with sulfonated vinyl aromatic polymers

    NARCIS (Netherlands)

    Ruggeri, Giacomo; Passaglia, Elisa; Giorgi, Ivan; Picchioni, Francesco; Aglietto, Mauro

    2001-01-01

    Different polymers containing sulfonic groups attached to the phenyl rings were prepared by sulfonation of polystyrene (PS) and styrene-block-(ethylene-co-1-butene)-block-styrene (SEBS). The sulfonation degree (SD) was varied between 1 and 20 mol% of the styrene units. Polyphase materials containing

  14. Ab initio MO study on the thermal stability of 1-phenyl-1H-tetrazoles; Hikeikenteki bunshi kidoho ni yoru 1-Ph-1H tetorazoru yudotai no netsu anteisei hyoka ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Ono, Yoshio.; Akutsu, Yoshiaki.; Arai, Mitsuru.; Tamura, Masamitsu. [The University of Tokyo, Tokyo (Japan). School of Engineering; Matsunaga, Takehiro. [National Institute of Materials and Chemical Research, Tsukuba (Japan)

    1999-06-30

    Ab initio MO calculations of 1-phenyl-1H-tetrazoles were carried out, in order to explain a substituent effects on its high thermal stability and to estimate the thermal stability of the other tetrazoles. Similar to 1H-tetrazole, five bonds in the tetrazole ring have intermediate lengths between single and double bond lengths. Phenyl and tetrazole rings are not both on one plane showing no interaction. Three indexes addopted as a measure of thermal stability indicate that the more equal the bond lengths of the ring are and that the bigger the stabilization energy by ring formation is, the more thermally stable they are. It is found out that there is the relationship between the thermal stability and the ring charge. That is, the more negative the ring charge is, the more thrmally stable the tetrazole is. Also, there is a good relationship between the thermal stability and the energy level of orbital of which orbital is an anti bonding type with respect to the N3-N4 bond. The higher the energy level is, the more thermally stable the tetrazole is. (author)

  15. The crystal structure of 2-[5-(dimethylaminonaphthalene-1-sulfonamido]phenyl 5-(dimethylaminonaphthalene-1-sulfonate

    Directory of Open Access Journals (Sweden)

    Kittipong Chainok

    2015-10-01

    Full Text Available The complete molecule of the title compound, C30H29N3O5S2, is generated by a crystallographic twofold axis: the O atom and NH group attached to the central benzene ring are statistically disordered. The dihedral angle between the naphthalene ring system and the central benzene ring is 52.99 (6°, while the pendant naphthalene ring systems subtend a dihedral angle of 68.17 (4°. An intramolecular C—H...O hydrogen bond closes an S(6 ring. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds.

  16. 2,3-Dibromo-3-(2-bromophenyl-1-(3-phenylsydnon-4-ylpropan-1-one

    Directory of Open Access Journals (Sweden)

    Balakrishna Kalluraya

    2010-12-01

    Full Text Available In the title compound [systematic name: 2,3-dibromo-3-(2-bromophenyl-1-(5-oxido-3-phenyl-1,2,3-oxadiazol-3-ium-4-ylpropan-1-one], C17H11Br3N2O3, the oxadiazole ring is essentially planar, with a maximum deviation of 0.003 (1 Å. The –CHBr–CHBr– chain and bromophenyl ring are disordered over two sets of sites with a refined occupany ratio of 0.756 (5:0.244 (5. The central oxadiazole ring makes dihedral angles of 54.07 (11 and 13.76 (18° with the attached phenyl and the major component of the bromo-substituted benzene rings, respectively. The dihedral angle between the major and minor components of the bromophenyl rings is 13.4 (5°. In the crystal structure, molecules are connected by C—H...O hydrogen bonds, forming [010] ribbons.

  17. Ethyl 2-[1-(3-methylbutyl-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxoacetate

    Directory of Open Access Journals (Sweden)

    Muhammad Hafeez

    2013-12-01

    Full Text Available In the title compound, C17H21N3O3, the non-planar (r.m.s. deviation = 0.212 Å ethyl (oxoacetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69 (6°. In the crystal, molecules are arranged into centrosymmetric R22(10 dimers via pairs of C—H...O interactions involving the ethyl (oxoacetate groups. In addition, the triazole rings show π–π stacking interactions, with their centroids at a distance of 3.745 (2 Å.

  18. Crystal structure of (3S*,4R*-4-fluoro-3-(4-methoxyphenyl-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

    Directory of Open Access Journals (Sweden)

    Anna Lehmann

    2017-06-01

    Full Text Available The title compound, C23H18FNO4, crystallized as a racemate. It exhibits a cis conformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The methoxyphenyl ring and the phenyl ring are inclined to the mean plane of the isoquinoline ring system by 89.85 (4 and 46.62 (5°, respectively, and by 78.15 (5° to one another. In the crystal, molecules are linked by an O—H...O hydrogen bond forming chains propagating along the a-axis direction. The chains are linked by C—H...F hydrogen bonds, forming layers lying parallel to the ab plane.

  19. 6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate

    Directory of Open Access Journals (Sweden)

    James L. Wardell

    2012-03-01

    Full Text Available In the title α-D-glucopyranoside derivative, C28H30O10S2, each heterocyclic ring adopts a chair conformation. In the trisubstituted ring, the methoxy and one sulfonate group occupy axial positions, whereas the second sulfonate group occupies an axial position. The phenyl group on the other ring is in an equatorial position. In the crystal, supramolecular chains propagating along [100] are formed through C—H...O and C—H...π interactions.

  20. Preparation of Novel Fused Ring Spiro[benzotetraphene-fluorene] Derivatives and Application for Deep-Blue Host Materials

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Minji; Lee, Chilwon; Gong, Myoungseon [Dankook Univ., Yongin (Korea, Republic of)

    2014-06-15

    A series of novel fused-ring spiro compounds, spiro[benzo[ij]tetraphene-7,9'-fluorene] derivatives containing an end-capping aryl substituent at both the C3 and C10-positions has been designed and synthesized via multi-step Suzuki coupling reactions. 3-(1-Naphthyl)-10-phenyl, 3-(2-naphthyl)-10-phenyl and 3-[4-(1-naphthyl)phenyl]-10-phenyl showed improved glass transition temperatures (T{sub g}) with good thermal stability. Their photophysical, electrochemical, and electroluminescent properties were investigated and were used to construct blue organic light emission diodes (OLEDs). The typical OLED devices showed excellent performance; the based device exhibited highly efficient deep blue-light emission with a maximum efficiency of 5.27 cd/A (EQE, 4.63%) with CIE (x = 0.133, y = 0.144). According to these characteristics, these deep-blue light emitting materials have sufficient potential for fluorescent OLED applications.

  1. A new series of two-ring-based side chain liquid crystalline polymers: synthesis and mesophase characterization

    CSIR Research Space (South Africa)

    Reddy, GSM

    2013-05-01

    Full Text Available A new series of side chain liquid crystalline polymers containing a core, a butamethylenoxy spacer, ester groups, and terminal alkoxy groups were synthesised and their structures were confirmed. The core was constructed with two phenyl rings...

  2. 2-(2,4-Dichlorophenyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylacetamide

    Directory of Open Access Journals (Sweden)

    B. Narayana

    2013-01-01

    Full Text Available In the crystal structure of the title compound, C19H17Cl2N3O2, the molecules form dimers of the R22(10 type through N—H...O hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70 (13 and 64.82 (12°, respectively. The dihedral angle between the dichlorophenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45 (5° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33 (6°.

  3. Synthesis of benzamides by microwave assisted ring opening of less reactive dimethylaminobenzylidene oxazolone

    Directory of Open Access Journals (Sweden)

    Saurabh C. Khadse

    2017-02-01

    Full Text Available This paper presents the synthesis of some benzamide compounds (B1–B10 by microwave-assisted ring opening of 4-(4-dimethylaminobenzylidene-2-phenyl-5-oxazolone (AZ4. By conventional synthesis involving heating, it was found difficult to obtain ring-opened products, probably due to poor tendency of the carbonyl carbon (C5 of AZ4 to undergo nucleophilic attack by mono/or disubstituted anilines. Microwave assisted reactions were easy to perform, have reduced the reaction time and produced good yields.

  4. Lateral ring metal elastic wheel absorbs shock loading

    Science.gov (United States)

    Galan, L.

    1966-01-01

    Lateral ring metal elastic wheel absorbs practically all shock loading when operated over extremely rough terrain and delivers only a negligible shock residue to associated suspension components. The wheel consists of a rigid aluminum assembly to which lateral titanium ring flexible elements with treads are attached.

  5. Synthesis and Characterization of Ferroelectric Liquid Crystalline Organosiloxanes Containing 4-(4-undecanyloxy bi-phenyl-1-carboxyloxyphenyl (2S,3S-2-chloro-3-methylvalerate and 4-(4-undecanyloxybenzoyloxybiphenyl (2S,3S-2-chloro-3-methylvalerate

    Directory of Open Access Journals (Sweden)

    Chih-Hung Lin

    2013-10-01

    Full Text Available A series of new organosiloxane ferroelectric liquid crystalline (FLC materials have been synthesized, and their mesomorphic and physical properties have been characterized. Four new disiloxanes and trisiloxanes, containing biphenyl 4-hydroxybenzoate and phenyl 4-hydroxybiphenylcarboxylate as mesogenic units and eleven methylene unit as spacers and (2S,3S-2-chloro-3-methylvalerate unit as chiral end groups. The molecule, using three phenyl ring as a mesogenic unit, formulates much wider liquid crystalline phase temperature ranges than that of a two phenyl ring unit. The phenyl arrangement differences of mesogenic unit result in the greater differences of the liquid crystal phase formation. The siloxane molecule induction is helpful to the more regular smectic phase formation and smectic phase stabilization, such as chiral SC (SC* and SB phases. The siloxane molecule is helpful to reduce the phase transition temperature and broaden the liquid crystal temperature range of the SC* phase and, simultaneously, it will not induce chain crystallization phenomenon and dilute the Ps value. The synthesis and characterization of the new FLCs materials, which exhibit a room temperature SC* phase and higher spontaneous polarization are presented.

  6. Effect of symmetric substitution on the phenyl groups of Eu{sup 3+}-dibenzoyl methane complexes on their luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Shukla, P. [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Sudarsan, V.; Vatsa, R.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Nayak, S.K. [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Chattopadhyay, S., E-mail: schatt@barc.gov.i [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2010-10-15

    Complexes of Eu{sup 3+} ion and ligands like dibenzoylmethane (DBM) as well as flouro- and methoxy-substituted DBMs have been prepared and characterized. Peak maxima and line shapes of the {pi}-{pi}{sup *} transitions arising from the ligands in these complexes were very sensitive to the nature of the substituents attached to the phenyl groups of DBM. Symmetric substitution at both the phenyl groups led to improved luminescence in terms of higher quantum yields of emission and longer lifetime of the excited state ({sup 5}D{sub 0}) of Eu{sup 3+} ions. Effective averaging/cancellation of the dipole-dipole interactions in symmetrically substituted ligands and the associated decrease in the extent of quenching were responsible for the improved luminescence from such complexes.

  7. Nano-rings with a handle – Synthesis of substituted cycloparaphenylenes

    Directory of Open Access Journals (Sweden)

    Anne-Florence Tran-Van

    2014-08-01

    Full Text Available The research of cycloparaphenylenes (CPPs, the smallest armchair carbon nanotube, has been a quest for the past decades which experienced a revival in 2008 when the first synthesis was achieved. Since then CPPs with various ring sizes have been realized. The incorporation of substituents and the synthesis of CPPs with building blocks different from phenyl rings bear challenges of their own. Such structures, however, are highly interesting, as they allow for an incorporation of CPPs as defined nano-objects for other applications. Therefore, this review provides a status report about the current efforts in synthesizing CPPs beyond the parent unsubstituted oligo-phenylene structure.

  8. 2′-Methyl-2′-nitro-1′-phenyl-2′,3′,5′,6′,7′,7a'-hexahydrospiro[indoline-3,3′-1′H-pyrrolizin]-2-one

    Directory of Open Access Journals (Sweden)

    Yaghoub Sarrafi

    2008-08-01

    Full Text Available The title compound, C21H21N3O3, was synthesized by a multi-component 1,3-dipolar cycloaddition of azomethine ylide, derived from isatin and proline by a decarboxylative route, and (E-1-phenyl-2-nitropropene. In the molecule, the spiro junction links a planar oxindole ring and a pyrrolidine ring in an envelope conformation. The molecular packing is stabilized by an intermolecular N—H...N interaction of the oxindole and pyrrolizidine rings.

  9. 6-Chloro-3-[5-(3-methoxy-8-methyl-4-quinolyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenylquinoline

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2009-11-01

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

  10. Dependency of the regio- and stereoselectivity of intramolecular, ring-closing glycosylations upon the ring size

    Directory of Open Access Journals (Sweden)

    Patrick Claude

    2011-12-01

    Full Text Available Phenyl 3,4,6-tri-O-benzyl-2-O-(3-carboxypropionyl-1-thio-β-D-galactopyranoside (1 was condensed via its pentafluorophenyl ester 2 with 5-aminopentyl (4a, 4-aminobutyl (4b, 3-aminopropyl (4c and 2-aminoethyl 4,6-O-benzylidene-β-D-glucopyranoside (4d, prepared from the corresponding N-Cbz protected glucosides 3a–d, to give the corresponding 2-[3-(alkylcarbamoylpropionyl] tethered saccharides 5a–d. Intramolecular, ring closing glycosylation of the saccharides with NIS and TMSOTf afforded the tethered β(1→3 linked disaccharides 6a–c, the α(1→3 linked disaccharides 7a–d and the α(1→2 linked disaccharide 8d in ratios depending upon the ring size formed during glycosylation. No β(1→2 linked disaccharides were formed. Molecular modeling of saccharides 6–8 revealed that a strong aromatic stacking interaction between the aromatic parts of the benzyl and benzylidene protecting groups in the galactosyl and glucosyl moieties was mainly responsible for the observed regioselectivity and anomeric selectivity of the ring-closing glycosylation step.

  11. 3-Substituted 2-phenyl-indoles

    DEFF Research Database (Denmark)

    Johansson, Karl Henrik; Jørgensen, T.B.; Gloriam, D.E.

    2013-01-01

    -indoles with a variety of substituents at the indole 3-position. Herein we describe the development of optimised and efficient synthetic routes to a series of new 2-phenyl-indole building blocks 3 to 9 and show that these can be used to generate a broad variety of 3-substituted 2-phenyl-indoles of interest to medicinal...

  12. Control of charge transfer by conformational and electronic effects: Donor-donor and donor-acceptor phenyl pyrroles

    International Nuclear Information System (INIS)

    Neubauer, Antje; Bendig, Juergen; Rettig, Wolfgang

    2009-01-01

    Derivatives of N-pyrrolobenzene with a para-donor and a para-acceptor substituent on the benzene ring are compared. It is shown that by a suitable increase of the donor strength of the pyrrolo group, CT fluorescence can be achieved even for donor-donor-substituted benzenes. The ICT emission for sterically hindered compounds is more forbidden than that of unhindered phenyl pyrroles. This suggests conformational effects which induce a narrower twist angle distribution around a perpendicular minimum in the excited state.

  13. [3-(5-Nitro-2-furyl-1-phenyl-1H-pyrazol-4-yl](phenylmethanone

    Directory of Open Access Journals (Sweden)

    Jia Hao Goh

    2010-05-01

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

  14. 6-Butyl-5-(4-methoxyphenoxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H-one

    Directory of Open Access Journals (Sweden)

    Hong-Mei Wang

    2009-12-01

    Full Text Available The asymmetric unit of the title compound, C21H21N5O3, consists of two geometrically similar molecules. The fused rings of the triazolo[4,5-d]pyrimidine system are nearly coplanar, making dihedral angels of 1.48 (18 and 1.34 (16°, and the phenyl rings are twisted by 12.3 (1 and 8.7 (1° with respect to the triazolopyrimidine plane. The ethyl groups of the n-butyl side chains are disordered over two sites in each of the independent molecules, the ratios of occupancies being 0.60:0.40 and 0.61:0.39.

  15. An unexpected trimethylstannylpyrrole from a stannylated derivative of tosylmethyl isocyanide (TosMIC) and chalcone

    NARCIS (Netherlands)

    Meetsma, A.; Dijkstra, H.P.; ten Have, Ronald; vanLeusen, A.M.

    1996-01-01

    The structure of the title compound, tert-butyl 3-benzoyl-4-phenyl-2- (trimethylstannyl)pyrrole-N-carboxylate, [Sn(CH3)(3)(C22H20NO3)], is one of the first in which the stannyl group is attached to a C atom of the pyrrole ring, There appears to be an intramolecular interaction between the Sn atom

  16. Crystal structure of racemic 2-[(β-arabinopyranosylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile

    Directory of Open Access Journals (Sweden)

    Sherif F. Hammad

    2018-06-01

    Full Text Available In the racemic title compound, C23H20N2O4S, the sulfur atom is attached equatorially to the sugar ring with unequal S—C bonds, viz.: S—Cs = 1.808 (2 and S—Cp = 1.770 (2 Å (s = sugar, p = pyridyl. The dihedral angles between the pyridine ring and its attached phenyl groups are 42.24 (8 and 6.37 (14°. In the crystal, a system of classical O—H...O and O—H...(O,O hydrogen bonds links the molecules to form tube-like assemblies propagating parallel to the c-axis direction. Weak C—H...N interactions are also observed.

  17. 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.

  18. Optical bio-chemical sensors on SNOW ring resonators

    Science.gov (United States)

    Khorasaninejad, Mohammadreza; Clarke, Nigel; Anantram, M. P.; Singh Saini, Simarjeet

    2011-08-01

    In this paper, we propose and analyze novel ring resonator based bio-chemical sensors on silicon nanowire optical waveguide (SNOW) and show that the sensitivity of the sensors can be increased by an order of magnitude as compared to silicon-on-insulator based ring resonators while maintaining high index contrast and compact devices. The core of the waveguide is hollow and allows for introduction of biomaterial in the center of the mode, thereby increasing the sensitivity of detection. A sensitivity of 243 nm/refractive index unit (RIU) is achieved for a change in bulk refractive index. For surface attachment, the sensor is able to detect monolayer attachments as small as 1 Å on the surface of the silicon nanowires.

  19. (O-Methyl di­thio­carbonato-κS)tri­phenyl­tin(IV)

    Science.gov (United States)

    Javed, Fatima; Ali, Saqib; Shah, Wajid; Tahir, M. Nawaz; Ullah, Hameed

    2013-01-01

    In the title compound, [Sn(C6H5)3(C2H3OS2)], the SnIV atom adopts a distorted SnC3S tetra­hedral coordination geometry. A short Sn⋯O contact [2.988 (4) Å] is also present. The phenyl rings are each disordered over two sets of sites with an occupancy ratio of 0.550 (8):0.450 (8). The crystal studied was found to be a racemic twin with a twin component ratio of 0.57 (18):0.43 (18). PMID:23794982

  20. Five-membered rings as diazo components in optical data storage devices: An ab initio investigation of the lowest singlet excitation energies

    DEFF Research Database (Denmark)

    Åstrand, P.-O.; Sommer-Larsen, P.; Hvilsted, Søren

    2000-01-01

    been investigated as diazo components for a potential use in optical das storage materials. It is found that the diazo compounds with two heterocyclic five-membered rings have pi --> pi* excitation energies corresponding to laser wavelengths in the region 450-500 nm whereas one five-membered ring...... and a phenyl group as diazo components results in wavelengths in the region 400-335 nm. (C) 2000 Published by Elsevier Science B.V....

  1. Electrochemical characterization of azo dye (E)-1-(4-((4-(phenylamino)phenyl)diazenyl)phenyl)ethanone (DPA)

    International Nuclear Information System (INIS)

    Surucu, Ozge; Abaci, Serdar; Seferoğlu, Zeynel

    2016-01-01

    Highlights: • Electrochemical characterization of azo dye DPA was performed. • Pencil graphite electrode was used as working electrode. • Cyclic voltammetry was used to determine the effect of scan rate and pH. • Chronoamperometry was used to determine diffusion constant. • Square wave voltammetry verified the results of cyclic voltammetry. - Abstract: An enormous range of possible dyes are available, especially as the starting molecules are readily available and cheap. As other dye classes become less viable from either an environmental or economic reasons, azo dyes come to the forefront. Therefore, electrochemical characterization of a novel synthesized azo dye (E)-1-(4-((4-(phenylamino) phenyl)diazenyl)phenyl)ethanone was achieved for the first time. Cyclic voltammetry, chronoamperometry and square wave voltammetry techniques were used to investigate the electrochemical behavior and electrocatalytic effect of azo dye (E)-1-(4-((4-(phenylamino) phenyl)diazenyl)phenyl)ethanone at pencil graphite electrode. Cyclic voltammograms were utilized to determine the effect of scan rate and pH on the peak current and peak potential. Chronoamperometry technique was used to determine diffusion constant, D and the type of adsorption isotherms. The kinetics parameters which were the apparent electron transfer rate constant, k s and charge transfer coefficient, α were calculated. Square wave voltammetry was used to verify responses of cyclic voltammetry technique.

  2. Factors influencing catalytic behavior of titanium complexes bearing bisphenolate ligands toward ring-opening polymerization of L-lactide and ε-caprolactone

    Directory of Open Access Journals (Sweden)

    M-T. Jiang

    2018-02-01

    Full Text Available A series of titanium complexes bearing substituted diphenolate ligands (RCH(phenolate2, where R = H, CH3, o-OTs-phenyl, o-F-phenyl, o-OMe-phenyl, 2,4-OMe-phenyl was synthesized and studied as catalysts for the ring opening polymerization of L-lactide and ε-caprolactone. Ligands were designed to probe the role of chelate effect and steric effect in the catalytic performance. From the structure of triphenolate (with one extra coordination site than diphenolate ligand Ti complex, TriOTiOiPr2, we found no additional chelation to influence the catalytic activity of Ti complexes. It was found that bulky aryl groups in the diphenolate ligands decreased the rate of polymerization most. We conclude that steric effect is the most controlling factor in these polymerization reactions by using Ti complexes bearing diphenolate ligands as catalysts since it is responsible for the exclusion of needed space for incoming monomer by the bulky substituents on the catalyst.

  3. Palladium-Catalyzed ortho-Olefination of Phenyl Acetic and Phenyl Propylacetic Esters via C-H Bond Activation.

    Science.gov (United States)

    Hu, Jundie; Guan, Mingyu; Han, Jian; Huang, Zhi-Bin; Shi, Da-Qing; Zhao, Yingsheng

    2015-08-21

    A highly regioselective palladium-catalyzed ester-directed ortho-olefination of phenyl acetic and propionic esters with olefins via C-H bond activation has been developed. A wide variety of phenyl acetic and propionic esters were tolerated in this transformation, affording the corresponding olefinated aromatic compounds. The ortho-olefination of heterocyclic acetic and propionic esters also took place smoothly giving the products in good yields, thus proving the potential utility of this protocol in synthetic chemistry.

  4. Fano resonance and persistent current of a quantum ring

    International Nuclear Information System (INIS)

    Xiong Yongjian; Liang Xianting

    2004-01-01

    We investigate electron transport and persistent current of a quantum ring weakly attached to current leads. Assuming there is direct coupling (weakly or strongly) between two leads, electrons can transmit by the inter-lead coupling or tunneling through the quantum ring. The interference between the two paths yields asymmetric Fano line shape for conductance. In presence of interior magnetic flux, there is persistent current along the ring with narrow resonance peaks. The positions of the conductance resonances and the persistent current peaks correspond to the quasibound levels of the closed ring. This feature is helpful to determine the energy spectrum of the quantum ring. Our results show that the proposed setup provides a tunable Fano system

  5. {4-Phenyl-1-[1-(1,3-thiazol-2-ylethylidene]thiosemicarbazidato}{4-phenyl-1-[1-(1,3-thiazol-2-ylethylidene]thiosemicarbazide}nickel(II chloride monohydrate

    Directory of Open Access Journals (Sweden)

    Ramaiyer Venkatraman

    2010-05-01

    Full Text Available In the title compound, [Ni(C12H11N4S2(C12H12N4S2]Cl·H2O, the NiII ion is chelated by two 2-acetylthiazole-3-phenylthiosemicarbazone ligands, forming a distorted octahedral complex. The metal ion is coordinated via the thiazole nitrogen, imine nitrogen and thione sulfur atoms from each thiosemicarbazone ligand, and two coordinating units lie almost perpendicular to each other give dihedral angle = 81.89 (1°]. One thiosemicarbazone unit is found to bind a chloride anion through two hydrogen bonds, while the other is linked with the disordered crystal water molecule. Two molecules are connected to each other through an intermolecular N—H...S interaction, forming a centrosymmetric dimer. Dimers are linked into sheets by π–π stacking of two phenyl rings [shortest C...C distance = 4.041 (3 Å].

  6. Ring transformation of chromone-3-carboxamide under nucleophilic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Ibrahim, Magdy A., E-mail: magdy_ahmed1977@yahoo.com [Department of Chemistry, Faculty of Education, Ain Shams University, Cairo(Egypt)

    2013-11-15

    The chemical reactivity of chromone-3-carboxamide was studied towards a series of nitrogen and carbon nucleophiles. Treatment of carboxamide with some primary amines gave chromane-2,4-diones. Condensation of carboxamide with hydrazine hydrate, phenyl hydrazine and hydroxylamine hydrochloride afforded chromenopyrazoles and chromenoisoxazole, respectively. Reaction of carboxamide with guanidine hydrochloride, cyanoguanidine and thiourea resulted in ring transformation producing chromenopyridines. The chemical behavior of carboxamide was also studied towards ethylenediamine, o-phenylenediamine, 2-aminophenol and 2-aminothiophenol. A variety of products were isolated from the reaction of carboxamide with some carbon nucleophiles. (author)

  7. Deformation of the dog aortic valve ring during the cardiac cycle

    NARCIS (Netherlands)

    van Renterghem, R.J.; Steenhoven, van A.A.; Arts, M.G.J.; Reneman, R.S.

    1988-01-01

    Changes in strain in the line of aortic valve leaflet attachment (aortic ring) were measured during the cardiac cycle by means of an inductive technique. To that purpose coils were sutured to each commissure and base point of the aortic ring, when the animals were on a cardiopulmonary bypass. After

  8. A three-dimensional finite element analysis for overdenture attachments supported by teeth and/or mini dental implants.

    Science.gov (United States)

    Fatalla, Abdalbseet A; Song, Ke; Du, Tianfeng; Cao, Yingguang

    2012-12-01

    The aim of this study was to establish the optimum design and attachment combination to support an overdenture with minimal stress and flexing produced in the alveolar bone surrounding any natural teeth and/or mini dental implants. Twelve models were included in the study: the six main models (A, B, C, D, E, and F) were categorized according to the support designs of the overdenture prosthesis, and each model was further subdivided according to the attachment combinations into model 1: with Dalbo elliptic and/or O-ring attachments only and model 2: with flexible acrylic attachments. Vertical loads (35 N) and 17.5 N lateral loads under static conditions were applied to the models to simulate the occlusal forces following the concept of lingualized occlusion. All conditions were created using a finite element software program. Maximum von Mises stress at the level of the attachments and at the bone support foundation interfaces were compared in all 12 models. The flexing of the mandible and the attachments were also compared qualitatively. Stress on these models was analyzed after the given loading condition. The results showed that the model with three freestanding mini dental implants and flexible acrylic attachments showed the lowest von Mises stress and flexing, while the models with four freestanding mini dental implants and O-ring attachments showed the highest von Mises stress. Three freestanding mini dental implants with flexible acrylic attachment systems supporting an overdenture were better choices than four mini dental implants with O-ring attachment systems, which showed the maximum flexing and stress values in this qualitative comparison. © 2012 by the American College of Prosthodontists.

  9. Stability and isomerization reactions of phenyl cation C{sub 6}H{sub 5}{sup +} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Dandan [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yang, Xue [College of Science, Jilin Institute of Chemical Technology, Jilin 132022 (China); Zhang, Xiaomei; Shan, Shimin [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Xu, Haifeng, E-mail: xuhf@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yan, Bing, E-mail: yanbing@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China)

    2016-03-01

    Highlights: • A total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations were obtained at density functional theory. • The stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers were performed. • The structures, frequencies, thermodynamic properties of isomers were summarized. • Ring to ring or chain isomerization pathways were investigated using IRC method. • Result shows reactions contain hydrogen transfer, bond broken and reconstruction. - Abstract: As a key polyatomic molecular cation that plays a pivotal role in growth of the polycyclic aromatic hydrocarbons, phenyl cation C{sub 6}H{sub 5}{sup +} exhibits various isomers and isomerization reactions. Investigation on the structure and stability of the isomers as well as the isomerization is important for better understanding the chemical reactions involving C{sub 6}H{sub 5}{sup +} cations. In this work, we have performed a theoretical study on the stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers at density functional theory B3LYP/6-311G (d, p) level. We have obtained a total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations, most of which are reported for the first time. The geometries, vibrational frequencies, thermodynamic properties and stability of 28 out of 60 isomers have been summarized in detail. Different ring-to-ring and ring-to-chain isomerization pathways, which are connected via 28 transition states, have been investigated using the intrinsic reaction coordinate method. The results show that the isomerization reactions occur via hydrogen migration followed by bond-breaking and reconstruction.

  10. Synthesis and characterization of new alkylating agents 2-amino-4-phenyl thiazole

    Energy Technology Data Exchange (ETDEWEB)

    Sotelo, E.; Mocelo, R.; Suarez, M.; Gonzalez, L. [Laboratorio de Sintesis Organica, Facultad de Quimica, Universidad de la Habana, La Habana (Cuba)

    1996-10-01

    Starting with 2-amino-4-phenyl thiazole (1), the preparation of two new nitrosoureas 1-(4-phenyl-2-thiazole)-3-(2-chloroethyl)-3-nitrosourea (3), 1-(5-bromo-4-phenyl-thiazolyl)-3-(2-chloroethyl)-3-nitrosourea (8) and the N,N-bis (2-chloroethyl)-4-phenyl-2-amino thiazole (9) is reported. 9 refs.

  11. Finite element analysis to compare complete denture and implant-retained overdentures with different attachment systems.

    Science.gov (United States)

    Barão, Valentim Adelino Ricardo; Assunção, Wirley Gonçalves; Tabata, Lucas Fernando; Delben, Juliana Aparecida; Gomes, Erica Alves; de Sousa, Edson Antonio Capello; Rocha, Eduardo Passos

    2009-07-01

    This finite element analysis compared stress distribution on complete dentures and implant-retained overdentures with different attachment systems. Four models of edentulous mandible were constructed: group A (control), complete denture; group B, overdenture retained by 2 splinted implants with bar-clip system; group C, overdenture retained by 2 unsplinted implants with o'ring system; and group D, overdenture retained by 2 splinted implants with bar-clip and 2 distally placed o'ring system. Evaluation was performed on Ansys software, with 100-N vertical load applied on central incisive teeth. The lowest maximum general stress value (in megapascal) was observed in group A (64.305) followed by groups C (119.006), D (258.650), and B (349.873). The same trend occurred in supporting tissues with the highest stress value for cortical bone. Unsplinted implants associated with the o'ring attachment system showed the lowest maximum stress values among all overdenture groups. Furthermore, o'ring system also improved stress distribution when associated with bar-clip system.

  12. Crystal structure of ethyl (2Z-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-ylamino]prop-2-enoate

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2014-11-01

    Full Text Available The title compound, C16H16N4O2, crystallizes with two molecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2:0.201 (2 ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two molecules, as indicated by the syn N—N—Car—Car (ar = aromatic torsion angles of 39.7 (2 and −36.9 (2°. Each molecule features an intramolecular N—H...O hydrogen bond, which closes an S(6 ring. In the crystal, C—H...O and C—H...N interactions direct the packing into a layered structure parallel to (110.

  13. Methyl 6-methoxycarbonylmethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Lucia Veizerová

    2008-09-01

    Full Text Available The title compound, C15H16N2O5, belongs to the class of monastrol-type anti-cancer agents and was selected for crystal structure determination in order to determine the conformational details needed for subsequent structure–activity relationship studies. The central tetrahydropyrimidine ring has a flat-envelope conformation. The 4-phenyl group occupies a pseudo-axial position and is inclined at an angle of ca 90° to the mean plane of the heterocyclic ring. Of the two methyl ester groups, one (in the 5-position is in a coplanar and the other (in the 6-position in a perpendicular orientation with respect to the heterocyclic plane. The coplanar 5-ester group has its carbonyl bond oriented cis with respect to the pyrimidine C=C double bond. By comparison of the structural results for the present compound with those determined previously for its diethyl analogue, we have identified the molecular factors which control the dual course of the Biginelli reaction with salicylaldehyde. The crystal structure is dominated by two hydrogen bonds which link the molecules into chains of dimers.

  14. Synthesis of γ-hydroxypropyl P-chirogenic (±-phosphorus oxide derivatives by regioselective ring-opening of oxaphospholane 2-oxide precursors

    Directory of Open Access Journals (Sweden)

    Iris Binyamin

    2015-07-01

    Full Text Available The synthesis of P-chirogenic (±-phosphine oxides and phosphinates via selective nucleophilic ring opening of the corresponding oxaphospholanes is described. Two representative substrates: the phosphonate 2-ethoxy-1,2-oxaphospholane 2-oxide and the phosphinate 2-phenyl-1,2-oxaphospholane 2-oxide were reacted with various Grignard reagents to produce a single alkyl/aryl product. These products may possess further functionalities in addition to the phosphorus center such as the γ-hydroxypropyl group which results from the ring opening and π-donor moieties such as aryl, allyl, propargyl and allene which originates from the Grignard reagent.

  15. Supramolecular engineering through temperature-induced chemical modification of 2H-tetraphenylporphyrin on Ag(111): flat phenyl conformation and possible dehydrogenation reactions.

    Science.gov (United States)

    Di Santo, Giovanni; Blankenburg, Stephan; Castellarin-Cudia, Carla; Fanetti, Mattia; Borghetti, Patrizia; Sangaletti, Luigi; Floreano, Luca; Verdini, Alberto; Magnano, Elena; Bondino, Federica; Pignedoli, Carlo A; Nguyen, Manh-Thuong; Gaspari, Roberto; Passerone, Daniele; Goldoni, Andrea

    2011-12-16

    Scratching the surface: Formation of a monolayer of 2H-tetraphenylporphyrins (2H-TPP) on Ag(111), either by sublimation of a multilayer in the range 525-600 K or by annealing (at the same temperature) a monolayer deposited at room temperature, induces a chemical modification of the molecules. Rotation of the phenyl rings into a flat conformation is observed and tentatively explained, by using DFT calculations, as a peculiar reaction due to molecular dehydrogenation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Density functional theoretical study on the C-F and C-O oxidative addition reaction at an AI center

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yong Seong [Dept. of Science Education, Kyungnam University, Masan (Korea, Republic of); Cho, Hyun; Hwang, Sungu [Dept. of Nanomechatronics Engineering, Pusan National University, Miryang (Korea, Republic of)

    2017-02-15

    In this study, B3LYP/LACVP** level calculations were chosen because the level of theory was applied successfully to calculations of the thermodynamic and kinetic features of the oxidative addition reactions of alkyl and aryl halides to pincer-type complexes. This study examined the effects of the substituents on the phenyl rings of the Al(I) center. Isopropyl side chains in the phenyl rings attached to N atoms of the pincer ligand were replaced with a methyl (Me) (2) or tertiary butyl ( t Bu) group. The oxidative addition of C[BOND]F and C[BOND]O bonds to an Al (I) center was investigated computationally by DFT calculations. The geometries, thermodynamic, and kinetic features were in good agreement with the experimental data, as in previous studies on the transition metal complexes. The computational results showed that the DFT calculations could provide qualitative insight into the reactivity and thermodynamics of the oxidative addition reactions of C[BOND]F bonds.

  17. Syntheses, structures and properties of two new coordination polymers based on D-camphoric acid and 2-phenyl-4,6-diamino-1,3,5-triazine

    Energy Technology Data Exchange (ETDEWEB)

    Lun, Huijie; Yang, Jinghe; Jin, Linyu; Cui, Sasa; Bai, Yanlong [Henan Key Laboratory of Polyoxometalate, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhang, Xudong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Li, Yamin, E-mail: liyamin@henu.edu.cn [Henan Key Laboratory of Polyoxometalate, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

    2015-05-15

    By hydrothermal method, two new coordination polymers [Co(ca)(phdat)]{sub n} (1), [Ni(ca)(phdat).0.125H{sub 2}O]{sub n} (2) (H{sub 2}ca=D-camphoric acid, phdat=2-phenyl-4,6-diamino-1,3,5-triazine) have been achieved and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. The X-ray single-crystal diffraction reveals that compounds 1 and 2 are isostructural, both of which exhibit two-dimensional layered network built up from paddle-wheel Co{sub 2}(CO{sub 2}){sub 4}/Ni{sub 2}(CO{sub 2}){sub 4} SBUs by ca{sup 2−} ligand. In the existence of π…π stacking interactions between triazine rings and phenyl rings, the 3D networks are constructed with the hanging phdat filled between the neighboring layers. Furthermore, compounds 1–2 exhibit antiferromagnetic behavior and compound 2 displays a good activity for methanol oxidation. - Graphical abstract: Two new coordination compounds 1–2 have been synthesized and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses, thermogravimetric analyses, magnetic and electrochemical measurement. - Highlights: • This paper reports two new coordination polymers based on D-camphoric acid. • Both the compounds feather two-dimensional layered networks built up from paddle-wheel SBUs. • The magnetism and electrochemical property are investigated.

  18. Synthesis and Characterization of Ti-Phenyl at SiO2 Core-Shell Nanoparticles Catalyst

    International Nuclear Information System (INIS)

    Syamsi Aini; Jon Efendi; Syamsi Aini; Jon Efendi

    2012-01-01

    This study highlights the potential use of Ti-Phenyl at SiO 2 core-shell nanoparticles as heterogeneous catalysis in oxidation reaction. The Ti-Phenyl at SiO 2 was synthesized by reduction of TiCl 4 and diazonium salt with sodium borohydride to produce phenyl titanium nanoparticles (Ti-Phenyl), followed by the silica shell coating using tetraethyl orthosilicate (TEOS). The Ti-Phenyl at SiO 2 nanoparticles were characterized by Fourier transform infrared (FTIR) spectrometer, diffuse reflectance (DR) UV-visible spectrometer, thermogravimetric analyzer (TGA), X-ray diffraction (XRD) spectrometer, field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). The core-shell size of Ti-Phenyl at SiO 2 was in the range of 40 to 100 nm with its core composed with an agglomeration of Ti-Phenyl. The Ti-Phenyl at SiO 2 was active as a catalyst in the liquid phase epoxidation of 1-octene with aqueous hydrogen peroxide as an oxidant. (author)

  19. 9-(3-Bromo-5-chloro-2-hydroxyphenyl-10-(2-hydroxyethyl-3,6-diphenyl-3,4,9,10-tetrahydroacridine-1,8(2H,5H-dione

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2014-06-01

    Full Text Available In the title compound, C33H27BrClNO4, the dihydropyridine ring adopts a flattened boat conformation. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond, with an S(8 ring motif. In the crystal, O—H...O, C—H...O and C—H...Cl hydrogen bonds, and C—H...π interactions link the molecules, forming a three-dimensional network. In the acridinedione ring system, the two ring C atoms at the 2- and 3-positions, and the C atom at the 6-position and the atoms of the phenyl ring attached to the C atom at the 6-position are disordered over two sets of sites with occupancy ratios of 0.783 (5:0.217 (5 and 0.526 (18:0.474 (18, respectively.

  20. Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl-2-(4-methylphenyl-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl-4-(thiophen-2-yl-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl-1,2-dihydronaphthalene-3-carboxylate

    Directory of Open Access Journals (Sweden)

    S. Gopinath

    2017-02-01

    Full Text Available In the title 1-oxo-1,2-dihydronaphthalene derivatives, C28H24O6, (I, C34H22O5S, (II, and C27H20O3S2, (III, the cyclohexa-1,3-diene rings of the 1,2-dihydronaphthalene ring systems adopt half-chair, boat and half-chair conformations, respectively. The carbonyl O atoms attached to the dihydronaphthalene ring systems are each significantly deviated from the mean plane of the 1,2-dihydronaphthalene ring system, by 0.6162 (12 Å in (I, 0.6016 (16 Å in (II and 0.515 (3 Å in (III. The mean planes of the 1,2-dihydronaphthalene ring systems make dihedral angles of 85.83 (3, 88.19 (3 and 81.67 (8°, respectively, with the methylphenyl ring in (I, the pyrene ring in (II and the phenyl ring in (III. In (I, the molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, generating an S(6 ring motif. In the crystal of (I, molecules are linked by an intermolecular C—H...O hydrogen bond, which generates a C(8 zigzag chain running along [100]. Adjacent chains are further connected by C—H...π and offset π–π interactions [centroid–centroid distance = 3.6572 (9 Å], forming a double-chain structure. In the crystals of (II and (III, molecules are linked into chain structures by offset π–π interactions with centroid–centroid distances of 3.5349 (12 and 3.8845 (13 Å for (II and 3.588 (2 Å for (III. In (II and (III, the thiophene rings are orientationally disordered over two sites, with occupancy ratios of 0.69:0.31 for (II, and 0.528 (4:0.472 (4 and 0.632 (5:0.368 (5 for (III.

  1. Synthesis and Properties of Biodegradable Copolymers of 9-Phenyl-2,4,8,10-tetraoxaspiro-[5,5]undcane-3-one and Ethylene Ethyl Phosphate

    Institute of Scientific and Technical Information of China (English)

    Jian XU; Zhi Lan LIU; Ren Xi ZHUO

    2006-01-01

    Novel biodegradable copolymer poly(CC-co-EEP) was synthesized by ring-opening copolymerization of cyclic carbonate 9-phenyl-2, 4, 8, 10-tetraoxaspiro-[5, 5]undcane-3-one (CC)and ethylene ethyl phosphate (EEP). The obtained poly (CC-co-EEP)s were characterized by FTIR, 1H NMR, 13C NMR and gel permeation chromatography (GPC). In vitro hydrolytic degradation of the copolymers were investigated in phosphate buffer solution (pH=7.4).Hydrophilic phosphate units apparently improved the degradability of poly(carbonate-phosphate).

  2. Rh(V) -Nitrenoid as a Key Intermediate in Rh(III) -Catalyzed Heterocyclization by C-H Activation: A Computational Perspective on the Cycloaddition of Benzamide and Diazo Compounds.

    Science.gov (United States)

    Zhou, Tao; Guo, Wei; Xia, Yuanzhi

    2015-06-15

    A mechanistic study of the substituent-dependent ring formations in Rh(III) -catalyzed C-H activation/cycloaddition of benzamide and diazo compounds was carried out by using DFT calculations. The results indicated that the decomposition of the diazo is facilitated upon the formation of the five-membered rhodacycle, in which the Rh(III) center is more electrophilic. The insertion of carbenoid into Rh-C(phenyl) bond occurs readily and forms a 6-membered rhodacycle, however, the following C-N bond formation is difficult both kinetically and thermodynamically by reductive elimination from the Rh(III) species. Instead, the Rh(V) -nitrenoid intermediate could be formed by migration of the pivalate from N to Rh, which undergoes the heterocyclization much more easily and complementary ring-formations could be modulated by the nature of the substituent at the α-carbon. When a vinyl is attached, the stepwise 1,3-allylic migration occurs prior to the pivalate migration and the 8-membered ring product will be formed. On the other hand, the pivalate migration becomes more favorable for the phenyl-contained intermediate because of the difficult 1,3-allylic migration accompanied by dearomatization, thus the 5-membered ring product was formed selectively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. The lowest excited singlet state of isolated 1-phenyl-butadiene and 1-phenyl-hexatriene

    NARCIS (Netherlands)

    Kohler, B.E.; Shaler, T.A.; Buma, W.J.; Song, K.; Nuss, J.M.

    1992-01-01

    We report vibrationally resolved S0S1 excitation spectra and vibronic level decay times for the phenyl-substituted polyenes 1-phenylbutadiene and 1-phenylhexatriene seeded in supersonic He expansions. This information was obtained using one- and two-color resonance-enhanced multiphoton ionization

  4. 3′,7′,7′-Trimethyl-1′-phenyl-5′,6′,7′,8′-tetrahydrospiro[indoline-3,4′-(1H,4H-pyrazolo[3,4-b]chromene]-2,5′-dione

    Directory of Open Access Journals (Sweden)

    Li-Qin Zhao

    2010-12-01

    Full Text Available The title spirooxindole compound, C26H23N3O3, was prepared by the reaction of isatin, 3-methyl-1-phenyl-2-pyrazolin-5-one and 5,5-dimethylcyclohexane-1,3-dione in an ethanol solution. The fused cyclohexene ring adopts an envelope conformation. The dihedral angle between the aromatic and pyrazoline rings is 23.70 (8°. An intramolecular C—H...O interaction occurs. The crystal structure is stabilized by N—H...N hydrogen-bonding interactions, leading to a zigzag chain along the b axis.

  5. Dissociation of protonated N-(3-phenyl-2H-chromen-2-ylidene)-benzenesulfonamide in the gas phase: cyclization via sulfonyl cation transfer.

    Science.gov (United States)

    Wang, Shanshan; Dong, Cheng; Yu, Lian; Guo, Cheng; Jiang, Kezhi

    2016-01-15

    In the tandem mass spectrometry of protonated N-(3-phenyl-2H-chromen-2-ylidene)benzenesulfonamides, the precursor ions have been observed to undergo gas-phase dissociation via two competing channels: (a) the predominant channel involves migration of the sulfonyl cation to the phenyl C atom and the subsequent loss of benzenesulfinic acid along with cyclization reaction, and (b) the minor one involves dissociation of the precursor ion to give an ion/neutral complex of [sulfonyl cation/imine], followed by decomposition to afford sulfonyl cation or the INC-mediated electron transfer to give an imine radical cation. The proposed reaction channels have been supported by theoretical calculations and D-labeling experiments. The gas-phase cyclization reaction originating from the N- to C-sulfonyl cation transfer has been first reported to the best of our knowledge. For the substituted sulfonamides, the presence of electron-donating groups (R(2) -) at the C-ring effectively facilitates the reaction channel of cyclization reaction, whereas that of electron-withdrawing groups inhibits this pathway. Copyright © 2015 John Wiley & Sons, Ltd.

  6. The Amount of Wear in Attachment of Implant-Supported Overdentures in Mandible

    Directory of Open Access Journals (Sweden)

    Fariborz Vafaee

    2016-10-01

    Full Text Available Background and objectives: One of the simplest and cheapest attachments for overdentures, is the ball-type attachment, however, keeping it during the first year of prosthesis delivery and after that is one of the main concerns of dentists. The present study aimed to assess the wear of matrix in overdentures attachment supported by one, two and three implants in the mandible. Materials and methods: Thirty edentulous patients were randomly divided into three groups: the first group received a single implant in the midline of the lower mandible, the second group two implants in areas B and D, and the third group three implants in areas B, C, and D. The attachment used in patients’ prosthetic with single and two implants was O-ball/ring attachment and for patients with three implants, the treatment plan was ball bar-supported attachments. After placing the new matrix implant for each patient and obtaining their consent, the matrix wear was measured with CMM (Coordinate Measuring Machine device. To compare matrix wear after six months and one year, measurements were repeated. Data analysis, using ANOVA and multiple comparisons was down by Tukey Test. variance with repeated measures and Tukey test were used to compare the groups two-by-two. P.value less than 0.05 was set statistical significant. SPSS 16 software was used for data analysis. Results: The data obtained from the CMM device showed that the lowest mean matrix wear in the maximum single implant and maximum mean were in group two. Conclusion: Both time and the number of implants had a significant effect on the wear of the O-ring.

  7. Large enhancement of thermoelectric effects in a tunneling-coupled parallel DQD-AB ring attached to one normal and one superconducting lead

    Science.gov (United States)

    Yao, Hui; Zhang, Chao; Li, Zhi-Jian; Nie, Yi-Hang; Niu, Peng-bin

    2018-05-01

    We theoretically investigate the thermoelectric properties in a tunneling-coupled parallel DQD-AB ring attached to one normal and one superconducting lead. The role of the intrinsic and extrinsic parameters in improving thermoelectric properties is discussed. The peak value of figure of merit near gap edges increases with the asymmetry parameter decreasing, particularly, when asymmetry parameter is less than 0.5, the figure of merit near gap edges rapidly rises. When the interdot coupling strengh is less than the superconducting gap the thermopower spectrum presents a single-platform structure. While when the interdot coupling strengh is larger than the gap, a double-platform structure appears in thermopower spectrum. Outside the gap the peak values of figure of merit might reach the order of 102. On the basis of optimizing internal parameters the thermoelectric conversion efficiency of the device can be further improved by appropriately matching the total magnetic flux and the flux difference between two subrings.

  8. Absorption and emission spectroscopic characterization of 10-phenyl-isoalloxazine derivatives

    International Nuclear Information System (INIS)

    Shirdel, J.; Penzkofer, A.; Prochazka, R.; Daub, J.; Hochmuth, E.; Deutzmann, R.

    2006-01-01

    The flavoquinone dyes 10-phenyl-isoalloxazine-3-acetic acid ethyl ester (1) and 10-(4-bromo-phenyl)-3-methyl-isoalloxazine (2) in dichloromethane, acetonitrile, and methanol are characterized by absorption and emission spectroscopy. Absorption cross-section spectra, stimulated emission cross-section spectra, fluorescence quantum distributions, quantum yields, lifetimes, and degrees of fluorescence polarization are determined. The blue-light photo-degradation of the dyes is studied. Mass spectroscopic measurements reveal the formation of phenyl-benzo-pteridine (isoalloxazine) derivatives, tetraaza-benzo-aceanthrylene derivatives, dihydro-quinooxaline derivatives, and pyrazino-carbazole derivatives. An enhancement of photo-degradation is observed by the formed photo-fragments

  9. Synthesis and Radiolabeling of Modified Peptides Attached to Heterocyclic Rings and Their Possible Medical Applications

    International Nuclear Information System (INIS)

    Shams El-Din, H.A.A.

    2012-01-01

    Keeping in mind the pharmacological potential of heterocyclic rings as well as the advantage of biodegradability and biocompatibility of amino acids/peptides, in this thesis we were prompted for the following: 1. Synthesis of novel dipeptide derivatives coupled with different heterocyclic rings (pyridine, 1,2,4-triazol-pyridine, 1,3,4-oxadiazolpyridine and tetrazol-pyridine rings). 2. Characterization of the synthesized compounds on the basis of their spectral data (IR, Mass and 1 H-NMR spectra). 3. Study their antimicrobial activity as one of their expected biological activities. 4. Study the radioiodination of some synthesized dipeptide derivatives. 5. Study the biodistribution of the radiolabeled compounds in normal mice as preliminary studies for the possibility of using them as agents for imaging and treatment.

  10. A theoretical and shock tube kinetic study on hydrogen abstraction from phenyl formate.

    Science.gov (United States)

    Ning, Hongbo; Liu, Dapeng; Wu, Junjun; Ma, Liuhao; Ren, Wei; Farooq, Aamir

    2018-06-12

    The hydrogen abstraction reactions of phenyl formate (PF) by different radicals (H/O(3P)/OH/HO2) were theoretically investigated. We calculated the reaction energetics for PF + H/O/OH using the composite method ROCBS-QB3//M06-2X/cc-pVTZ and that for PF + HO2 at the M06-2X/cc-pVTZ level of theory. The high-pressure limit rate constants were calculated using the transition state theory in conjunction with the 1-D hindered rotor approximation and tunneling correction. Three-parameter Arrhenius expressions of rate constants were provided over the temperature range of 500-2000 K. To validate the theoretical calculations, the overall rate constants of PF + OH → Products were measured in shock tube experiments at 968-1128 K and 1.16-1.25 atm using OH laser absorption. The predicted overall rate constants agree well with the shock tube data (within 15%) over the entire experimental conditions. Rate constant analysis indicates that the H-abstraction at the formic acid site dominates the PF consumption, whereas the contribution of H-abstractions at the aromatic ring increases with temperature. Additionally, comparisons of site-specific H-abstractions from PF with methyl formate, ethyl formate, benzene, and toluene were performed to understand the effects of the aromatic ring and side-chain substituent on H-abstraction rate constants.

  11. Cell culture arrays using micron-sized ferromagnetic ring-shaped thin films

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Chen-Yu; Wei, Zung-Hang, E-mail: wei@pme.nthu.edu.tw [Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu City 300, Taiwan (China); Lai, Mei-Feng; Ger, Tzong-Rong [Institute of NanoEngineering and MicroSystems, National Tsing Hua University, Hsinchu City 300, Taiwan (China)

    2015-05-07

    Cell patterning has become an important technology for tissue engineering. In this research, domain walls are formed at the two ends of a ferromagnetic ring thin film after applying a strong external magnetic field, which can effectively attract magnetically labeled cells and control the position for biological cell. Magnetophoresis experiment was conducted to quantify the magnetic nanoparticle inside the cells. A ring-shaped magnetic thin films array was fabricated through photolithography. It is observed that magnetically labeled cells can be successfully attracted to the two ends of the ring-shaped magnetic thin film structure and more cells were attracted and further attached to the structures. The cells are co-cultured with the structure and kept proliferating; therefore, such ring thin film can be an important candidate for in-vitro biomedical chips or tissue engineering.

  12. Cell culture arrays using micron-sized ferromagnetic ring-shaped thin films

    International Nuclear Information System (INIS)

    Huang, Chen-Yu; Wei, Zung-Hang; Lai, Mei-Feng; Ger, Tzong-Rong

    2015-01-01

    Cell patterning has become an important technology for tissue engineering. In this research, domain walls are formed at the two ends of a ferromagnetic ring thin film after applying a strong external magnetic field, which can effectively attract magnetically labeled cells and control the position for biological cell. Magnetophoresis experiment was conducted to quantify the magnetic nanoparticle inside the cells. A ring-shaped magnetic thin films array was fabricated through photolithography. It is observed that magnetically labeled cells can be successfully attracted to the two ends of the ring-shaped magnetic thin film structure and more cells were attracted and further attached to the structures. The cells are co-cultured with the structure and kept proliferating; therefore, such ring thin film can be an important candidate for in-vitro biomedical chips or tissue engineering

  13. Interactions between stacked layers of phenyl-modified silicene

    International Nuclear Information System (INIS)

    Spencer, Michelle J S; Snook, Ian K; Bassett, Michael R; Morishita, Tetsuya; Nakano, Hideyuki

    2013-01-01

    We use density functional theory (DFT) calculations to determine the interaction between phenyl-modified silicene nanosheets. The adhesion energy curves between the nanosheets are compared for different van der Waals density functional (vdW-DF) functionals and the DFT-D2 Grimme method. Our results show that there is a weak attraction between the sheets at close separations, that is stronger when vdWs forces are included. Without including vdWs forces the interaction is negligible and occurs at a much larger separation, highlighting the need to include such forces when modelling these nanosheets. Of the vdWs methods, the optB88 functional gives the strongest interaction energy while the Grimme gives the weakest, with the separation at which the nanosheets adhere more strongly varying between 10.04 and 11.24 Å, as measured by the distance between the silicene layers. As the modified nanosheets are brought closer together at separations as close at  ∼ 8 Å, the phenyl groups on the bottom of one nanosheet can fit in between the phenyl groups on the top of the adjacent nanosheet allowing some π − π interaction between the phenyl groups. We showed that the band gap can be modified by compressing the nanosheets together while retaining a small attraction between them. There is also a change from a direct to an indirect band gap. Such a property may be exploited for the application of these nanomaterials in optoelectronic devices. (paper)

  14. N′-[Bis(benzylsulfanylmethylidene]-4-methoxybenzohydrazide

    Directory of Open Access Journals (Sweden)

    Jerry P. Jasinski

    2010-08-01

    Full Text Available In the title compound, C23H22N2O2S2, the dihedral angles between the 4-methoxy-substituted phenyl ring and the other two phenyl rings are 84.4 (4 and 77.7 (1°, respectively, while the dihedral angle between the two phenyl rings is 57.5 (2°. The amino group is not involved in an N—H hydrogen bond. The crystal packing is established by intermolecular C—H...O packing interactions involving a relatively rare weak three-center hydrogen bond between the keto O atom and H atoms of the two nearby phenyl rings, which link the molecules into chains running along the a axis. Additional weak intermolecular hydrogen-bond interactions between the 4-methoxy O atom and one of the phenyl rings and provide added stability to the crystal packing.

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

    Science.gov (United States)

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

    2006-10-13

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

  16. Synthesis and Characterisation of Tris(1-carboxyl-2-phenyl-1,2-ethyl eno dithiol enic-S,S') Tungsten Complex as Photo catalyst for Photolysis of H2O Molecules

    International Nuclear Information System (INIS)

    Fadhli Hadana Rahman; Rusli Daik; Mohammad Kassim; Khuzaimah; Wan Ramli Wan Daud

    2008-01-01

    Tris(1-carboxyl-2-phenyl-1,2-ethylenodithiolenic-S,S ' ) tungsten complex is one of the most promising photo catalyst to be used in photolysis of water to produce hydrogen. The first step of the synthesis involves a metathesis reaction of tetrapropylammonium bromide [((C 3 H 7 ) 4 N)Br] and ammonium tetrathiotungstate [(NH 4 ) 2 WS 4 ] to form a tetrapropylammonium tetrathiotungstate [((C 3 H 7 ) 4 N) 2 WS 4 ] (precursor). Then, the precursor was reacted with phenyl acetylenecarboxylic acid (C 9 H 6 O 2 ) to form tris(1-carboxyl-2-phenyl-1,2-ethylenodithiolenic-S,S ' ) tungsten complex (C 27 H 18 O 2 S 6 W). The infra-red, ultra violet/ visible (UV/ Vis) spectrum, nuclear magnetic resonance (NMR) and elemental micro-analysis of C, H, N and S agreed with the characteristic of the tris(1-carboxyl-2-phenyl-1,2-ethylenodithiolenic-S,S ' ) tungsten complex. The (W-S), (C-S) and (C=O) stretching frequencies were detected at 511, (1470 and 1035) and 1655 cm -1 , respectively. The 1 H NMR spectrum showed six protons in the complex. The 13 C NMR showed only 7 signals for carbon atom in the benzene ring, ethylene groups and carboxylic acid pendant group due to the symmetry of the molecules. The reaction yield was about 50 percent. Photolysis of acetone spiked H 2 O showed that the catalyst was able to produced 1.8 μmol/ h hydrogen. (author)

  17. Regioselective Nucleophilic Ring Opening of Epoxides and Aziridines derived from Homoallylic Alcohols

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Groth, Thomas

    1997-01-01

    The regioselectivity of nucleophilic ring opening of some 3,4-epoxy and 3,4-aziridino alcohols has been studied. The nucleophiles chosen were complex hydrides (LiAlH4, Red-Al and DIBAL) and Lipshutz- or Gilman-type organocuprate reagents. The C-4 substituent in the substrates was varied in order...... to study steric and electronic effects on the ring opening reactions. For alkyl substituents at C-4, most of the results can be explained on the basis of intramolecular delivery of the nucleophile to C-3 via a six-membered transition state, leading to 1,4-diols or 1,4-amino alcohol derivatives. In general......, the epoxy alcohols gave poorer regioselectivity than the N-tosyl aziridino alcohols, for which selectivities of >95:5 were routinely obtained. The activating effect of a phenyl group at C-4 led to a switch in regiochemistry, with the 1,3-diol or 1,3-amino alcohol derivative as the major product. (C) 1997...

  18. Steric/π-electronic insulation of the carbo-benzene ring: dramatic effects of tert-butyl vs phenyl crowns on geometric, chromophoric, redox and magnetic properties.

    Science.gov (United States)

    Listunov, Dymytrii; Duhayon, Carine; Poater, Albert; Mazères, Serge; Saquet, Alix; Maraval, Valérie; Chauvin, Remi

    2018-04-13

    Hexa-tert-butyl-carbo-benzene C18tBu6 and three phenylated counterparts C18tBumPh6-m (m = 4, 2) have been synthesized. The peralkylated version (m = 6) provides experimental access to intrinsic features of the insulated C18 core independently from the influence of π-conjugated substituent. Over the series, structural, spectroscopical and electrochemical properties are compared with those of the hexaphenylated reference (m = 0). Anchoring tBu substituents at the C18 macrocycle is shown to enhance stability and solubility, and to dramatically modify UV-vis absorption and redox properties. Whereas all the carbo-benzenes reported hitherto were obtained as dark-reddish/greenish solids, crystals and solutions of C18tBu6 happen to be yellow (max = 379 nm vs 472 nm for C18Ph6). By comparison to C18Ph6, reduction of C18tBu6 remains reversible but occurs at a twice higher absolute potential (E1/2 = -1.36 V vs -0.72 V). Systematic X-ray diffraction analyses and DFT calculations show that the C18 ring symmetry is the nearest to D6h for m = 6, indicating a maximum geometrical aromaticity. According to calculated nucleus independent chemical shifts, the macrocyclic magnetic aromaticity is also found to be maximum for C18tBu6: NICS(0)=-17.2 ppm, vs -18.0±0.1 ppm for the theoretical references C18H6 and C18F6, and -13.5 ppm for C18Ph6. Accurate correlations of NICS(0) with experimental or calculated maximum UV-vis absorption wavelength max and chemical hardness =ELUMO-EHOMO are evidenced. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. 2-Phenyl-7-(4-pyridylmethylamino-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H-oneFused heterocyclic systems with s-triazine ring. Part 17. For part 16, see Dolzhenko et al. (2011.

    Directory of Open Access Journals (Sweden)

    Lip Lin Koh

    2011-01-01

    Full Text Available In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å. The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23°], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9°]. The amino group H atom is involved in intramolecular hydrogen bonding with a triazole N atom. In the crystal, molecules are connected via C(=ONH...N hydrogen bonds into C(11 chains parallel to [100]. The amino group H atom acts as a hydrogen-bond donor, forming an NH...O=C hydrogen bond with the carbonyl O atom, which links the molecules into C(6 chains running along [011] and [01overline{1}].

  20. Gated-controlled electron pumping in connected quantum rings

    International Nuclear Information System (INIS)

    Lima, R.P.A.; Domínguez-Adame, F.

    2014-01-01

    We study the electronic transport across connected quantum rings attached to leads and subjected to time-harmonic side-gate voltages. Using the Floquet formalism, we calculate the net pumped current generated and controlled by the side-gate voltage. The control of the current is achieved by varying the phase shift between the two side-gate voltages as well as the Fermi energy. In particular, the maximum current is reached when the side-gate voltages are in quadrature. This new design based on connected quantum rings controlled without magnetic fields can be easily integrated in standard electronic devices. - Highlights: • We introduce and study a minimal setup to pump electrons through connected quantum rings. • Quantum pumping is achieved by time-harmonic side-gate voltages instead of the more conventional time-dependent magnetic fluxes. • Our new design could be easily integrated in standard electronic devices

  1. Insecticidal, repellent and fungicidal properties of novel trifluoromethylphenyl amides.

    Science.gov (United States)

    Tsikolia, Maia; Bernier, Ulrich R; Coy, Monique R; Chalaire, Katelyn C; Becnel, James J; Agramonte, Natasha M; Tabanca, Nurhayat; Wedge, David E; Clark, Gary G; Linthicum, Kenneth J; Swale, Daniel R; Bloomquist, Jeffrey R

    2013-09-01

    Twenty trifluoromethylphenyl amides were synthesized and evaluated as fungicides and as mosquito toxicants and repellents. Against Aedes aegypti larvae, N-(2,6-dichloro-4-(trifluoromethyl)phenyl)-3,5-dinitrobenzamide (1e) was the most toxic compound (24 h LC50 1940 nM), while against adults N-(2,6-dichloro-4-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide (1c) was most active (24 h LD50 19.182 nM, 0.5 μL/insect). However, the 24 h LC50 and LD50 values of fipronil against Ae. aegypti larvae and adults were significantly lower: 13.55 nM and 0.787 × 10(-4) nM, respectively. Compound 1c was also active against Drosophila melanogaster adults with 24 h LC50 values of 5.6 and 4.9 μg/cm(2) for the Oregon-R and 1675 strains, respectively. Fipronil had LC50 values of 0.004 and 0.017 μg/cm(2) against the two strains of D. melanogaster, respectively. In repellency bioassays against female Ae. aegypti, 2,2,2-trifluoro-N-(2-(trifluoromethyl)phenyl)acetamide (4c) had the highest repellent potency with a minimum effective dosage (MED) of 0.039 μmol/cm(2) compared to DEET (MED of 0.091 μmol/cm(2)). Compound N-(2-(trifluoromethyl)phenyl)hexanamide (4a) had an MED of 0.091 μmol/cm(2) which was comparable to DEET. Compound 4c was the most potent fungicide against Phomopsis obscurans. Several trends were discerned between the structural configuration of these molecules and the effect of structural changes on toxicity and repellency. Para- or meta- trifluoromethylphenyl amides with an aromatic ring attached to the carbonyl carbon showed higher toxicity against Ae. aegypti larvae, than ortho- trifluoromethylphenyl amides. Ortho- trifluoromethylphenyl amides with trifluoromethyl or alkyl group attached to the carbonyl carbon produced higher repellent activity against female Ae. aegypti and Anopheles albimanus than meta- or para- trifluoromethylphenyl amides. The presence of 2,6-dichloro- substitution on the phenyl ring of the amide had an influence on larvicidal and repellent

  2. Chemistry of the pyrazolidines. 26. Alkylation of 4-benzyliden-1-phenyl-3,5-dioxopyrazolidines

    International Nuclear Information System (INIS)

    Moldarev, B.L.; Aronzon, M.E.; Adanin, V.M.; Zyakun, A.M.

    1986-01-01

    The reaction of 4-benzyliden-1-phenyl-3,5-dioxopyrazolidines with alkyl halides in the presence of sodium alkoxide gave 1-phenyl-2-alkyl-4-benzyliden- and 1-phenyl-2,4-dialkyl-4-(α-alkoxybenzyl)-3,4-dioxopyrazolines. The structures of these compounds were confirmed by UV, IR, and PMR spectroscopy, and by mass-spectrometry

  3. Crystal structure of [2-({4-[2,6-bis(pyridin-2-ylpyridin-4-yl]phenyl}(methylaminoethanol-κ3N,N′,N′′]bis(thiocyanato-κNzinc N,N-dimethylformamide monosolvate

    Directory of Open Access Journals (Sweden)

    Shi-Chao Wang

    2014-10-01

    Full Text Available In the title compound, [Zn(NCS2(C24H22N4O]·C3H7NO, the ZnII cation is N,N′,N′′-chelated by one 2-({4-[2,6-bis(pyridin-2-ylpyridin-4-yl]phenyl}(methylaminoethanol ligand and coordinated by two thiocyanate anions in a distorted N5 trigonal–bipyramidal geometry. In the molecule, the three pyridine rings are approximately coplanar [maximum deviation = 0.026 (5 Å], and the mean plane of the three pyridine rings is twisted to the benzene ring with a small dihedral angle of 5.9 (2°. In the crystal, complex molecules are linked by weak C—H...O hydrogen bonds into supramolecular chains propagated along [110]; π–π stacking is observed between adjacent chains [centroid–centroid distance = 3.678 (4 Å]. The dimethylformamide solvent molecules are linked with the complex chains via weak C—H...O hydrogen bonds.

  4. Spin separation driven by quantum interference in ballistic rings

    International Nuclear Information System (INIS)

    Bellucci, S; Onorato, P

    2008-01-01

    We propose an all-electrical nanoscopic structure where a pure spin current is induced in the transverse probes attached to a quantum-coherent ballistic quasi-one-dimensional ring when conventional unpolarized charge current is injected through its longitudinal leads. The study is essentially based on the spin-orbit coupling (SOC) arising from the laterally confining electric field (β-SOC). This sets the basic difference with other works employing mesoscopic rings with the conventional Rashba SO term (α-SOC). The β-SOC ring generates oscillations of the predicted spin Hall current due to spin-sensitive quantum-interference effects caused by the difference in phase acquired by opposite spins states traveling clockwise and counterclockwise. We focus on single-channel transport and solve analytically the spin polarization of the current. We relate the presence of a polarized spin current with the peaks in the longitudinal conductance.

  5. Synthesis, Structure Optimization and Antifungal Screening of Novel Tetrazole Ring Bearing Acyl-Hydrazones

    Directory of Open Access Journals (Sweden)

    Manzoor A. Malik

    2012-08-01

    Full Text Available Azoles are generally fungistatic, and resistance to fluconazole is emerging in several fungal pathogens. In an attempt to find novel azole antifungal agents with improved activity, a series of tetrazole ring bearing acylhydrazone derivatives were synthesized and screened for their in vitro antifungal activity. The mechanism of their antifungal activity was assessed by studying their effect on the plasma membrane using flow cytometry and determination of the levels of ergosterol, a fungal-specific sterol. Propidium iodide rapidly penetrated a majority of yeast cells when they were treated with the synthesized compounds at concentrations just above MIC, implying that fungicidal activity resulted from extensive lesions of the plasma membrane. Target compounds also caused a considerable reduction in the amount of ergosterol. The results also showed that the presence and position of different substituents on the phenyl ring of the acylhydrazone pendant seem to play a role on the antifungal activity as well as in deciding the fungistatic and fungicidal nature of the compounds.

  6. An Efficient Synthesis of 1-Alkyl-2-phenyl-4-quinolones from 2-Halobenzoic Acids

    International Nuclear Information System (INIS)

    Song, Yoon Ju; Choi, Jin Sun; Lee, Jae In

    2013-01-01

    The present method offers an efficient synthesis of 1-alkyl-2-phenyl-4-quinolones from 2-haloben-zoic acids. It has the advantages with respect to (i) synthesis of 2 equiv of alkynones 5 from 1 equiv of 4,6-pyrimidyl di(2-halobenzoates) 3, (ii) synthesis of versatile 1-alkyl-2-phenyl-4-quinolones in high overall yields, and (iii) use of readily available and cheap starting materials. Therefore, this method could be utilized as a practical synthesis of 1-alkyl-2-phenyl-4-quinolones. Several methods have been developed to synthesize 1-alkyl-2-phenyl-4-quinolones from 2'-substituted acetophenones, anilines, and 2-halobenzoyl chlorides as starting materials. The reaction of N-methylisatoic anhydride with the lithium enolate of an 4'-methoxyacetophenone afforded the 1-methyl-2-phenyl-4-quinolone in a short sequence, but the yield was low. N-(2-Acetylphenyl)benzamides, prepared by Friedel-Crafts acylation of N-phenyl benzamides with acetyl chloride or benzoylation of 2'-aminoacetophenones with benzoyl chlorides,8 were cyclized with potassium t-butoxide to yield 2-aryl-4-quinolones, which were further alkylated with alkyl iodides to give 1-alkyl-2-aryl-4-quinolones

  7. An Efficient Synthesis of 1-Alkyl-2-phenyl-4-quinolones from 2-Halobenzoic Acids

    Energy Technology Data Exchange (ETDEWEB)

    Song, Yoon Ju; Choi, Jin Sun; Lee, Jae In [Duksung Women' s Univ., Seoul (Korea, Republic of)

    2013-10-15

    The present method offers an efficient synthesis of 1-alkyl-2-phenyl-4-quinolones from 2-haloben-zoic acids. It has the advantages with respect to (i) synthesis of 2 equiv of alkynones 5 from 1 equiv of 4,6-pyrimidyl di(2-halobenzoates) 3, (ii) synthesis of versatile 1-alkyl-2-phenyl-4-quinolones in high overall yields, and (iii) use of readily available and cheap starting materials. Therefore, this method could be utilized as a practical synthesis of 1-alkyl-2-phenyl-4-quinolones. Several methods have been developed to synthesize 1-alkyl-2-phenyl-4-quinolones from 2'-substituted acetophenones, anilines, and 2-halobenzoyl chlorides as starting materials. The reaction of N-methylisatoic anhydride with the lithium enolate of an 4'-methoxyacetophenone afforded the 1-methyl-2-phenyl-4-quinolone in a short sequence, but the yield was low. N-(2-Acetylphenyl)benzamides, prepared by Friedel-Crafts acylation of N-phenyl benzamides with acetyl chloride or benzoylation of 2'-aminoacetophenones with benzoyl chlorides,8 were cyclized with potassium t-butoxide to yield 2-aryl-4-quinolones, which were further alkylated with alkyl iodides to give 1-alkyl-2-aryl-4-quinolones.

  8. Features of the Diels-Alder reaction between 9,10-diphenylanthracene and 4-phenyl-1,2,4-triazoline-3,5-dione

    Science.gov (United States)

    Kiselev, V. D.; Kornilov, D. A.; Kashaeva, E. A.; Potapova, L. N.; Krivolapov, D. B.; Litvinov, I. A.; Konovalov, A. I.

    2014-12-01

    The Diels-Alder reaction between substituted anthracenes 1a-1j and 4-phenyl-1,2,4-triazoline-3,5 ( 2) is studied. In all cases except one, the reaction proceeds on the most active 9,10-atoms of substituted anthracenes. The orthogonality of the two phenyl groups at the 9,10-position of diene 1a is found to shield 9,10-reactive centers. No dienophiles with C=C bonds are shown to participate in the Diels-Alder reaction with 1a; however, the reaction 1a + 2 proceeds with the very active dienophile 2,4-phenyl-1,2,4-triazoline-3,5-dione. It is shown that attachment occurs on the less active but sterically accessible 1,4-reactive center of diene 1a. The structure of adduct 3a is proved by 1H and 13C NMR spectroscopy and X-ray diffraction analysis. The following parameters are obtained for reaction 1a + 2 ⇆ 3a in toluene at 25°C: K eq = 2120 M-1, Δ Hf ≠ = 58.6 kJ/mol, Δ Sf ≠ = -97 J/(mol K), Δ Vf ≠ = -17.2 cm3/mol, Δ Hb ≠ = 108.8 kJ/mol, Δ Sb ≠ = 7.3 J/(mol K), Δ Vb ≠ = -0.8 cm3/mol, Δ H r-n = -50.2 kJ/mol, Δ S r-n = -104.3 J/(mol K), Δ V r-n = -15.6 cm3/mol. It is concluded that the values of equilibrium constants of the reactions 1a-1j + 2 ⇆ 3a-3j vary within 4 × 101-1011 M-1.

  9. Ideal gas thermodynamic properties for the phenyl, phenoxy, and o-biphenyl radicals

    Science.gov (United States)

    Burcat, A.; Zeleznik, F. J.; Mcbride, B. J.

    1985-01-01

    Ideal gas thermodynamic properties of the phenyl and o-biphenyl radicals, their deuterated analogs and the phenoxy radical were calculated to 5000 K using estimated vibrational frequencies and structures. The ideal gas thermodynamic properties of benzene, biphenyl, their deuterated analogs and phenyl were also calculated.

  10. Fixation of chiral smectic liquid crystal (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate using UV curing techniques

    Energy Technology Data Exchange (ETDEWEB)

    Afrizal,, E-mail: rizalunj04@yahoo.com; Nurdelima,; Umeir [Faculty of Mathemathics and Natural Science, University of State Jakarta, Jakarta (Indonesia); Hikam, Muhammad; Soegiyono, Bambang [Department of Materials Science, University of Indonesia, Depok (Indonesia); Riswoko, Asep [Center for Material Technology, BPPT, Jl. MH.Thamrin 8 Jakarta (Indonesia)

    2014-03-24

    Chiral Smectic Liquid Crystal (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate has been synthesized using method of steglich esterification at room temperature. The mesomorphic behavior of chiral smectic at 55°C that showed schlieren texture in POM analysis. Fixation of structure chiral smectic liquid crystal by means of photopolymerization of monomer (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate under UV irradiation which called UV curing techniques. The curing process using UV 3 lamps 100 volt at 60°C for an hour. The product of photopolymerization could be seen by analysis of FTIR spectra both monomer and polymer. FTIR spectra of monomer, two peaks for ester carbonyl and C-C double bond groups appeared at 1729.09 cm-1and 3123.46 cm{sup −1}. After UV curing process, peak for the carbonyl group at 1729.09 cm{sup −1} decreased and a new peak at 1160.21 cm{sup −1} appeared due to the carbonyl group attached to a C-C bond group and then peak at 3123.46 cm{sup −1} for C-C double bond group was disappeared.

  11. God attachment, mother attachment, and father attachment in early and middle adolescence.

    Science.gov (United States)

    Sim, Tick Ngee; Yow, Amanda Shixian

    2011-06-01

    The present study examined the interplay of attachment to God, attachment to mother, and attachment to father with respect to adjustment (hope, self-esteem, depression) for 130 early and 106 middle adolescents in Singapore. Results showed that the parental attachments were generally linked (in expected directions) to adjustment. God attachment, however, had unique results. At the bivariate level, God attachment was only linked to early adolescents' self-esteem. When considered together with parental attachments (including interactions), God attachment did not emerge as the key moderator in attachment interactions and yielded some unexpected results (e.g., being positively linked to depression). These results are discussed viz-a-viz the secure base and safe haven functions that God and parental attachments may play during adolescence.

  12. Growth and characterization of new nonlinear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) single crystals

    Science.gov (United States)

    Ravindraswami, K.; Janardhana, K.; Gowda, Jayaprakash; Moolya, B. Narayana

    2018-04-01

    Non linear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) was synthesized using Claisen - Schmidt condensation method and studied for optical nonlinearity with an emphasis on structure-property relationship. The structural confirmation studies were carried out using 1H-NMR, FT-IR and single crystal XRD techniques. The nonlinear absorption and nonlinear refraction parameters in z-scan with nano second laser pulses were obtained by measuring the profile of propagated beam through the samples. The real and imaginary parts of third-order bulk susceptibility χ(3) were evaluated. Thermo gravimetric analysis is carried out to investigate the thermal stability.

  13. Quantification of Applied Stresses of C-Ring Specimens for Stress Corrosion Cracking Tests

    International Nuclear Information System (INIS)

    Kim, Woo Gon; Kim, Sun Jae; Rhee, Chang Kyu; Kuk, Il Hiun; Choi, Jong Ho

    1997-01-01

    For comparing their resistances for stress-corrosion cracking(SCC) in the K600-MA, K690-MA, and K600-TT tubes, C-ring specimens were fabricated with the various thermal-treatments to control the distributions of the precipitates like Cr-carbides. The bending stresses were analyzed to determine the amounts to make the stress quantitatively to all the C-ring samples, and then the stresses were calculated with the relation to the outer diameter(O.D) deflection(δ) of the C-rings. To measure accurately the bending strains of the C-ring specimens, the strain gauges were used and the compression test was also carried out. In the elastic region, the stresses in both the transverse and the circumferential directions were different with the locations of the strain gauges as attached at α= 30 .deg., 45 .deg., and 90 .deg. to the principal stress direction, but those in the longitudinal direction were independent of their attached locations. Calculated stresses from the strains obtained using the strain gauges were well agreed with the theoretical. In the plastic region over δ=1.0mm, the stresses for the TT tubes showed lower values of about 400MPa than those for the MA tubes. However, the stresses among the TT tubes showed almost the similar values in this region. Therefore, the states of the stresses applied to the C-ring specimens would be different with the material conditions, i.e, the chemical compositions, the thermal treatments such as MA and TT

  14. Electrochemistry of chromium(0)-aminocarbene complexes

    International Nuclear Information System (INIS)

    Hoskovcova, Irena; Rohacova, Jana; Meca, Ludek; Tobrman, Tomas; Dvorak, Dalimil; Ludvik, Jiri

    2005-01-01

    Two series of chromium(0)-(aryl)aminocarbene complexes substituted on the ligand phenyl ring were prepared and electrochemically investigated: pentacarbonyl((N,N-dimethylamino)(phenyl)carbene(chromium(0) (Ia-e) and chelated tetracarbonyl((η 2 -N-allyl-N-allylamino)(phenyl)carbene(chromium(0) (IIa, c-e). For comparison, a tungsten analogue of IIc (III) and a chromium chelate bearing a methyl substituent instead of the phenyl group IV were taken into the study. The intramolecular interactions of p-substituents on the ligand phenyl ring with the reduction and oxidation centres of the molecule of complex (followed electrochemically using LFER [P. Zuman, Substituent Effects in Organic Polarography, Plenum Press, New York, 1967]) enabled to localize the corresponding electron transfer. The influence of the type of coordination, the substituent on the ligand phenyl ring and the central metal atom on oxidation and reduction potentials is discussed

  15. 10-{4-[(2-Hydroxybenzylideneamino]phenyl}-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinin-4-ium-5-uide

    Directory of Open Access Journals (Sweden)

    Zhensheng Li

    2013-07-01

    Full Text Available The title compound, C26H24BF2N3O, comprises a boron–dipyrromethene (BODIPY framework and a phenolic Schiff base substituent group. The BODIPY unit is close to planar [maximum deviation from the least-squares plane = 0.040 (3 Å], and forms a dihedral angle of 80.38 (13° with the meso-substituent phenyl ring and an angle of 56.57 (13° with the phenolic ring in the extended substituent chain. An intramolecular O—H...N hydrogen bond is formed between the phenolic hydroxyl group and the Schiff base N-atom. The crystal studied was a non-merohedral twin with a BASF factor of 0.447 (3 for the two components.

  16. /sup 13/C, /sup 17/O, and /sup 33/S NMR spectra of alkyl phenyl sulfones C/sub 6/H/sub 5/SO/sub 2/Alk

    Energy Technology Data Exchange (ETDEWEB)

    Bzhezovskii, V.M.; Valeev, R.B.; Kalabin, G.A.; Aliev, I.A.

    1987-06-20

    The /sup 13/C, /sup 17/O, and /sup 33/S NMR spectra of alkyl phenyl sulfones C/sub 6/H/sub 5/SO/sub 2/Alk were obtained. The changes in the screening of the /sup 13/C, /sup 17/O, and /sup 33/S nuclei in these compounds are determined by the effect of the alkyl substituents, which alternates in sign and decreases along the chain of atoms in the order: CH/sub 3/, C/sub 2/H/sub 5/, iso-C/sub 3/H/sub 7/, and tert-C/sub 4/H/sub 9/. In the alkyl phenyl sulfides C/sub 6/H/sub 5/SAlk the additional effect of disruption in the p,..pi.. interaction between the sulfur atom and the benzene ring as a result of conformational changes is superimposed on the screening of the /sup 13/C/sup ortho/ nuclei. For the changes in the screening of the /sup 13/C/sup para/ nuclei in C/sub 6/H/sub 5/SAlk the steric disruption of the p,..pi.. conjugation by the alkyl substituents is determining.

  17. Debye ring diffraction elucidation of 2D photonic crystal self-assembly and ordering at the air-water interface.

    Science.gov (United States)

    Smith, N L; Coukouma, A; Dubnik, S; Asher, S A

    2017-12-06

    We fabricate 2D photonic crystals (2DPC) by spreading a dispersion of charged colloidal particles (diameters = 409, 570, and 915 nm) onto the surface of electrolyte solutions using a needle tip flow method. When the interparticle electrostatic interaction potential is large, particles self-assemble into highly ordered hexagonal close packed (hcp) monolayers. Ordered 2DPC efficiently forward diffract monochromatic light to produce a Debye ring on a screen parallel to the 2DPC. The diameter of the Debye ring is inversely proportional to the 2DPC particle spacing, while the Debye ring brightness and thickness depends on the 2DPC ordering. The Debye ring thickness increases as the 2DPC order decreases. The Debye ring ordering measurements of 2DPC attached to glass slides track measurements of the 2D pair correlation function order parameter calculated from SEM micrographs. The Debye ring method was used to investigate the 2DPC particle spacing, and ordering at the air-solution interface of NaCl solutions, and for 2DPC arrays attached to glass slides. Surprisingly, the 2DPC ordering does not monotonically decrease as the salt concentration increases. This is because of chloride ion adsorption onto the anionic particle surfaces. This adsorption increases the particle surface charge and compensates for the decreased Debye length of the electric double layer when the NaCl concentration is below a critical value.

  18. Phenyl N-phenylcarbamate

    Directory of Open Access Journals (Sweden)

    Durre Shahwar

    2009-06-01

    Full Text Available In the title compound, C13H11NO2, the aromatic rings are oriented at a dihedral angle of 42.52 (12°. The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds, which form infinite one-dimensional polymeric chains extending along the a axis. C—H...π interactions between the aromatic rings are also present.

  19. N-{4-[4-(4-Fluorophenyl-1-(2-methoxyethyl-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide

    Directory of Open Access Journals (Sweden)

    Stefan Laufer

    2009-12-01

    Full Text Available In the crystal structure of the title compound, C28H29FN4O2S, the imidazole ring makes dihedral angles of 11.85 (7, 73.33 (7 and 22.83 (8° with the 4-fluorophenyl, pyridine and phenyl rings, respectively. The 4-fluorophenyl ring makes dihedral angles of 77.91 (7 and 26.93 (8° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47 (9°. The crystal packing shows an intermolecular N—H...O hydrogen-bonding interaction between the N—H and carbonyl groups of the amide functions.

  20. Enzymatic synthesis of S-phenyl-L-cysteine from keratin hydrolysis industries wastewater with tryptophan synthase.

    Science.gov (United States)

    Xu, Lisheng; Wang, Zhiyuan; Mao, Pingting; Liu, Junzhong; Zhang, Hongjuan; Liu, Qian; Jiao, Qing-Cai

    2013-04-01

    An economical method for production of S-phenyl-L-cysteine from keratin acid hydrolysis wastewater (KHW) containing L-serine was developed by recombinant tryptophan synthase. This study provides us with an alternative KHW utilization strategy to synthesize S-phenyl-L-cysteine. Tryptophan synthase could efficiently convert L-serine contained in KHW to S-phenyl-L-cysteine at pH 9.0, 40°C and Trion X-100 of 0.02%. In a scale up study, L-serine conversion rate reach 97.1% with a final S-phenyl-L-cysteine concentration of 38.6 g l(-1). Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Use of an Implant O-Ring Attachment for the Tooth Supported Mandibular Overdenture: A Clinical Report

    OpenAIRE

    Guttal, Satyabodh S.; Tavargeri, Anand K.; Nadiger, Ramesh K.; Thakur, Srinath L.

    2011-01-01

    Retention of a mandibular denture can be achieved by an implant-retained or natural tooth-retained bar and stud attachment in the anterior segment of the mandible. The same design principles holds true for both implant-retained and tooth-retained methods of anchoring the bar and stud attachment. A simple and cost effective treatment for more complex implant overdenture is the concept of conventional tooth-retained overdentures. When few firm teeth still remain in a compromised dentition, pres...

  2. Papers presented at the intensive seminar on 'tree rings'

    International Nuclear Information System (INIS)

    Noda, Masato

    1991-06-01

    The fourth study meeting 'Tree growth rings' was held in Tomakomai Experimental Plantation attached to the Department of Agriculture, Hokkaido University, different from what it used to be. Though the attendance and the papers presented were not many because of the distance and the improper timing, it was very delightful that the meeting became an earnest gathering. In this report, seven papers presented at the meeting are collected. (K.I.)

  3. Influencing the electronic interaction in diferrocenyl-1-phenyl-1H-pyrroles.

    Science.gov (United States)

    Hildebrandt, Alexander; Lang, Heinrich

    2011-11-28

    Functionalised diferrocenyl-1-phenyl-1H-pyrroles were synthesised using Negishi C,C cross-coupling reactions. The influence of different substituents at the phenyl moiety on the electronic interaction was studied using electrochemistry (cyclic and square-wave voltammetry) and spectro-electrochemistry (in situ UV/Vis-NIR spectroscopy). The ferrocenyl moieties gave rise to two sequential, reversible redox processes in each of the diferrocenyl-1-phenyl-1H-pyrroles. The observed ΔE(1/2) values (ΔE(1/2) = difference between first and second oxidation) range between 420 and 480 mV. A linear relationship between the Hammett constants σ of the substituents and the separation of the redox potentials exists. The NIR measurements confirm electronic communication between the iron centers as intervalence charge transfer (IVCT) absorptions were observed in the corresponding mixed-valent monocationic species. All compounds were classified as class II systems according to Robin and Day (M. B. Robin and P. Day, Adv. Inorg. Chem., 1967, 10, 247-423). The oscillator strength of the charge transfer transition highly depends on the electron donating or electron withdrawing character of the phenyl substituents. This enables direct tuning of the intermetallic communication by simple modification of the molecule's functional group. Hence, this series of molecules may be regarded as model compounds for single molecule transistors.

  4. Polymerization of N-(fluoro phenyl) maleimides

    International Nuclear Information System (INIS)

    Barrales-Rienda, J.M.; Ramos, J.G.; Chaves, M.S.

    1979-01-01

    Poly(N-aryl maleimide)s of characteristic structures have been synthesized and some of their physical properties studied. The polymerization of N-(fluoro phenyl) maleimides by free-radical initiation in bulk or in solution and by anionic catalyst have been studied to compare the characteristics of polymerization by γ-ray irradiation with that by free-radical initiation. The polymers were characterized by elemental analysis, intrinsic viscosity, spectroscopy (IR and NMR), programmed thermogravimetric analysis, and x-ray diffraction. Spectra of polymers prepared by radiation and anionic polymerization were nearly identical with those of polymers prepared by free-radical polymerization initiated by azobisisobutyronitrile in bulk or in solution and by the self-initiated thermal polymerization. A variety of reaction conditions were tried, but all attempts to change the molecular structure of the polymers were unsuccessful. Rates of thermal degradation for poly[N-(fluoro phenyl) maleimide]s have been analyzed by using a multiple-heating-rate procedure. Overall activation energy, order of reaction, and frequency factor have been evaluated. 6 figures, 8 tables

  5. Photophysical property of rhodamine-cored poly(amidoamine) dendrimers: Simultaneous effect of spirolactam ring-opening and PET process on sensing trivalent chromium ion

    International Nuclear Information System (INIS)

    Lei Yonglin; Su Yuanqiang; Huo Jichuan

    2011-01-01

    Two novel poly(amidoamine) (PAMAM) dendrimers, comprising rhodamine B unit in the core and 1-phenyl-3-methyl-5-pyrazolone unit at the periphery, have been synthesized and characterized. Both dendrimers displayed high selectivity and sensitivity towards Cr 3+ ion. As considering the potential of being applied as fluorescent sensors for Cr 3+ ion, we studied the complexes formed between the dendrimers and Cr 3+ ion. Different PAMAM dendrimers had different recognition mechanism towards Cr 3+ ion. For dendrimer G2, the recognition of Cr 3+ was mainly due to the ring-opening of spirolactam. However, it significantly depended on the simultaneous effect of ring-opening of spirolactam and photoinduced electron transfer (PET) in the case of dendrimer G3. - Highlights: → First synthesize two novel PAMAM simultaneously containing rhodamine and pyrazolone. → Novel dendrimer show high selectivity and sensitivity towards Cr 3+ . → Recognition Cr 3+ of dendrimer G2 is dominantly due to the ring-opening mechanism. → Sensing Cr 3+ of dendrimer G3 is dependent on simultaneous mechanisms of ring-opening and PET.

  6. Logical operations using phenyl ring

    Science.gov (United States)

    Patra, Moumita; Maiti, Santanu K.

    2018-02-01

    Exploiting the effects of quantum interference we put forward an idea of designing three primary logic gates, OR, AND and NOT, using a benzene molecule. Under a specific molecule-lead interface geometry, anti-resonant states appear which play the crucial role for AND and NOT operations, while for OR gate no such states are required. Our analysis leads to a possibility of designing logic gates using simple molecular structure which might be significant in the area of molecular electronics.

  7. Novel 2-phenyl-3-{4’-[N-(4”-aminophenylcarbamoyl]-phenyl}-quinazoline-4(3Hone-6-sulphonic acidbased mono azo reactive dyes

    Directory of Open Access Journals (Sweden)

    DIVYESH R. PATEL

    2011-02-01

    Full Text Available A series of new heterocyclic mono azo reactive dyes 7a–m were prepared by diazotization of 2-phenyl-3-{4’-[N-(4”-aminophenylcarbamoyl]-phenyl}-quinazoline-4(3H-one-6-sulphonic acid (3 and coupling with various cyanurated coupling components 6a–m and their dyeing performance on silk, wool and cotton fibres was assessed. These dyes were found to give a variety of colour shades with very good depth and levelness on the fibres. All the compounds were identified by conventional method (IR and 1H-NMR and elemental analyses. The percentage dye bath exhaustion on different fibres was reasonably good and acceptable. The dyed fibre showed moderate to very good fastness to light, washing and rubbing.

  8. 2-(Substituted phenyl-3,4-dihydroisoquinolin-2-iums as Novel Antifungal Lead Compounds: Biological Evaluation and Structure-Activity Relationships

    Directory of Open Access Journals (Sweden)

    Xin-Juan Yang

    2013-08-01

    Full Text Available The title compounds are a class of structurally simple analogues of quaternary benzo[c]phenanthridine alkaloids (QBAs. In order to develop novel QBA-like antifungal drugs, in this study, 24 of the title compounds with various substituents on the N-phenyl ring were evaluated for bioactivity against seven phytopathogenic fungi using the mycelial growth rate method and their SAR discussed. Almost all the compounds showed definite activities in vitro against each of the test fungi at 50 μg/mL and a broad antifungal spectrum. In most cases, the mono-halogenated compounds 2–12 exhibited excellent activities superior to the QBAs sanguinarine and chelerythrine. Compound 8 possessed the strongest activities on each of the fungi with EC50 values of 8.88–19.88 µg/mL and a significant concentration-dependent relationship. The SAR is as follows: the N-phenyl group is a high sensitive structural moiety for the activity and the characteristics and position of substituents intensively influence the activity. Generally, electron-withdrawing substituents remarkably enhance the activity while electron-donating substituents cause a decrease of the activity. In most cases, ortha- and para-halogenated isomers were more active than the corresponding m-halogenated isomers. Thus, the title compounds emerged as promising lead compounds for the development of novel biomimetic antifungal agrochemicals. Compounds 8 and 2 should have great potential as new broad spectrum antifungal agents for plant protection.

  9. The fluorescence behaviour of methyl and phenyl salicylate

    Science.gov (United States)

    Ford, D.; Thistlethwaite, P. J.; Woolfe, G. J.

    1980-01-01

    Fluorcsccnce lifetimes tor the 450 nm emission of methyl and phenyl salicylate in various solvents have been measured. Qucnching studics on the 340 nm fluorescence of these molecules point to the existence of three distinct ground state conformers.

  10. Functionalization of multi-walled carbon nanotubes by epoxide ring-opening polymerization

    International Nuclear Information System (INIS)

    Jin Fanlong; Rhee, Kyong Yop; Park, Soo-Jin

    2011-01-01

    In this study, covalent functionalization of carbon nanotubes (CNTs) was accomplished by surface-initiated epoxide ring-opening polymerization. FT-IR spectra showed that polyether and epoxide group covalently attached to the sidewalls of CNTs. TGA results indicated that the polyether was successfully grown from the CNT surface, with the final products having a polymer weight percentage of ca. 14–74 wt%. The O/C ratio of CNTs increased significantly from 5.1% to 29.8% after surface functionalization of CNTs. SEM and TEM images of functionalized CNTs exhibited that the tubes were enwrapped by polymer chains with thickness of several nanometers, forming core–shell structures with CNTs at the center. - Graphical abstract: Functionalized CNTs were enwrapped by polymer chains with thickness of several nanometers, forming core–shell structures with CNTs at the center. Highlights: ► CNTs were functionalized by epoxide ring-opening polymerization. ► Polyether and epoxide group covalently attached to the sidewalls of CNTs. ► Functionalized CNTs have a polymer weight percentage of ca. 14–74 wt%. ► Functionalized CNTs were enwrapped by polymer chains with thickness of several nanometers.

  11. 5-Bromo-2-[5-(4-nitrophenyl-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine

    Directory of Open Access Journals (Sweden)

    B. Kalluraya

    2009-12-01

    Full Text Available In the title pyrazoline compound, C19H14BrN5O2, the essentially planar pyrazoline and pyrimidine rings [maximum deviations = 0.013 (1 and 0.009 (1 Å, respectively] are inclined slightly to one another, making a dihedral angle of 10.81 (10°. The nitrobenzene unit is almost perpendicular to the attached pyrazoline ring, as indicated by the dihedral angle of 84.61 (8°. In the crystal structure, intermolecular C—H...N contacts link the molecules into dimers in an antiparallel manner. These dimers are further linked into one-dimensional chains along the b axis via C—H...O contacts. The crystal structure is consolidated by three different intermolecular π–π interactions [range of centroid–centroid distances = 3.5160 (11–3.6912 (11 Å].

  12. Electron transport in a double quantum ring: Evidence of an AND gate

    International Nuclear Information System (INIS)

    Maiti, Santanu K.

    2009-01-01

    We explore AND gate response in a double quantum ring where each ring is threaded by a magnetic flux φ. The double quantum ring is attached symmetrically to two semi-infinite one-dimensional metallic electrodes and two gate voltages, namely, V a and V b , are applied, respectively, in the lower arms of the two rings which are treated as two inputs of the AND gate. The system is described in the tight-binding framework and the calculations are done using the Green's function formalism. Here we numerically compute the conductance-energy and current-voltage characteristics as functions of the ring-to-electrode coupling strengths, magnetic flux and gate voltages. Our study suggests that, for a typical value of the magnetic flux φ=φ 0 /2 (φ 0 =ch/e, the elementary flux-quantum) a high output current (1) (in the logical sense) appears only if both the two inputs to the gate are high (1), while if neither or only one input to the gate is high (1), a low output current (0) results. It clearly demonstrates the AND gate behavior and this aspect may be utilized in designing an electronic logic gate.

  13. A unique method of retaining orbital prosthesis with attachment systems - a clinical report.

    Science.gov (United States)

    Guttal, Satyabodh S; Akash, N R; Prithviraj, D R; Lekha, K

    2014-06-01

    Diminution of the orbital contents post-surgical removal of a malignant tumor can have a severe psychological impact on the patient in terms of function and esthetics. Therefore, esthetic remedy should be planned subsequently, since tumor obliteration precedes cosmetic concern. A convenient option for successful rehabilitation in such patients is a simple, user-friendly, removable orbital prosthesis. Retention of the prosthesis is one of the key factors for the successful rehabilitation. Spectacle frame, conformers, adhesives, osseointegrated implants, magnets or buttons have been used to impart retention to the prosthesis. The use of semi precision attachments in maxillofacial prostheses is limited to the osseointegrated prostheses. This case report describes a conventional spectacle frame technique, to retain the silicone orbital prosthesis using two different types of stud attachments viz., dalla bona and O-ring attachment systems. Copyright © 2013 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

  14. 40 CFR 721.2577 - Copper complex of (substituted sulfonaphthyl azo substituted phenyl) disulfonaphthyl azo, amine...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Copper complex of (substituted... Copper complex of (substituted sulfonaphthyl azo substituted phenyl) disulfonaphthyl azo, amine salt... substances identified generically as copper complex of (substituted sulfonaphthyl azo substituted phenyl...

  15. Quantum mechanics study of repulsive π-π interaction and flexibility of phenyl moiety in the iron azodioxide complex

    Science.gov (United States)

    Liu, Yuemin; Liu, Yucheng; Murru, Siva; Tzeng, Nianfeng; Srivastava, Radhey S.

    2015-10-01

    In this study, repulsive π-π interactions within iron azodioxide complex Fe[Ph(O)NN(O)Ph]3 were quantum mechanically characterized using DFT, MP2 and CCSD(T) methods. Flexibility of six phenyl moieties in this complex structure was also investigated by structural optimization approach using the DFT methods. Our MP2 and CCSD(T) calculations of the closest pair provided interaction energy of 6.62 and 8.29 kcal/mol respectively, which indicate a strongest repulsion among these intra-molecular π-π interactions. Interaction energy of the particular π-π pair calculated from 24 hybrid DFT methods ranges from 4.56 kcal/mol from BHandH method to 15.15 kcal/mol from O3LYP method. Cares should be exercised when interpreting interaction energy and geometry optimization from DFT simulation of systems containing π-π interaction. Comparison between the DFT results and the benchmark CCSD(T) results shows that the DFT calculations of π-π interaction are reasonable but still need to be interpreted with caution. Furthermore, MP2 interaction energy of -44.69 kcal/mol between two substituted π systems/phenyl rings Ph(O)N-moieties suggested that above energetically unfavorable π-π interaction can be compensated by the covalent bond N-N in a single ligand Ph(O)NN(O)Ph, which allows for a reasonable stability across the complex molecules. Optimizations of the entire complex molecule using B3LYP and M06HF methods produced a large variation of π-π distances and orientations, which implied that the complex molecule may perform catalysis at room temperature.

  16. A study on the method for estimating the life time of O-rings made of NBR used in sealing air operating cylinders

    International Nuclear Information System (INIS)

    Fujii, Yuzo; Mitsuta, Yasumasa

    2003-01-01

    At nuclear power plants, a large number of O-rings made of rubber are attached to safety related machines and apparatus for sealing two metallic components. O-rings degrade during the long term exposure in environmental conditions in use, and finally lose the requested functions. Therefore it is important to exchange them in a proper period based on the precise life time estimation. This study aimed at to investigate the method for estimating the life time of O-rings made of NBR (acrylonitrile butadiene rubber) attached to the air cylinders which drive the dampers of ventilation systems in nuclear power plants. It has been conducted as follows: (1) After confirming that the main cause of degradation of O-rings is thermo-oxidation reaction, thermally accelerated aging tests were carried out for O-rings with three different temperatures. (2) It was certified that the elongation values of O-rings obtained by the tests could be fitted by the Arrhenius rule, and then the life time of O-rings was estimated using the Arrhenius rule. (3) In order to validate the reliability of this estimation, we measured the elongation values of the O-rings which had been actually used at nuclear power plants, and compared them to the predicted elongation values obtained by the above estimation. The average and standard deviation of the values which is calculated by the equation {(measured value-predicted value)/ predicted value} are 11% and 8%, respectively and there are small errors between the measured value and the predicted values. As a result we can judge that good estimation of life time of O-rings can be done by the above method. (author)

  17. 2-(4-Methylpiperazin-1-yl-4-phenyl-6-(thiophen-2-yl-pyridine-3-carbonitrile

    Directory of Open Access Journals (Sweden)

    Nawal Mishriky

    2013-02-01

    Full Text Available 2-(4-Methylpiperazin-1-yl-4-phenyl-6-(thiophen-2-yl-pyridine-3-carbonitrile (4 was synthesized via nucleophilic substitution reaction of 1-methylpiperazine with 2-bromo analogue 3. The latter was obtained through bromination (Br2/AcOH of 2-[3-oxo-1-phenyl-3-(thiophen-2-ylpropyl]malononitrile (2.

  18. Cryptosporidium meleagridis in an Indian ring-necked parrot (Psittacula krameri).

    Science.gov (United States)

    Morgan, U M; Xiao, L; Limor, J; Gelis, S; Raidal, S R; Fayer, R; Lal, A; Elliot, A; Thompson, R C

    2000-03-01

    To perform a morphological and genetic characterisation of a Cryptosporidium infection in an Indian ring-necked parrot (Psittacula krameri) and to compare this with C meleagridis from a turkey. Tissue and intestinal sections from an Indian ring-necked parrot were examined microscopically for Cryptosporidium. The organism was also purified from the crop and intestine, the DNA extracted and a portion of the 18S rDNA gene amplified, sequenced and compared with sequence and biological information obtained for C meleagridis from a turkey as well as sequence information for other species of Cryptosporidium. Morphological examination of tissue sections from an Indian ring-necked parrot revealed large numbers of Cryptosporidium oocysts attached to the apical border of enterocytes lining the intestinal tract. Purified Cryptosporidium oocysts measured about 5.1 x 4.5 microns, which conformed morphologically to C meleagridis. The sequence obtained from this isolate was identical to sequence information obtained from a C meleagridis isolate from a turkey. Cryptosporidium meleagridis was detected in an Indian ring-necked parrot using morphological and molecular methods. This is the first time that this species of Cryptosporidium has been reported in a non-galliform host and extends the known host range of C meleagridis.

  19. An evaluation of the performance and mechanistic action of the costabiliser N-phenyl-3-acetyl pyrrolidine-2,4-dione and its derivatives in poly(vinyl chloride)

    International Nuclear Information System (INIS)

    Chaudhry, H.I.

    1999-10-01

    N-phenyl-3-acetyl pyrrolidine-2,4-dione (F6) and its derivatives (F6c and F6d) have been investigated as costabilisers for PVC at processing temperatures, along with the commercial costabilisers: dehydroacetic acid (DHA) and Rhodiostab-83 (R83). Spectroscopic (fluorescence, Fourier-transform infrared and nuclear magnetic resonance) studies on PVC itself, and model compounds of PVC impurities (e.g. 4-chloro-2-hexene) have shown two distinct modes of action: in which a metal complex between the costabiliser and a metal soap stabiliser (zinc stearate and calcium stearate is the active entity, one in which costabiliser action is facilitated by release of zinc chloride. F6 was shown to substitute for allylic chloride by a C-alkylation reaction so inhibiting polyene formation and giving very good initial colour. It was demonstrated that F6 formed a complex with the zinc stearate at room temperature to give a chelate in which the zinc ion is tetracoordinated. Because the costabiliser is able to co-ordinate readily to zinc stearate, this leads to good initial colour, but a more rapid evolution of HCl ('short-term' costabilisation). When the -C=O substituent in the 3-position was replaced by a '-C=N-alkyl' (F6d), or a '-C=N-phenyl' (F6c) group, the behaviour was changed markedly. FTIR and HCl evolution showed that F6d was unstable at 180 deg. C and reacted with HCl evolved from the degraded PVC, decomposing into a basic gas and a structure similar to F6. F6d being more basic formed a complex with the Lewis acid ZnCI 2 instead of zinc stearate. F6c did not interact with the ZnCl 2 or ZnSt 2 , despite the fact that it has an extra nitrogen atom. The reason for this is that the π orbital system of the N-substituted phenyl ring in the 3-position in the pyrrolidine ring is conjugated with the C=N double bond. DHA also interacted with the zinc stearate, but this interaction was significant only at higher temperatures, i.e. after heating to processing temperatures. The

  20. Ring Theory

    CERN Document Server

    Jara, Pascual; Torrecillas, Blas

    1988-01-01

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

  1. Imaging phase slip dynamics in micron-size superconducting rings

    Science.gov (United States)

    Polshyn, Hryhoriy; Naibert, Tyler R.; Budakian, Raffi

    2018-05-01

    We present a scanning probe technique for measuring the dynamics of individual fluxoid transitions in multiply connected superconducting structures. In these measurements, a small magnetic particle attached to the tip of a silicon cantilever is scanned over a micron-size superconducting ring fabricated from a thin aluminum film. We find that near the superconducting transition temperature of the aluminum, the dissipation and frequency of the cantilever changes significantly at particular locations where the tip-induced magnetic flux penetrating the ring causes the two lowest-energy fluxoid states to become nearly degenerate. In this regime, we show that changes in the cantilever frequency and dissipation are well-described by a stochastic resonance (SR) process, wherein small oscillations of the cantilever in the presence of thermally activated phase slips (TAPS) in the ring give rise to a dynamical force that modifies the mechanical properties of the cantilever. Using the SR model, we calculate the average fluctuation rate of the TAPS as a function of temperature over a 32-dB range in frequency, and we compare it to the Langer-Ambegaokar-McCumber-Halperin theory for TAPS in one-dimensional superconducting structures.

  2. Paternal Attachment, Parenting Beliefs and Children's Attachment

    Science.gov (United States)

    Howard, Kimberly S.

    2010-01-01

    Relationships between fathers' romantic attachment style, parenting beliefs and father-child attachment security and dependence were examined in a diverse sample of 72 fathers of young children. Paternal romantic attachment style was coded based on fathers' endorsement of a particular style represented in the Hazan and Shaver Three-Category…

  3. Finger muscle attachments for an OpenSim upper-extremity model.

    Directory of Open Access Journals (Sweden)

    Jong Hwa Lee

    Full Text Available We determined muscle attachment points for the index, middle, ring and little fingers in an OpenSim upper-extremity model. Attachment points were selected to match both experimentally measured locations and mechanical function (moment arms. Although experimental measurements of finger muscle attachments have been made, models differ from specimens in many respects such as bone segment ratio, joint kinematics and coordinate system. Likewise, moment arms are not available for all intrinsic finger muscles. Therefore, it was necessary to scale and translate muscle attachments from one experimental or model environment to another while preserving mechanical function. We used a two-step process. First, we estimated muscle function by calculating moment arms for all intrinsic and extrinsic muscles using the partial velocity method. Second, optimization using Simulated Annealing and Hooke-Jeeves algorithms found muscle-tendon paths that minimized root mean square (RMS differences between experimental and modeled moment arms. The partial velocity method resulted in variance accounted for (VAF between measured and calculated moment arms of 75.5% on average (range from 48.5% to 99.5% for intrinsic and extrinsic index finger muscles where measured data were available. RMS error between experimental and optimized values was within one standard deviation (S.D of measured moment arm (mean RMS error = 1.5 mm < measured S.D = 2.5 mm. Validation of both steps of the technique allowed for estimation of muscle attachment points for muscles whose moment arms have not been measured. Differences between modeled and experimentally measured muscle attachments, averaged over all finger joints, were less than 4.9 mm (within 7.1% of the average length of the muscle-tendon paths. The resulting non-proprietary musculoskeletal model of the human fingers could be useful for many applications, including better understanding of complex multi-touch and gestural movements.

  4. Study on the Reactivity of Amino Acid Chemosensor, NPFNP, with Ethanol: Structural Elucidation through Single Crystal XRD and DFT Calculations

    Directory of Open Access Journals (Sweden)

    Beena Varghese

    2017-01-01

    Full Text Available A novel ethoxy derivative of an amino acid chemosensor, 3-naphthyl-1-phenyl-5-(2ʹ-fluoro-5ʹ-nitrophenyl-2-pyrazoline (NPFNP, has been synthesized and characterized by different spectroscopic methods.  A single crystal of the ethoxy derivative, 3-naphthyl-1-phenyl-5-(2ʹ-ethoxy-5ʹ-nitrophenyl-2-pyrazoline NPENP, has been obtained and characterized.  The structure holds interest as it carries biologically active pyrazoline as a central ring attaching to electron donating and withdrawing substituents. The major motivation for this work was to gain detailed insight into the structural parameters of this compound for investigating the influence of crystal packing and geometrical dimensions on optical properties. Time-dependent DFT calculations have been employed for comparing the XRD data with theoretical parameters. The results show that the DFT method at B3LYP/6-31G level can well reproduce the structure of the title compound.

  5. Excited State Spectra and Dynamics of Phenyl-Substituted Butadienes

    DEFF Research Database (Denmark)

    Wallace-Williams, Stacie E.; Schwartz, Benjamin J.; Møller, Søren

    1994-01-01

    indicate that phenyl torsional motion is not important to the excited-state dynamics and reveal alternative excited-state reaction pathways. The results demonstrate how molecular systems that are structually similar can exhibit different electronic properties and excited-state dynamics....

  6. Noval 1-substituted-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazole derivatives: Synthesis and pharmacological activity

    Directory of Open Access Journals (Sweden)

    Sabir Hussain

    2015-05-01

    Full Text Available Several-1-carbothioamide-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 2a–d, 1-(pyridine-4-ylcarbonyl-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 3a–d, 1-(5-chloro-6-fluoro-1,3-benzothiazole-2-ylthiocarbamoyl-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 4a–d and 1-[(1,2,4-triazole-4-yl carbothioamide]-3,5-dimethyl-4-[(substituted phenyl diazenyl] pyrazoles 5a–d were synthesized. The structures of the newly synthesized compounds were supported by IR, 1H NMR and mass spectral data. These compounds were investigated for their, anti-inflammatory, analgesic, ulcerogenic, lipid peroxidation, antibacterial and antifungal activities. Some of the synthesized compounds showed potent anti-inflammatory activity along with minimal ulcerogenic effect and lipid peroxidation, compared to ibuprofen and flurbiprofen. Some of the tested compounds also showed moderate antimicrobial activity against tested bacterial and fungal strains.

  7. 2-(1H-Benzotriazol-1-yl-1-phenylethanol

    Directory of Open Access Journals (Sweden)

    Özden Özel Güven

    2010-04-01

    Full Text Available In the title compound, C14H13N3O, the benzotriazole ring is oriented at a dihedral angle of 13.43 (4° with respect to the phenyl ring. In the crystal structure, intermolecular O—H...N hydrogen bonds link the molecules into chains along the b axis. Aromatic π–π contacts between benzene rings and between triazole and benzene rings [centroid–centroid distances = 3.8133 (8 and 3.7810 (8 Å, respectively], as well as a weak C—H...π interaction involving the phenyl ring, are also observed.

  8. Impact of Maternal Attachment Style on Mother to Infant Attachment

    Directory of Open Access Journals (Sweden)

    Moghaddam Hoseini V

    2011-08-01

    Full Text Available Background and Objectives: Maternal attachment has the potential to affect both child development and parenting. As such, mother-infant attachment has been considered an important topic in recent years. The aim of this study was to determine the relationship between maternal adult attachment style, the maternal obstetric and demographic characteristics and mother-infant attachment.Methods: In this descriptive-correlational study, 102 women who had referred to health centers in Mashhad in 2008 and who had inclusion criteriawere selected using stratified cluster sampling. After interview about obstetric and demographic characteristics, they were asked to complete the "Revised Adult Attachment Scale" and "Mother to Infant Attachment Inventory" for assessment of maternal attachment style and mother-infant attachment 4-5 weeks after delivery. Data were analyzed by Pearson Correlation, Kruskal-wallis and Mann-whitney statistical tests.Results: In this study, themean of mother-infant attachment was found to be 97.486.12 and the mean of secure adult attachment was higher than that of other styles (16.893.97. Although, there were negative significant relationship between maternal avoidant style and mother-infant attachment (p=0.037,r=-0/20, there were no relationship between maternal age and education, parity, type of delivery and mother-infant attachment.Conclusion: The results of this research show that maternal attachment style is one of the factors of mother -infant attachment.

  9. Report of the eRHIC Ring-Ring Working Group

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-13

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

  10. Near Infrared Spectroscopic Identification of Alkyl Aromatic Esters and Phenyl Ketones

    Science.gov (United States)

    Nelyubov, D. V.; Vazhenin, D. A.; Kudriavtsev, A. A.; Buzolina, A. Yu.

    2018-03-01

    Bands characterizing the content of carbon atoms in alkyl (7177-7205 cm-1) and phenyl structural fragments (9175-9192 cm-1) in organic molecules were revealed by studying the near infrared spectra of such compounds. The optical density at the maxima of these absorption bands was shown to depend strongly on the fraction of carbon atoms in the corresponding fragments. The developed models proved to be adequate for determining the fraction of carbon atoms in alkyl aromatic esters and phenyl ketones. The feasibility of modeling the molecular structure of alkyl aromatic esters using regression models was demonstrated for the product of the condensation of oleic acid and benzyl alcohol.

  11. Surface-initiated ring-opening metathesis polymerization (SI-ROMP) to attach a tethered organic corona onto CdSe/ZnS core/shell quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Vatansever, Fatma, E-mail: vatansever.fatma@mgh.harvard.edu; Hamblin, Michael R., E-mail: hamblin@helix.mgh.harvard.edu [Massachusetts General Hospital, Wellman Center for Photomedicine (United States)

    2016-10-15

    Core–shell CdSe/ZnS quantum dots (QDs) are useful as tunable photostable fluorophores for multiple applications in industry, biology, and medicine. However, to achieve the optimum optical properties, the surface of the QDs must be passivated to remove charged sites that might bind extraneous substances and allow aggregation. Here we describe a method of growing an organic polymer corona onto the QD surface using the bottom-up approach of surface-initiated ring-opening metathesis polymerization (SI-ROMP) with Grubbs catalyst. CdSe/ZnS QDs were first coated with mercaptopropionic acid by displacing the original tri-octylphosphine oxide layer, and then reacted with 7-octenyl dimethyl chlorosilane. The resulting octenyl double bonds allowed the attachment of ruthenium alkylidene groups as a catalyst. A subsequent metathesis reaction with strained bicyclic monomers (norbornene-dicarbonyl chloride (NDC), and a mixture of NDC and norbornenylethylisobutyl-polyhedral oligomeric silsesquioxane (norbornoPOSS)) allowed the construction of tethered organic homo-polymer or co-polymer layers onto the QD. Compounds were characterized by FT-IR, 1H-NMR, X-ray photoelectron spectroscopy, differential scanning calorimetry, and transmission electron microscopy. Atomic force microscopy showed that the coated QDs were separate and non-aggregated with a range of diameter of 48–53 nm.

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

    International Nuclear Information System (INIS)

    Elhadi, S. A.

    2004-09-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-09-01

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

  14. Synthesis of 14C-labeled 3-{[1-ethoxycarbonyl-3-phenyl-(1S)-propyl]amino}-2,3,4,5-tetrahydro-2-oxo -1H-1-(3S)-benzazepine-1-acetic acid hydrochloride ([14C]CGS 14824A)

    International Nuclear Information System (INIS)

    Chaudhuri, N.K.; Patera, R.; Markus, B.; Mingsang Sung

    1987-01-01

    The title compound, CGS 14824A, was synthesized with a 14 C-label in the azepine ring in 14 steps starting with 1-bromo-3-phenylpropane (1) and K 14 CN in an overall yield of 1.31%. The reaction of 1 with K 14 CN yielded the nitrile 2 which upon hydrolysis followed by ring closure gave α-tetralone-1- 14 C (4). Bromination of 4 followed by oxime formation gave the bromo oxime 5, which upon Beckmann rearrangement by acid treatment yielded the ring expansion product 6. The bromine atom of 6 was then replaced by an azido group, and an acetic ester side chain was introduced at the nitrogen atom. Catalytic reduction of the azido compound 8 gave a mixture of epimeric amino esters which was resolved by salt formation with L-tartaric acid. The negatively rotating isomer was then reacted with 4-phenyl-2-oxo-butanoate in presence of sodium cyanoborohydride to give a mixture of diastereoisomers which were separated as their benzyl esters by chromatography. The major isomer was then converted to labeled CGS 14824A. (author)

  15. (Z-3-Benzyl-2-[(2-phenylcyclohex-2-enylimino]-1,3-thiazolidin-4-one

    Directory of Open Access Journals (Sweden)

    Chin Wei Ooi

    2012-08-01

    Full Text Available The title compound, C22H22N2OS, exists in a Z configuration with respect to the N=C bond. The cyclohexene ring adopts a distorted sofa conformation. The thiazolidine ring is essentially planar, with a maximum deviation of 0.030 (2 Å, and forms dihedral angles of 76.66 (6 and 74.55 (6° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 71.55 (7°. In the crystal, a C—H...π interaction is observed.

  16. Effect of an internal target on the beam behaviour in a storage ring

    International Nuclear Information System (INIS)

    Diehl, N.

    1988-04-01

    For the study of the effects of an internal target on the beam behaviour in a storage ring a Monte Carlo simulation program was developed. Special importance was attached to the ranges of validity of the used models. The dominating effects are the Coulomb scattering of the projectiles on the target nuclei, which lead to an angular dispersion, and the collisions of the projectiles on the electrons of the target atoms which cause an energy loss. The target effects are regarded in the simulation program. The simulation calculations for the storage ring COSY give cause for the hope that experiments with internal targets because of high luminosity represent an interesting alternative in spite of thin targets. (orig./HSI) [de

  17. Positron Lifetime Study of the Transition from Glassy to Normal Liquid State for Two Phenyl Ethers

    DEFF Research Database (Denmark)

    Pethrick, R. A.; Jacobsen, F. M.; Mogensen, O. E.

    1980-01-01

    Positron lifetime measurements are reported as a function of temperature for bis[m-(m-phenoxyphenoxy)phenyl] ether and m-phenoxyphenyl-m-(m-phenoxyphenoxy)phenyl ether. The decay curves were analysed in terms of three lifetime components; two short lifetimes of typically 200 and 500 ps associated...

  18. A theoretical study of the relaxation of a phenyl group chemisorbed to an RDX freestanding thin film

    Energy Technology Data Exchange (ETDEWEB)

    Pereverzev, Andrey, E-mail: pereverzeva@missouri.edu; Sewell, Thomas D., E-mail: sewellt@missouri.edu [Department of Chemistry, University of Missouri-Columbia, Columbia, Missouri 65211-7600 (United States)

    2016-08-07

    Energy relaxation from an excited phenyl group chemisorbed to the surface of a crystalline thin film of α-1,3,5-trinitro-1,3,5-triazacyclohexane (α-RDX) at 298 K and 1 atm is simulated using molecular dynamics. Two schemes are used to excite the phenyl group. In the first scheme, the excitation energy is added instantaneously as kinetic energy by rescaling momenta of the 11 atoms in the phenyl group. In the second scheme, the phenyl group is equilibrated at a higher temperature in the presence of static RDX geometries representative of the 298 K thin film. An analytical model based on ballistic phonon transport that requires only the harmonic part of the total Hamiltonian and includes no adjustable parameters is shown to predict, essentially quantitatively, the short-time dynamics of the kinetic energy relaxation (∼200 fs). The dynamics of the phenyl group for times longer than about 6 ps follows exponential decay and agrees qualitatively with the dynamics described by a master equation. Long-time heat propagation within the bulk of the crystal film is consistent with the heat equation.

  19. Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding

    Science.gov (United States)

    Verdonk, Marcel L.; Boks, Gertjan J.; Kooijman, Huub; Kanters, Jan A.; Kroon, Jan

    1993-04-01

    Recently, new evidence was found for the involvement of charged nitrogen-aromatic interactions in ligand-receptor binding. In this study we report two favourable orientations of a phenyl ring with respect to a R-N+(CH3)3 group, based on crystal structure statistics from the Cambridge Structural Database. In the first orientation, the phenyl ring is situated in between the substituents at about 4.5 Å from the nitrogen atom, and the ring is approximately oriented on the sphere around the nitrogen atom. In the second orientation, the phenyl ring is situated in the same direction as one of the N-C bonds at about 6.0 Å from the nitrogen atom, and the ring is tilted with respect to the sphere around the nitrogen atom. The same two orientations were also found in the crystal structures of three ligand-receptor complexes, which implies that these orientations probably play a major role in molecular recognition mechanisms.

  20. Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors.

    Science.gov (United States)

    Hameed, Abdul; Khan, Khalid Mohammed; Zehra, Syeda Tazeen; Ahmed, Ramasa; Shafiq, Zahid; Bakht, Syeda Mahwish; Yaqub, Muhammad; Hussain, Mazhar; de la Vega de León, Antonio; Furtmann, Norbert; Bajorath, Jürgen; Shad, Hazoor Ahmad; Tahir, Muhammad Nawaz; Iqbal, Jamshed

    2015-08-01

    Urease is an important enzyme which breaks urea into ammonia and carbon dioxide during metabolic processes. However, an elevated activity of urease causes various complications of clinical importance. The inhibition of urease activity with small molecules as inhibitors is an effective strategy for therapeutic intervention. Herein, we have synthesized a series of 19 benzofurane linked N-phenyl semithiocarbazones (3a-3s). All the compounds were screened for enzyme inhibitor activity against Jack bean urease. The synthesized N-phenyl thiosemicarbazones had varying activity levels with IC50 values between 0.077 ± 0.001 and 24.04 ± 0.14 μM compared to standard inhibitor, thiourea (IC50 = 21 ± 0.11 μM). The activities of these compounds may be due to their close resemblance of thiourea. A docking study with Jack bean urease (PDB ID: 4H9M) revealed possible binding modes of N-phenyl thiosemicarbazones. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Attachment 1 to the safety analysis report for the Type B(U) AL-SX (H1616) reservoir packages

    International Nuclear Information System (INIS)

    Tipton, D.G.

    1998-06-01

    This attachment contains specifications for radioactive waste containment vessel materials, fabrication, and acceptance test procedures. Specifications are included for the vessel itself, the overpack, insert cover, O-ring seals, thermal barrier material, cable seal, adhesives, and welding of carbon, low-ally, and corrosion resistant steels. Fabrication drawings and reference materials are included

  2. Impact of Maternal Attachment Style on Mother to Infant Attachment

    Directory of Open Access Journals (Sweden)

    V Moghaddam Hoseini

    2012-05-01

    Full Text Available

    Background and Objectives: Maternal attachment has the potential to affect both child development and parenting. As such, mother-infant attachment has been considered an important topic in recent years. The aim of this study was to determine the relationship between maternal adult attachment style, the maternal obstetric and demographic characteristics and mother-infant attachment.

     

    Methods: In this descriptive-correlational study, 102 women who had referred to health centers in Mashhad in 2008 and who had inclusion criteriawere selected using stratified cluster sampling. After interview about obstetric and demographic characteristics, they were asked to complete the "Revised Adult Attachment Scale" and "Mother to Infant Attachment Inventory" for assessment of maternal attachment style and mother-infant attachment 4-5 weeks after delivery. Data were analyzed by Pearson Correlation, Kruskal-wallis and Mann-whitney statistical tests.

     

    Results: In this study, themean of mother-infant attachment was found to be 97.48±6.12 and the mean of secure adult attachment was higher than that of other styles (16.89±3.97. Although, there were negative significant relationship between maternal avoidant style and mother-infant attachment (p=0.037,r=-0/20, there were no relationship between maternal age and education, parity, type of delivery and mother-infant attachment.

     

    Conclusion: The results of this research show that maternal attachment style is one of the factors of mother -infant attachment.

  3. 1-[2-(4-Bromobenzyloxy-2-phenylethyl]-1H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Tuncer Hökelek

    2008-10-01

    Full Text Available In the molecule of the title compound, C17H16BrN3O, the triazole ring is oriented at dihedral angles of 6.14 (9° and 82.08 (9°, respectively, with respect to the phenyl and bromobenzene rings. The dihedral angle between the bromobenzene and phenyl rings is 87.28 (7°. The intramolecular C—H...O hydrogen bond results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 0.13 (6° with respect to the bromobenzene ring. There is an intermolecular C—H...π contact between a methylene group and the bromobenzene ring.

  4. Synthesis, characterization, antimicrobial and cytotoxic evaluation of a bidentate schiff base ligand: (5-chloro-2-((4-nitrobenzylidene)amino)phenyl)(phenyl)methanone and its transition metal complexes

    International Nuclear Information System (INIS)

    Anis, I.; Noreen, Z.

    2013-01-01

    A Schiff base ligand (SBL): ((5-chloro-2-)(4-nitrobenzylidene) amino) phenyl)(phenyl) methanone,, was synthesized from the reaction of 4-nitrobenzaldehyde and 2-amino-5-chlorobeznzophenone followed by complexation with transition metal (II) ions (1-5). Their structures were elucidated on the basis of infrared, 1H-NMR, FAB-MS spectral, elemental analyses and molar conductance data. The octahedral geometry for complexes (1-4) and square planar geometry for complex (5) was proposed on the basis of electronic and magnetic moment data. The non-electrolytic nature of the complexes (1-5) was suggested from the conductivity data. The complexes (1-5) showed higher in vitro antimicrobial activity and in vivo lethality to shrimp larvae than the parent Schiff base ligand. (author)

  5. ASSOCIATIVE RINGS SOLVED AS LIE RINGS

    Directory of Open Access Journals (Sweden)

    M. B. Smirnov

    2011-01-01

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

  6. Electron attachment cross sections obtained from electron attachment spectroscopy

    International Nuclear Information System (INIS)

    Popp, P.; Baumbach, J.I.; Leonhardt, J.W.; Mothes, S.

    1988-01-01

    Electron capture detectors have a high sensitivity for substances with high thermal electron attachment cross sections. The electron attachment spectroscopy makes it possible to change the mean electron energy in such a way that the maximum for dissociative electron attachment is reached. Thus, best operation modes of the detection system as well as significant dependencies of electron attachment coefficients are available. Cross sections for electron attachment as a function of the electron energy are obtained with the knowledge of electron energy distribution functions from Boltzmann equation analysis by a special computer code. A disadvantage of this electron attachment spectroscopy is the superposition of space charge effects due to the decrease of the electron drift velocity with increasing mean electron energy. These influences are discussed. (author)

  7. Red Emitting Phenyl-Polysiloxane Based Scintillators for Neutron Detection

    International Nuclear Information System (INIS)

    Dalla Palma, Matteo; Quaranta, Alberto; Marchi, Tommaso; Gramegna, Fabiana; Cinausero, Marco; Carturan, Sara; Collazuol, Gianmaria

    2013-06-01

    In this work, the performances of new red emitting phenyl- substituted polysiloxane based scintillators are described. Three dyes were dispersed in a phenyl-polysiloxane matrix in order to shift the scintillation wavelength towards the red part of the visible spectrum. PPO, Lumogen Violet (BASF) and Lumogen Red (BASF) were mixed to the starting resins with different wt. % and the analysis of the different samples was performed by means of fluorescence measurements. The scintillation yield to alpha particles at the different dye ratios was monitored by detecting either the full spectrum or the red part of the emitted light. Finally, thin red scintillators with selected compositions were coupled to Avalanche Photodiode sensors, which are usually characterized by higher efficiency in the red part of the spectrum. An increased light output of about 17% has been obtained comparing the red scintillators to standard blue emitting systems. Preliminary results on the detection of fast neutrons with the APD-red scintillator system are also presented. (authors)

  8. (R-[(R-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonylphenyl]methyl acetate

    Directory of Open Access Journals (Sweden)

    Feng Li

    2014-05-01

    Full Text Available The structure of the title compound, C20H21NO6S, is of interest with respect to its antibacterial properties. The oxazolidine ring makes dihedral angles of 79.63 (14 and 56.16 (12° with the phenyl and benzene rings, respectively, while the phenyl and benzene rings make a dihedral angle of 64.37 (13°. In the crystal, non-classical C—H...O hydrogen bonds link adjacent molecules along the c axis.

  9. Tandem organic light-emitting diodes with KBH4 doped 9,10-bis(3-(pyridin-3-yl)phenyl) anthracene connected to the charge generation layer.

    Science.gov (United States)

    Duan, Lian; Tsuboi, Taiju; Qiu, Yong; Li, Yanrui; Zhang, Guohui

    2012-06-18

    Tandem organic light emitting diodes (OLEDs) are ideal for lighting applications due to their low working current density at high brightness. In this work, we have studied an efficient electron transporting layer of KBH(4) doped 9,10-bis(3-(pyridin-3-yl)phenyl)anthracene (DPyPA) which is located adjacent to charge generation layer of MoO(3)/NPB. The excellent transporting property of the DPyPA:KBH(4) layer helps the tandem OLED to achieve a lower voltage than the tandem device with the widely used tris-(8-hydroxyquinoline)aluminum:Li. For the tandem white OLED with a fluorescent blue unit and a phosphorescent yellow unit, we've achieved a high current efficiency of 75 cd/A, which can be further improved to 120 cd/A by attaching a diffuser layer.

  10. Synthesis and characterization of tris[butyl-(1-methyl-3-phenyl-propyl)-dithiocarbamato]-cobalt(III) seskvitoluene

    OpenAIRE

    TIBOR SABO; ISMET M. HODZIC; SRECKO R. TRIFUNOVIC; VESNA M. DJINOVIC; GORAN N. KALUDJEROVIC

    2002-01-01

    A new bidentate ligand butyl-(1-methyl-3-phenyl-propyl)-dithiocarbamate (bmFpdtc) was prepared, as the sodium salt. In the reaction of hexaaminecobalt(III) chloride with NabmFpdtc, the corresponding tris[butyl-(1-methyl-3-phenyl-propyl)-dithiocarbamato]cobalt(III), [Co(bmFpdtc)3] complex was prepared. The complex was characterized by elemental analysis, infrared, electronic absorption, 1H and 13C-NMR spectroscopy.

  11. Attachment and Psychopathology

    Directory of Open Access Journals (Sweden)

    Mehmet Fatih Ustundag

    2011-06-01

    Full Text Available The type of attachment defined in the early stages of life and thought to be continuous, is a phenomenon that shapes the pattern of how a person makes contact with others. The clinical appearance of every type of attachment is different and each one has prospective and retrospective phenomenological reflections. In all stages of life and in close relationships, it can be observed if a person gets in close contact with someone else and if this relation bears supportive and protective qualities. According to attachment theorists, once it is defined as safe or unsafe during nursing period, it shows little change. Starting from Bowlby’s work, unsafe attachment type is considered as the determining factor of psychopathology in the later periods of life, while safe attachment is considered as in relation with healthy processes. The nature’s original model is safe attachment. Anxious/indecisive attachment, an unsafe attachment type, is associated with anxiety disorders and depressive disorder, while avoidant attachment is associated with behavior disorder and other extroverted pathologies. Disorganized/disoriented attachment is considered to be together with dissociative disorder. The aim of this paper is to review attachment theory and the relation between attachment and psychopathology.

  12. Synthesis and In Vitro Antiproliferative Activity of Novel Phenyl Ring-Substituted 5-Alkyl-12(H-quino[3,4-b][1,4]benzothiazine Derivatives

    Directory of Open Access Journals (Sweden)

    Andrzej Zięba

    2016-11-01

    Full Text Available A novel series of tetracyclic quinobenzothiazine derivatives was synthetized. Compounds containing a substituent (hydroxyl, methyl, phenyl, piperidyl, or piperazinyl in positions 9 and 11 were obtained by cyclization of suitable 4-aminoquinolinium-3-thiolates. Quinobenzothiazine 10-O-substituted derivatives were obtained by alkylating the hydroxyl group in position 10 of the parent (quinobenzothiazine system. Antiproliferative activity of the synthesized compounds was studied using cultured neoplastic cells (MDA-MB-231, SNB-19, and C-32 cell lines. Four selected compounds were investigated in more detail for cytotoxicity and antiproliferative effect. Transcriptional activity of genes regulating cell cycle (TP53, apoptosis (BAX, BCL-2, as well as proliferation (H3 were assessed. Finally, the ability of the selected compounds to bind DNA was checked in the presence of ethidium bromide.

  13. 3-(4-Fluorobenzoyl-4-(4-fluorophenyl-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile

    Directory of Open Access Journals (Sweden)

    B. Narayana

    2014-06-01

    Full Text Available In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10 and 34.31 (10°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl group are 57.51 (9 and 85.02 (10°, respectively. An intramolecular O—H...O hydrogen bond generates an S(6 ring motif. In the crystal, molecules are linked via pairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linked via C—H...N and C—H...O hydrogen bonds, forming chains along the c-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to the bc plane.

  14. 2-(4-Bromophenyl-5-fluoro-3-phenylsulfinyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2010-08-01

    Full Text Available In the title compound, C20H12BrFO2S, the O atom and the phenyl group of the phenylsulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment; the phenyl ring is nearly perpendicular to this plane [dihedral angle = 86.98 (6°]. The 4-bromophenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 1.56 (8°. The crystal structure features aromatic π–π interactions between the furan and phenyl rings of neighbouring molecules [centroid–centroid distance = 3.506 (3 Å], and an intermolecular C—H...π interaction. The crystal structure also exhibits a short intermolecular S...S contact [3.2635 (8 Å].

  15. Study of pH dependence using molecular modeling in reversed-phase liquid chromatography of 1-phenyl-3-methyl-5-pyrazolone derivatives of aldose

    International Nuclear Information System (INIS)

    Yamamoto, Fumiko M.; Rokushika, Souji

    2004-01-01

    A series of 1-phenyl-3-methyl-5-pyrazolone (PMP) aldose was eluted on a C 18 column with an acetonitrile-phosphate buffer over the range of pH 2-10 in reversed phase liquid chromatography. The relationship between the retention factor, k, and the eluent pH was expressed by an equilibrium scheme representing the probable retention process. The experimental data were fitted to the correlation curve drawn according to the equation containing the formation of the hydrogen bond with a hydroxonium ion in the eluent and the ionization of the oxygen atoms in the pyrazolone rings of the solute. The conformational changes of PMP-aldose according with the eluent pH were corroborated by computer-aided molecular modeling using quantum chemical calculations. The retention behavior was elucidated as a function of the geometrical feature of the PMP-aldose

  16. Attachment and prejudice.

    Science.gov (United States)

    Carnelley, Katherine B; Boag, Elle M

    2018-04-16

    There is a paucity of research that examines prejudice from an attachment theory perspective. Herein we make theoretical links between attachment patterns and levels of prejudice. Perceptions of outgroup threat, which activate the attachment system, are thought to lead to fear and prejudice for those high in attachment anxiety, and to distancing and prejudice for those high in attachment avoidance. We review the literature that examines the associations between attachment patterns and prejudice; evidence from attachment priming studies suggests a causal role of attachment security in reducing prejudice. We identify several mediators of these links: empathy, negative emotions, trust, social dominance orientation, romanticism, and contact quality. Future research should manipulate potential mediators and use psychophysiological assessments of threat. Copyright © 2018 Elsevier Ltd. All rights reserved.

  17. Synthesis and structure of new 4-amino-5-(2-R1-phenyl-1,2,4-triazole-3-thiol alkilderivatives

    Directory of Open Access Journals (Sweden)

    Ye. S. Pruglo

    2017-08-01

    Full Text Available Chemistry of heterocyclic systems is a separate branch of organic chemistry with a long history and future prospects. The ring system of 1,2,4-triazole continuously attracts the interest of chemists, pharmacologists and pharmacists in finding medicinal compounds through its universal potential interactions with biological systems. Today it is known that 1,2,4-triazole derivatives have antibacterial, antifungal, antiinflammatory, anticonvulsant, antiviral, antituberculosis, antioxidant, anticancer and antitumor activities. They also have analgesic, local anesthetic, antimalarial, antiproliferative effects, antihypertensive, antidepressant, sedative, antihistamine, hepatoprotective, hypoglycemic, diuretic, antipyretic and countless number of action types. Therefore, the search of biologically active remedies and creating of new drugs on its base is highly efficient topical issue of medical and pharmaceutical work. The purpose of these studies is the synthesis, establishment of physical-chemical parameters of new 4-amino-5-(2-R1-phenyl-1,2,4-triazole-3-thiol alkylderivatives. Materials and methods. The studying of physical and chemical properties of compounds was made in accordance with the methods described in the State Pharmacopoeia of Ukraine 2.0. The melting point was determined on an automatic gear MPA100. The elemental composition of the compounds was set on the analyzer Elementar Vario EL cube. 1H NMR spectra were recorded using the spectrometer Varian Mercury VX-200 (1H, 200 MHz and decrypted by a computer program SpinWorks 3.1.8. Chromatography-mass spectral studies were carried out in the gas-liquid chromatograph Agilent 1260 Infinity HPLC equipped with a mass spectrometer Agilent 6120 (in electrospray ionization (ESI. Results. 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol and 4-amino-5-(2-bromophenyl-4H-1,2,4-triazol-3-thiol were used as the initial materials. These compounds were obtained by reaction of benzoic acid hydrazide and 2

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

    Science.gov (United States)

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

    2010-10-01

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

  19. Synthesis and characterization of tris[butyl-(1-methyl-3-phenyl-propyl-dithiocarbamato]-cobalt(III seskvitoluene

    Directory of Open Access Journals (Sweden)

    TIBOR SABO

    2002-02-01

    Full Text Available A new bidentate ligand butyl-(1-methyl-3-phenyl-propyl-dithiocarbamate (bmFpdtc was prepared, as the sodium salt. In the reaction of hexaaminecobalt(III chloride with NabmFpdtc, the corresponding tris[butyl-(1-methyl-3-phenyl-propyl-dithiocarbamato]cobalt(III, [Co(bmFpdtc3] complex was prepared. The complex was characterized by elemental analysis, infrared, electronic absorption, 1H and 13C-NMR spectroscopy.

  20. Different molecular conformations co-exist in each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamides: hydrogen bonding in zero, one and two dimensions.

    Science.gov (United States)

    Narayana, Badiadka; Yathirajan, Hemmige S; Rathore, Ravindranath S; Glidewell, Christopher

    2016-09-01

    4-Antipyrine [4-amino-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] and its derivatives exhibit a range of biological activities, including analgesic, antibacterial and anti-inflammatory, and new examples are always of potential interest and value. 2-(4-Chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, C19H18ClN3O2, (I), crystallizes with Z' = 2 in the space group P\\overline{1}, whereas its positional isomer 2-(2-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, (II), crystallizes with Z' = 1 in the space group C2/c; the molecules of (II) are disordered over two sets of atomic sites having occupancies of 0.6020 (18) and 0.3980 (18). The two independent molecules of (I) adopt different molecular conformations, as do the two disorder components in (II), where the 2-chlorophenyl substituents adopt different orientations. The molecules of (I) are linked by a combination of N-H...O and C-H...O hydrogen bonds to form centrosymmetric four-molecule aggregates, while those of (II) are linked by the same types of hydrogen bonds forming sheets. The related compound N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methoxyphenyl)acetamide, C20H21N3O3, (III), is isomorphous with (I) but not strictly isostructural; again the two independent molecules adopt different molecular conformations, and the molecules are linked by N-H...O and C-H...O hydrogen bonds to form ribbons. Comparisons are made with some related structures, indicating that a hydrogen-bonded R2(2)(10) ring is the common structural motif.

  1. Effect of Ring Size in ω-Alicyclic Fatty Acids on the Structural and Dynamical Properties Associated with Fluidity in Lipid Bilayers.

    Science.gov (United States)

    Poger, David; Mark, Alan E

    2015-10-27

    Fatty acids containing a terminal cyclic group such as cyclohexyl and cycloheptyl are commonly found in prokaryotic membranes, especially in those of thermo-acidophilic bacteria. These so-called ω-alicyclic fatty acids have been proposed to stabilize the membranes of bacteria by reducing the fluidity in membranes and increasing lipid packing and lipid chain order. In this article, molecular dynamics simulations are used to examine the effect of 3- to 7-membered cycloalkyl saturated and unsaturated (cyclopent-2-enyl and phenyl) rings in ω-alicyclic fatty acyl chains on the structure (lipid packing, lipid chain order, and fraction of gauche defects in the chains) and dynamics (lateral lipid diffusion) of a model lipid bilayer. It was found that ω-alicyclic chains in which the ring was saturated reduced lipid condensation and lowered chain order which would be associated with enhanced fluidity. However, this effect was limited. The lateral diffusion of the lipids diminished as the ring size increased. In particular, ω-cyclohexyl and ω-cycloheptyl acyl tails led to a decrease in lipid diffusion. In contrast, ω-alicyclic acyl chains that contain an unsaturated ring promoted membrane fluidity both in terms of changes in membrane structure and lipid diffusion. This may indicate that saturated and unsaturated terminal rings in ω-alicyclic fatty acids fulfill alternative functions within membranes. Overall, the simulations suggest that ω-alicyclic fatty acids in which the terminal ring is saturated might protect the membrane of thermo-acidophilic bacteria from high-temperature and low-pH conditions through a "dynamical barrier" that would limit lipid diffusion and transmembrane diffusion of undesired ions and molecules.

  2. [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives ...

    Indian Academy of Sciences (India)

    YOGESH PATIL

    2018-02-15

    Feb 15, 2018 ... These derivatives could be considered as a precursor structure for further design of antituberculosis agent. Keywords. [2-(2,4-dimethylphenylthio)phenyl] aniline; antituberculosis activity; cytotoxicity. 1. Introduction. Tuberculosis (TB) is a contagious disease caused by the. Mycobacterium tuberculosis (MTB).

  3. 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]indane-1,3-dione

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2011-02-01

    Full Text Available The title compound 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene]-indane-1,3-dione (3 was synthesized in high yield by reaction of 3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde and indane-1,3-dione in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and GC-MS spectral analysis.

  4. Radiation initiated polymerisation of phenyl methacrylate

    International Nuclear Information System (INIS)

    Raghunath, S.; Rao, M.H.; Rao, K.N.

    1983-01-01

    Radiation initiated polymerisation of phenyl methacrylate has been studied at various dose rates and temperature. Predominant chain transfer to the monomer was observed and ksub(tran)/Ksub(p) the chain transfer constant ratio was found to be 4 x 10 -2 .ksub(p)/ksub(tsup(1/2)) value determined by the kinetic data and the molecular weight data were 0.0821 and 0.0198, respectively. IR studies of polymer at low conversion showed the presence of terminal unsaturation which disappeared at saturation conversion, thus showing its participation in the formation of a three dimensional network. (author)

  5. 'Adoption and attachment theory' the attachment models of adoptive mothers and the revision of attachment patterns of their late-adopted children.

    Science.gov (United States)

    Pace, C S; Zavattini, G C

    2011-01-01

    This study examined the attachment patterns of late-adopted children (aged 4-7) and their adoptive mothers during the first 7- to 8-month period after adoption and aimed to evaluate the effect of adoptive mothers' attachment security on the revision of the attachment patterns of their late-adopted children. We assessed attachment patterns in 20 adoptive dyads and 12 genetically related dyads at two different times: T1 (time 1) within 2 months of adoption and T2 (time 2) 6 months after T1. The children's behavioural attachment patterns were assessed using the Separation-Reunion Procedure and the children's representational (verbal) attachment patterns using the Manchester Child Attachment Story Task. The attachment models of the adoptive mothers were classified using the Adult Attachment Interview. We found that there was a significant enhancement of the late-adopted children's attachment security across the time period considered (P= 0.008). Moreover, all the late-adopted children who showed a change from insecurity to security had adoptive mothers with secure attachment models (P= 0.044). However, the matching between maternal attachment models and late-adopted children's attachment patterns (behaviours and representations) was not significant. Our data suggest that revision of the attachment patterns in the late-adopted children is possible but gradual, and that the adoptive mothers' attachment security makes it more likely to occur. © 2010 Blackwell Publishing Ltd.

  6. Click functionalization of phenyl-capped bithiophene on azide-terminated self-assembled monolayers

    International Nuclear Information System (INIS)

    Zheng, Yijun; Cui, Jiaxi; Ikeda, Taichi

    2015-01-01

    Graphical abstract: - Highlights: • Electrochemically-active self-assembled monolayers with phenyl-capped bithiophene were prepared. • Post-functionalization method based on click chemistry solved the solubility issue of phenyl-capped thiophene alkanethiol. • The capture and release of the counter anions during the redox reaction were detectable by E-QCM. - Abstract: We immobilized tetra(ethylene glycol)-substituted phenyl-capped bithiophene with alkyne terminals (Ph2TPh-alkyne) on azide-terminated self-assembled monolayers (N 3 -SAMs) by Cu-catalyzed azide-alkyne cycloaddition reaction. Ph2TPh-functionalized SAMs on a gold substrate showed reversible electrochemical response. The surface densities of the azide groups in N 3 -SAMs and Ph2TPh units in Ph2TPh-functionalized SAMs were estimated to be 7.3 ± 0.3 × 10 −10 mol cm −2 and 4.6 ± 0.3 × 10 −10 mol cm −2 , respectively, by quartz crystal microbalance (QCM). Most of Ph2TPh-alkynes are considered to be anchored on N 3 -SAMs via both terminal groups. Ph2TPh-functionalized SAMs exhibited reversible redox peaks in cyclic voltammetry (CV). In redox reaction, reversible capture and release of the counter anion could be monitored by electrochemical QCM (E-QCM).

  7. Click functionalization of phenyl-capped bithiophene on azide-terminated self-assembled monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Yijun; Cui, Jiaxi [Max Planck Institute for Polymer Research (MPIP), Ackermannweg 10, Mainz 55128 (Germany); Ikeda, Taichi, E-mail: IKEDA.Taichi@nims.go.jp [Max Planck Institute for Polymer Research (MPIP), Ackermannweg 10, Mainz 55128 (Germany); Polymer Materials Unit, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2015-11-15

    Graphical abstract: - Highlights: • Electrochemically-active self-assembled monolayers with phenyl-capped bithiophene were prepared. • Post-functionalization method based on click chemistry solved the solubility issue of phenyl-capped thiophene alkanethiol. • The capture and release of the counter anions during the redox reaction were detectable by E-QCM. - Abstract: We immobilized tetra(ethylene glycol)-substituted phenyl-capped bithiophene with alkyne terminals (Ph2TPh-alkyne) on azide-terminated self-assembled monolayers (N{sub 3}-SAMs) by Cu-catalyzed azide-alkyne cycloaddition reaction. Ph2TPh-functionalized SAMs on a gold substrate showed reversible electrochemical response. The surface densities of the azide groups in N{sub 3}-SAMs and Ph2TPh units in Ph2TPh-functionalized SAMs were estimated to be 7.3 ± 0.3 × 10{sup −10} mol cm{sup −2} and 4.6 ± 0.3 × 10{sup −10} mol cm{sup −2}, respectively, by quartz crystal microbalance (QCM). Most of Ph2TPh-alkynes are considered to be anchored on N{sub 3}-SAMs via both terminal groups. Ph2TPh-functionalized SAMs exhibited reversible redox peaks in cyclic voltammetry (CV). In redox reaction, reversible capture and release of the counter anion could be monitored by electrochemical QCM (E-QCM).

  8. Design, synthesis and inhibitory activities of 8-(substituted styrol-formamido)phenyl-xanthine derivatives on monoamine oxidase B.

    Science.gov (United States)

    Hu, Suwen; Nian, Siyun; Qin, Kuiyou; Xiao, Tong; Li, Lingna; Qi, Xiaolu; Ye, Faqing; Liang, Guang; Hu, Guoxin; He, Jincai; Yu, Yinfei; Song, Bo

    2012-01-01

    The design and synthesis of two series of 8-(substituted styrol-formamido)phenyl-xanthine derivatives are described. Their in vitro monoamine oxidase B (MAO-B) inhibition were tested and the effect of substituents on the N-7, phenyl and the substituted positions are discussed. It was observed that compound 9b displayed significant MAO-B inhibition activity and selectivity, fluorine substitution plays a key role in the selectivity of MAO-B inhibition, and the styrol-formamido group at position-3' may enhance the activity and selectivity of 8-phenyl-xanthine analogues. These results suggest that such compounds may be utilized for the development of new candidate MAO-B inhibitors for treatment of Parkinson's disease.

  9. Synthesis of {sup 14}C-labeled levamisole and {sup 13}C-labeled tetramisole

    Energy Technology Data Exchange (ETDEWEB)

    Feil, V.J. [US Department of Agriculture, Agricultural Research Service, Biosciences Research Lab., Fargo, ND (United States)

    1996-12-01

    The syntheses of {sup 14}C-ring labeled levamisole ([-]-2,3,5,6-tetrahydro-6-phenyl [{sup 14}C]-UL imidazo[2,1-b]thiazole) from acetophenone-ring-UL-{sup 14}C in 5 steps plus resolution with a 7.5% overall yield, and {sup 13}C{sub 6}-ring labeled tetramisole ([{+-}]-2,3,5,6-tetrahydro-6-phenyl [{sup 13}C{sub 6}]imidazo[2,1-b]thiazole) from benzene-{sup 13}C{sub 6} in 6 steps with a 9.0% overall yield are described. (author).

  10. UV-visible spectrum of the phenyl radical and kinetics of its reaction with NO in the gas phase

    DEFF Research Database (Denmark)

    Wallington, T.J.; Egsgaard, H.; Nielsen, O.J.

    1998-01-01

    Pulse radiolysis transient UV-visible absorption spectroscopy was used to study the UV-visible absorption spectrum (225-575 nm) of the phenyl radical, C6H5(.), and kinetics of its reaction with NO. Phenyl radicals have a strong broad featureless absorption in the region of 225-340 nm...

  11. Black rings

    International Nuclear Information System (INIS)

    Emparan, Roberto; Reall, Harvey S

    2006-01-01

    A black ring is a five-dimensional black hole with an event horizon of topology S 1 x S 2 . We provide an introduction to the description of black rings in general relativity and string theory. Novel aspects of the presentation include a new approach to constructing black ring coordinates and a critical review of black ring microscopics. (topical review)

  12. The attachment system in fledgling relationships: an activating role for attachment anxiety.

    Science.gov (United States)

    Eastwick, Paul W; Finkel, Eli J

    2008-09-01

    Is it sensible to study attachment dynamics between potential romantic partners before they share a full-fledged attachment bond? The present data indicate that such an approach may reveal novel insights about initial attraction processes. Four studies suggest that the state-like experience of attachment anxiety has functional implications within fledgling (i.e., desired or undeveloped) romantic relationships, well before the formation of an attachment bond. Studies 1 and 3 reveal that attachment anxiety directed toward a particular romantic interest is elevated before (in comparison with after) participants report being in an established relationship. Studies 2 and 3 demonstrate that such partner-specific attachment anxiety predicts attachment-relevant outcomes in fledgling relationships, including proximity seeking, safe haven, secure base, passionate love, and other approach behaviors. These associations were reliable above and beyond (and were typically as strong as or stronger than) the effect of sexual desire. Finally, Study 4 presents evidence that partner-specific attachment anxiety may cause several of these attachment-relevant outcomes. Attachment anxiety seems to be a normative experience and may signal the activation of the attachment system during the earliest stages of romantic relationships.

  13. Blade attachment assembly

    Science.gov (United States)

    Garcia-Crespo, Andres Jose; Delvaux, John McConnell; Miller, Diane Patricia

    2016-05-03

    An assembly and method for affixing a turbomachine rotor blade to a rotor wheel are disclosed. In an embodiment, an adaptor member is provided disposed between the blade and the rotor wheel, the adaptor member including an adaptor attachment slot that is complementary to the blade attachment member, and an adaptor attachment member that is complementary to the rotor wheel attachment slot. A coverplate is provided, having a coverplate attachment member that is complementary to the rotor wheel attachment slot, and a hook for engaging the adaptor member. When assembled, the coverplate member matingly engages with the adaptor member, and retains the blade in the adaptor member, and the assembly in the rotor wheel.

  14. Variations in Ring Particle Cooling across Saturn's Rings with Cassini CIRS

    Science.gov (United States)

    Brooks, S. M.; Spilker, L. J.; Pilorz, S.; Edgington, S. G.; Déau, E.; Altobelli, N.

    2010-12-01

    Cassini's Composite Infrared Spectrometer has recorded over two million of spectra of Saturn's rings in the far infrared since arriving at Saturn in 2004. CIRS records far infrared radiation between 10 and 600 cm-1 ( 16.7 and 1000 μ {m} ) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn’s rings peaks in this wavelength range. Ring temperatures can be inferred from FP1 data. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and rapidly changing temperatures are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid particles can be expected to have higher thermal inertias. Ferrari et al. (2005) fit thermal inertia values of 5218 {Jm)-2 {K}-1 {s}-1/2 to their B ring data and 6412 {Jm)-2 {K}-1 {s}-1/2 to their C ring data. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The rings’ thermal budget is dominated by its absorption of solar radiation. As a result, ring particles abruptly cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

  15. A new multicompartmental reaction-diffusion modeling method links transient membrane attachment of E. coli MinE to E-ring formation.

    Science.gov (United States)

    Arjunan, Satya Nanda Vel; Tomita, Masaru

    2010-03-01

    Many important cellular processes are regulated by reaction-diffusion (RD) of molecules that takes place both in the cytoplasm and on the membrane. To model and analyze such multicompartmental processes, we developed a lattice-based Monte Carlo method, Spatiocyte that supports RD in volume and surface compartments at single molecule resolution. Stochasticity in RD and the excluded volume effect brought by intracellular molecular crowding, both of which can significantly affect RD and thus, cellular processes, are also supported. We verified the method by comparing simulation results of diffusion, irreversible and reversible reactions with the predicted analytical and best available numerical solutions. Moreover, to directly compare the localization patterns of molecules in fluorescence microscopy images with simulation, we devised a visualization method that mimics the microphotography process by showing the trajectory of simulated molecules averaged according to the camera exposure time. In the rod-shaped bacterium Escherichia coli, the division site is suppressed at the cell poles by periodic pole-to-pole oscillations of the Min proteins (MinC, MinD and MinE) arising from carefully orchestrated RD in both cytoplasm and membrane compartments. Using Spatiocyte we could model and reproduce the in vivo MinDE localization dynamics by accounting for the previously reported properties of MinE. Our results suggest that the MinE ring, which is essential in preventing polar septation, is largely composed of MinE that is transiently attached to the membrane independently after recruited by MinD. Overall, Spatiocyte allows simulation and visualization of complex spatial and reaction-diffusion mediated cellular processes in volumes and surfaces. As we showed, it can potentially provide mechanistic insights otherwise difficult to obtain experimentally. The online version of this article (doi:10.1007/s11693-009-9047-2) contains supplementary material, which is available to

  16. Isolation of novel para-pentyl phenyl benzoate from Mondia whitei ...

    African Journals Online (AJOL)

    Results: The structure of the compound was elucidated as para pentyl phenyl benzoate. The neuropharmacological evaluation of the compound indicated significant (p<0.05) depression of the central nervous system. The binding characteristics of the compound to gamma amino butyric acid A receptors appears to be more ...

  17. Crystal structure of 2-((1E-{2-[bis(2-methylbenzylsulfanylmethylidene]hydrazin-1-ylidene}methyl-6-methoxyphenol

    Directory of Open Access Journals (Sweden)

    Enis Nadia Md Yusof

    2015-04-01

    Full Text Available In the title compound, C25H26N2O2S2, the central CN2S2 atoms are almost coplanar (r.m.s. deviation = 0.0058 Å. One phenyl ring clearly lies to one side of the central plane, while the other is oriented in the plane but splayed. Despite the different relative orientations, the phenyl rings form similar dihedral angles of 64.90 (3 and 70.06 (3° with the central plane, and 63.28 (4° with each other. The benzene ring is twisted with respect to the central plane, forming a dihedral angle of 13.17 (7°. The S2C=N, N—N and N—N=C bond lengths of 1.2919 (19, 1.4037 (17 and 1.2892 (19 Å, respectively, suggest limited conjugation over these atoms; the configuration about the N—N=C bond is E. An intramolecular O—H...N hydrogen bond is noted. In the crystal, phenyl–methoxy C—H...O and phenyl–phenyl C—H...π interactions lead to supramolecular double chains parallel to the b axis. These are connected into a layer via methyl–phenyl C—H...π interactions, and layers stack along the a axis, being connected by weak π–π interactions between phenyl rings [inter-centroid distance = 3.9915 (9 Å] so that a three-dimensional architecture ensues.

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

    Directory of Open Access Journals (Sweden)

    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.

  19. Esterification of phenyl acetic acid with p-cresol using metal cation exchanged montmorillonite nanoclay catalysts.

    Science.gov (United States)

    Bhaskar, M; Surekha, M; Suma, N

    2018-02-01

    The liquid phase esterification of phenyl acetic acid with p -cresol over different metal cation exchanged montmorillonite nanoclays yields p -cresyl phenyl acetate. Different metal cation exchanged montmorillonite nanoclays (M n +  = Al 3+ , Zn 2+ , Mn 2+ , Fe 3+ , Cu 2+ ) were prepared and the catalytic activity was studied. The esterification reaction was conducted by varying molar ratio of the reactants, reaction time and catalyst amount on the yield of the ester. Among the different metal cation exchanged catalysts used, Al 3+ -montmorillonite nanoclay was found to be more active. The characterization of the material used was studied under different techniques, namely X-ray diffraction, scanning electron microscopy and thermogravimetric analysis. The product obtained, p -cresyl phenyl acetate, was identified by thin-layer chromotography and confirmed by Fourier transform infrared, 1 H NMR and 13 C NMR. The regeneration activity of used catalyst was also investigated up to fourth generation.

  20. Chemical silicon surface modification and bioreceptor attachment to develop competitive integrated photonic biosensors.

    Science.gov (United States)

    Escorihuela, Jorge; Bañuls, María José; García Castelló, Javier; Toccafondo, Veronica; García-Rupérez, Jaime; Puchades, Rosa; Maquieira, Ángel

    2012-12-01

    Methodology for the functionalization of silicon-based materials employed for the development of photonic label-free nanobiosensors is reported. The studied functionalization based on organosilane chemistry allowed the direct attachment of biomolecules in a single step, maintaining their bioavailability. Using this immobilization approach in probe microarrays, successful specific detection of bacterial DNA is achieved, reaching hybridization sensitivities of 10 pM. The utility of the immobilization approach for the functionalization of label-free nanobiosensors based on photonic crystals and ring resonators was demonstrated using bovine serum albumin (BSA)/anti-BSA as a model system.

  1. Electron-attachment processes

    International Nuclear Information System (INIS)

    Christophorou, L.G.; McCorkle, D.L.; Christodoulides, A.A.

    1982-01-01

    Topics covered include: (1) modes of production of negative ions, (2) techniques for the study of electron attachment processes, (3) dissociative electron attachment to ground-state molecules, (4) dissociative electron attachment to hot molecules (effects of temperature on dissociative electron attachment), (5) molecular parent negative ions, and (6) negative ions formed by ion-pair processes and by collisions of molecules with ground state and Rydberg atoms

  2. Alternative loop rings

    CERN Document Server

    Goodaire, EG; Polcino Milies, C

    1996-01-01

    For the past ten years, alternative loop rings have intrigued mathematicians from a wide cross-section of modern algebra. As a consequence, the theory of alternative loop rings has grown tremendously. One of the main developments is the complete characterization of loops which have an alternative but not associative, loop ring. Furthermore, there is a very close relationship between the algebraic structures of loop rings and of group rings over 2-groups. Another major topic of research is the study of the unit loop of the integral loop ring. Here the interaction between loop rings and group ri

  3. Primitivity and weak distributivity in near rings and matrix near rings

    International Nuclear Information System (INIS)

    Abbasi, S.J.

    1993-08-01

    This paper shows the structure of matrix near ring constructed over a weakly distributive and primative near ring. It is proved that a weakly distributive primitive near ring is a ring and the matrix near rings constructed over it is also a bag. (author). 14 refs

  4. Crystal structure of chlorido(η2-phenyl isothiocyanate-κ2C,S-mer-tris(trimethylphosphane-κPiridium(I

    Directory of Open Access Journals (Sweden)

    Joseph S. Merola

    2014-11-01

    Full Text Available The molecule of the title compound, [IrCl(C7H5NS(C3H9P3], is a distorted octahedral iridium complex with three PMe3 ligands arranged in a meridional geometry, a chloride ion cis to all three PMe3 groups and the phenyl isothiocyanate ligand bonded in an η2-fashion through the C and S atoms. The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octahedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl isothiocyanates, as well as with examples of uncomplexed aryl isothiocyanates.

  5. Interaction of ring dark solitons with ring impurities in Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Xue Jukui

    2005-01-01

    The interaction of ring dark solitons/vortexes with the ring-shaped repulsive and attractive impurities in two-dimensional Bose-Einstein condensates is investigated numerically. Very rich interaction phenomena are obtained, i.e., not only the interaction between the ring soliton and the impurity, but also the interaction between vortexes and the impurity. The interaction characters, i.e., snaking of ring soliton, quasitrapping or reflection of ring soliton and vortexes by the impurity, strongly depend on initial ring soliton velocity, impurity strength, initial position of ring soliton and impurity. The numerical results also reveal that ring dark solitons/vortexes can be trapped and dragged by an adiabatically moving attractive ring impurity

  6. Storage Rings

    International Nuclear Information System (INIS)

    Fischer, W.

    2010-01-01

    Storage rings are circular machines that store particle beams at a constant energy. Beams are stored in rings without acceleration for a number of reasons (Tab. 1). Storage rings are used in high-energy, nuclear, atomic, and molecular physics, as well as for experiments in chemistry, material and life sciences. Parameters for storage rings such as particle species, energy, beam intensity, beam size, and store time vary widely depending on the application. The beam must be injected into a storage ring but may not be extracted (Fig. 1). Accelerator rings such as synchrotrons are used as storage rings before and after acceleration. Particles stored in rings include electrons and positrons; muons; protons and anti-protons; neutrons; light and heavy, positive and negative, atomic ions of various charge states; molecular and cluster ions, and neutral polar molecules. Spin polarized beams of electrons, positrons, and protons were stored. The kinetic energy of the stored particles ranges from 10 -6 eV to 3.5 x 10 12 eV (LHC, 7 x 10 12 eV planned), the number of stored particles from one (ESR) to 1015 (ISR). To store beam in rings requires bending (dipoles) and transverse focusing (quadrupoles). Higher order multipoles are used to correct chromatic aberrations, to suppress instabilities, and to compensate for nonlinear field errors of dipoles and quadrupoles. Magnetic multipole functions can be combined in magnets. Beams are stored bunched with radio frequency systems, and unbunched. The magnetic lattice and radio frequency system are designed to ensure the stability of transverse and longitudinal motion. New technologies allow for better storage rings. With strong focusing the beam pipe dimensions became much smaller than previously possible. For a given circumference superconducting magnets make higher energies possible, and superconducting radio frequency systems allow for efficient replenishment of synchrotron radiation losses of large current electron or positron beams

  7. Attachment and social networks.

    Science.gov (United States)

    Gillath, Omri; C Karantzas, Gery; Lee, Juwon

    2018-02-21

    The current review covers two lines of research linking attachment and social networks. One focuses on attachment networks (the people who fulfill one's attachment needs), examining composition and age-related differences pertaining to these networks. The other line integrates attachment with social network analysis to investigate how individual differences in adult attachment are associated with the management and characteristics (e.g., density, multiplexity, and centrality) of people's social networks. We show that most people's attachment networks are small and hierarchical, with one figure being the primary attachment figure (often a mother or romantic partner, depending on age). Furthermore, attachment style predicts network characteristics and management, such that insecurity is associated with less closeness, multiplexity, centrality, and poorer management (less maintenance, more dissolution). Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Viii. Attachment and sleep among toddlers: disentangling attachment security and dependency.

    Science.gov (United States)

    Bélanger, Marie-Ève; Bernier, Annie; Simard, Valérie; Bordeleau, Stéphanie; Carrier, Julie

    2015-03-01

    Many scholars have proposed that parent-child attachment security should favor child sleep. Research has yet, however, to provide convincing support for this hypothesis. The current study used objective measures of sleep and attachment to assess the longitudinal links between mother-child attachment security and subsequent sleep, controlling for child dependency. Sixty-two middle-class families (30 girls) were met twice, when children were 15 months (Wave 1; W1) and 2 years of age (Wave 2; W2). At W1, mother-child attachment was assessed with the observer version of the Attachment Q-Sort. At W2, children wore an actigraph monitor for 72 hr. Results indicated that children more securely attached to their mothers subsequently slept more at night and had higher sleep efficiency, and these predictions were not confounded by child dependency. These findings suggest a unique role for secure attachment relationships in the development of young children's sleep regulation, while addressing methodological issues that have long precluded consensus in this literature. © 2015 The Society for Research in Child Development, Inc.

  9. Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

    Directory of Open Access Journals (Sweden)

    Bodee Nutho

    2014-11-01

    Full Text Available In the present study, our aim is to investigate the preferential binding mode and encapsulation of the flavonoid fisetin in the nano-pore of β-cyclodextrin (β-CD at the molecular level using various theoretical approaches: molecular docking, molecular dynamics (MD simulations and binding free energy calculations. The molecular docking suggested four possible fisetin orientations in the cavity through its chromone or phenyl ring with two different geometries of fisetin due to the rotatable bond between the two rings. From the multiple MD results, the phenyl ring of fisetin favours its inclusion into the β-CD cavity, whilst less binding or even unbinding preference was observed in the complexes where the larger chromone ring is located in the cavity. All MM- and QM-PBSA/GBSA free energy predictions supported the more stable fisetin/β-CD complex of the bound phenyl ring. Van der Waals interaction is the key force in forming the complexes. In addition, the quantum mechanics calculations with M06-2X/6-31G(d,p clearly showed that both solvation effect and BSSE correction cannot be neglected for the energy determination of the chosen system.

  10. Rings in drugs.

    Science.gov (United States)

    Taylor, Richard D; MacCoss, Malcolm; Lawson, Alastair D G

    2014-07-24

    We have analyzed the rings, ring systems, and frameworks in drugs listed in the FDA Orange Book to understand the frequency, timelines, molecular property space, and the application of these rings in different therapeutic areas and target classes. This analysis shows that there are only 351 ring systems and 1197 frameworks in drugs that came onto the market before 2013. Furthermore, on average six new ring systems enter drug space each year and approximately 28% of new drugs contain a new ring system. Moreover, it is very unusual for a drug to contain more than one new ring system and the majority of the most frequently used ring systems (83%) were first used in drugs developed prior to 1983. These observations give insight into the chemical novelty of drugs and potentially efficient ways to assess compound libraries and develop compounds from hit identification to lead optimization and beyond.

  11. Opening a spiropyran ring by way of an exciplex intermediate.

    Science.gov (United States)

    Benniston, Andrew C; Harriman, Anthony; Howell, Sarah L; Li, Peiyi; Lydon, Donocadh P

    2007-02-02

    A molecular dyad has been synthesized in which the main chromophore is a 1,4-diethynylated benzene residue terminated with pyrene moieties, this latter unit acting as a single chromophore. A spiropyran group has been condensed to the central phenylene ring so as to position a weak electron donor close to the pyrene unit. Illumination of the pyrene-based chromophore leads to formation of a fluorescent exciplex in polar solvents but pyrene-like fluorescence is observed in nonpolar solvents. The exciplex has a lifetime of a few nanoseconds and undergoes intersystem crossing to the pyrene-like triplet state with low efficiency. Attaching a 4-nitrobenzene group to the open end of the spiropyran unit creates a new route for decay of the exciplex whereby the triplet state of the spiropyran is formed. Nonradiative decay of this latter species results in ring opening to form the corresponding merocyanine species. Rate constants for the various steps have been obtained from time-resolved fluorescence spectroscopy carried out over a modest temperature range. Under visible light illumination, the merocyanine form reverts to the original spiropyran geometry so that the cycle is closed. Energy transfer from the pyrene chromophore to the merocyanine unit leads to an increased rate of ring closure and serves to push the steady-state composition in favor of the spiropyran form.

  12. An experimental evaluation of the State Adult Attachment Measure: The Influence of Attachment Primes on the Content of State Attachment Representations

    OpenAIRE

    Bosmans, Guy; Bowles, David, P.; Dewitte, Marieke; De Winter, Simon; Braet, Caroline

    2014-01-01

    Attachment theory predicts cross-contextual stability of attachment representations, but research findings are rather mixed. Recently, it has been suggested that these mixed findings reflect the existence of both state and trait attachment components. The development of the State Adult Attachment Measure (SAAM) has enabled an investigation of this hypothesis. The current study aimed to evaluate the extent to which the SAAM is a useful instrument for studying such state attachment hypotheses. ...

  13. Attachment over Time.

    Science.gov (United States)

    Lewis, Michael; Feiring, Candice; Rosenthal, Saul

    2000-01-01

    Examined continuity in attachment classification from infancy through adolescence and related it to autobiographical memories of childhood, divorce, and maladjustment in white middle-class children. Found no continuity in attachment classification from 1 to 18 years and no relation between infant attachment status and adolescent adjustment.…

  14. Chloridobis{2-[(dimethylaminomethyl]phenyl}antimony(III

    Directory of Open Access Journals (Sweden)

    Marian Olaru

    2009-11-01

    Full Text Available In the title compound, [Sb(C9H12N2Cl], the Sb atom adopts a Ψ-trigonal-bipyramidal geometry. The two 2-[(dimethylaminomethyl]phenyl ligands are coordinated asymmetrically to the Sb atom. The carbon atoms of one of the ligands are disordered over sets of sites with equal occupancy, resulting in two conformational isomers in the crystal. The Sb—C and Sb—N distances in the ordered ligand are: 2.153 (4 and 3.326 (5 Å, respectively. The corresponding distances in the disordered ligand are: 2.103 (5/2.188 (5 and 2.454 (3 Å, respectively. The structure displays intramolecular C—H...Cl hydrogen bonding.

  15. (3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ2O,Obis[2-(2-pyridylphenyl-κ2C1,N]iridium(III

    Directory of Open Access Journals (Sweden)

    Kaijun Luo

    2011-11-01

    Full Text Available The title compound, [Ir(C11H8N2(C17H19O2], has an octahedral coordination geometry around the IrIII atom, retaining the cis-C,C,trans–N,N chelate disposition of the two 2-phenylpyridine ligands. The chelate rings are nearly mutually perpendicular [the interplanar angles range from 85.48 (17 to 89.17 (19°]. The two 2-(2-pyridylphenyl ligands are approximately planar, with the plane of the phenyl ring being inclined to that of the pyridine ring by 2.3 (3 and 5.1 (3° in the two ligands. The interplanar angle between the phenyl ring in 3-benzoyl-camphor and the IrO2C3 chelate ring is 35.5 (2°.

  16. 2,6-Diphenyl-4-(2-thienyl-1,4-dihydropyridine-3,5-dicarbonitrile

    Directory of Open Access Journals (Sweden)

    Xiao-Tong Zhu

    2009-09-01

    Full Text Available The asymmetric unit of the title compound, C23H15N3S, contains two crystallographically independent molecules. The pyridine rings adopt envelope conformations. The thiophene rings are oriented at dihedral angles of 77.97 (4/53.53 (4 and 78.44 (4/57.11 (4° with respect to the phenyl rings, while the dihedral angles between the phenyl rings are 48.51 (4 and 44.49 (4°. In the crystal structure, intermolecular N—H...N hydrogen bonds link the molecules into chains along the c axis. The S, C and H atoms of one of the thiophene rings are disordered over two orientations, with occupancy ratios of 0.314 (15:0.686 (15.

  17. Crystal structures of 2,3-bis(4-chlorophenyl-1,3-thiazolidin-4-one and trans-2,3-bis(4-chlorophenyl-1,3-thiazolidin-4-one 1-oxide

    Directory of Open Access Journals (Sweden)

    Hemant P. Yennawar

    2015-03-01

    Full Text Available In the crystal structures of the title compounds, C15H11Cl2NOS, (1, and C15H11Cl2NO2S, (2, wherein (2 is the oxidized form of (1, the thiazolidine ring is attached to two chlorophenyl rings. The chlorophenyl ring on the 2-carbon atom position points in the same direction as that of the S atom in (1, while in (2, the S atom points in the opposite direction. The O atom on the chiral S atom in (2 is trans to the chlorophenyl ring on the 2-carbon. The chlorophenyl ring planes in each structure are close to orthogonal, making dihedral angles of 78.61 (6 and 87.46 (8° in (1 and (2, respectively. The thiazolidine ring has a twisted conformation on the S—Cmethine bond in (1, and an envelope conformation with the S atom 0.715 (3 Å out of the plane of other four atoms in (2. In the crystal of (1, molecules are linked by C—H...O hydrogen bonds, as well as by slipped parallel π–π interactions [inter-centroid distance = 3.840 (3 Å] between inversion-related phenyl rings, forming sheets parallel to (001. In the crystal of (2, molecules are linked via C—H...O and C—H...Cl hydrogen bonds, forming slabs parallel to (001.

  18. Modified snap-on attachment with ′O-ring′ for two piece hollow bulb obturator

    Directory of Open Access Journals (Sweden)

    C Gunasekar

    2013-01-01

    Full Text Available Restoration of near normal functions in patients who have been treated with hemimaxillectomy is generally difficult, in view of the restriction in mouth opening following healing of large surgical wound. Further, the extent and nature of the surgical defect differ from patient to patient. Thus, design of an obturator needs to be patient oriented. In this report, we describe a novel snap-on attachment with O-ring in a conventional two piece hollow bulb obturator for a 70-year-old male treated for carcinoma of the left maxilla and sinus.

  19. Design, Synthesis and Insecticidal Activities of Novel Phenyl Substituted Isoxazolecarboxamides

    Institute of Scientific and Technical Information of China (English)

    LIU Peng-fei; ZHANG Ji-feng; YAN Tao; XIONG Li-xia; LI Zheng-ming

    2012-01-01

    Thirteen novel phenyl substituted isoxazolecarboxamides were synthesized,and their structures were characterized by 1H NMR,elementary analysis and high-resolution mass spectrometry(HRMS) techniques.Their evaluated insecticidal activities against oriental armyworm(Mythimna separata) indicate that the phcnyl substituted isoxazolecarboxamides exhibited moderate insecticidal activities,among which compounds 9c and 9k showed comparatively higher activities.

  20. Synthesis and spectroscopic examination of various substituted 1,3-dibenzoylmethane, active agents for UVA/UVB photoprotection.

    Science.gov (United States)

    Hubaud, Jean-Claude; Bombarda, Isabelle; Decome, Laetitia; Wallet, Jean-Claude; Gaydou, Emile M

    2008-08-21

    We describe the synthesis of eighteen variously substituted 1,3- dibenzoylmethane (1,3-DBM) and their change in absorption spectra depending of the nature of donor or acceptor substituents on one or the two aromatic moieties. These compounds were prepared in two steps starting from the corresponding acetophenones, phenol and benzoyl chlorides. The phenyl benzoate was obtained by condensation of benzoyl chloride with phenol in a classical way. Stirring of the phenyl benzoate and acetophenone in DMSO with powdered sodium hydroxide for a few minutes gave the dibenzoylmethane in yields depending on substituents on the phenyl rings. Changes in absorption of UVA/UVB sunlight of these molecules were observed according to the nature and the position of substituents on the phenyl rings. Molecules 2b (1-phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione), 2d (1-(3,4-dimethoxyphenyl)-3-phenyl-l,3-propanedione), 2e (1-(2,3-dimethoxyphenyl)-3-phenyl-l,3-propanedione) and 2f (1-(2,3,4-trimethoxyphenyl)-3-phenyl-l,3-propanedione) were the most interesting for cosmetic applications because even after irradiation, they preserve their absorptive in UVA range and also in UVB range The other compounds are too photounstable and so can lose their protective effects. These results showed the lack of phototoxicity of these compounds and the possibility to use them as solar filters. Therefore, variously di- or tri methoxy 1,3-DBM are interesting molecules in term of photoprotection and open new prospects for UVA photostable filters.

  1. Covalent modification of calcium hydroxyapatite surface by grafting phenyl phosphonate moieties

    International Nuclear Information System (INIS)

    Aissa, Abdallah; Debbabi, Mongi; Gruselle, Michel; Thouvenot, Rene; Gredin, Patrick; Traksmaa, Rainer; Tonsuaadu, Kaia

    2007-01-01

    The reaction between phenyl phosphonic dichloride (C 6 H 5 P(O)Cl 2 ) and synthetic calcium hydroxy- and fluorapatite has been investigated. The presence of mono- or polymeric (C 6 H 5 PO) fragment bound to hydroxyapatite was evidenced by IR, and solid-state 31 P NMR spectroscopy. X-ray powder analysis has shown that the apatitic structure remains unchanged during the reaction. In contrast, no reaction was found using fluorapatite. According to the results found for these two different apatites a mechanism was proposed for the formation of covalent P-O-P bonds as the result of a reaction between the C 6 H 5 P(O)Cl 2 organic reagent and (HPO 4 ) - and/or OH - ions of the hydroxyapatite. - Graphical abstract: Representation of the first step of the reaction between the phenyl phosphonic dichloride and the hydroxyl groups on the surface of the apatite, leading to covalent P-O-P bond with elimination of HCl

  2. Thioxanthone based 9-[2-(methyl-phenyl-amino)-acetyl]-thia-naphthacene-12-one as a visible photoinitiator

    International Nuclear Information System (INIS)

    Doğruyol, Sevnur Keskin; Doğruyol, Zekeriya; Arsu, Nergis

    2013-01-01

    Photoinitiators that operate in the visible range of the electromagnetic spectrum have widespread applications. Thioxanthone based 9-[2-(methyl-phenyl-amino)-acetyl]-thia-naphthacene-12-one (TX-MPA) was synthesized and the characterization of this initiator was confirmed by spectral analysis methods. TX-MPA has excellent absorption properties in the visible range (ε 480 nm =3576 L/mol.cm). Photophysical studies; fluorescence quantum yield (φ f =0.22, DPA), phosphorescence lifetime (τ p =115 ms) and triplet lifetime (τ=190 ns) were explored. To explore the initiation mechanism of TX-MPA, besides the photophysical and photochemical studies, the polymer (PMMA) obtained from the photopolymerization studies was subjected to a phosphorescence study and τ p was found to be 105 ms compared to 115 ms for the initiator TX-MPA which proved attachment of the initiator to the polymer. Possibly both intermolecular and intramolecular hydrogen abstraction, occur during the initiation stage depending on the concentration of the initiator. Highlights: ► Synthesis and photophysical properties of a visible photoinitiator (TX-MPA) are proposed. ► TX-MPA has high molar absorption values in the visible region. ► TX-MPA can initiate photopolymerization of methylmethacrylate monomer under UV and sunlight. ► Inter or intramolecular hydrogen abstraction mechanisms occur depending on initiator concentration

  3. Systemic therapy and attachment narratives: Attachment Narrative Therapy.

    Science.gov (United States)

    Dallos, Rudi; Vetere, Arlene

    2014-10-01

    This article outlines an integration of attachment theory with narrative theory and systemic theory and practice: Attachment Narrative Therapy (ANT). This integration offers a more powerful explanatory formulation of the development and maintenance of human distress in relationships, families and communities, and gives direction to psychotherapeutic intervention. © The Author(s) 2014.

  4. White Ring; White ring

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, H.; Yuzawa, H. [Nikken Sekkei Ltd., Osaka (Japan)

    1998-01-05

    White Ring is a citizen`s gymnasium used for figure skating and short track speed skating games of 18th Winter Olympic Games in 1998. White Ring is composed of a main-arena and a sub-arena. For the main-arena with an area 41mtimes66m, an ice link can be made by disengaging the potable floor and by flowing brine in the bridged polystyrene pipes embedded in the concrete floor. Due to the fortunate groundwater in this site, well water is used for the outside air treatment energy in 63% during heating and in 35% during cooling. Ammonia is used as a cooling medium for refrigerating facility. For the heating of audience area in the large space, heat load from the outside is reduced by enhancing the heat insulation performance of the roof of arena. The audience seats are locally heated using heaters. For the White Ring, high quality environment is realized for games through various functions of the large-scale roof of the large space. Success of the big event was expected. 15 figs., 4 tabs.

  5. Token Ring Project

    Directory of Open Access Journals (Sweden)

    Adela Ionescu

    2007-01-01

    Full Text Available Ring topology is a simple configuration used to connect processes that communicate among themselves. A number of network standards such as token ring, token bus, and FDDI are based on the ring connectivity. This article will develop an implementation of a ring of processes that communicate among themselves via pipe links. The processes are nodes in the ring. Each process reads from its standard input and writes in its standard output. N-1 process redirects the its standard output to a standard input of the process through a pipe. When the ring-structure is designed, the project can be extended to simulate networks or to implement algorithms for mutual exclusion

  6. Substituent effects on the excited states of phenyl-capped phenylene vinylene tetramers

    NARCIS (Netherlands)

    Candeias, L.P.; Gelinck, G.H.; Piet, J.J.; Piris, J.; Wegewijs, B.; Peeters, E.; Wildeman, J.; Hadziioannou, G.; Müllen, K.

    2001-01-01

    The singlet and triplet excited states of phenyl-capped tetramers of phenylene vinylene with different alkyl, alkoxy or cyano substituents, were investigated in benzene solution. The lowest singlet states were studied by laser flash-photolysis with time-resolved microwave conductivity and

  7. Semi-algebraic function rings and reflectors of partially ordered rings

    CERN Document Server

    Schwartz, Niels

    1999-01-01

    The book lays algebraic foundations for real geometry through a systematic investigation of partially ordered rings of semi-algebraic functions. Real spectra serve as primary geometric objects, the maps between them are determined by rings of functions associated with the spectra. The many different possible choices for these rings of functions are studied via reflections of partially ordered rings. Readers should feel comfortable using basic algebraic and categorical concepts. As motivational background some familiarity with real geometry will be helpful. The book aims at researchers and graduate students with an interest in real algebra and geometry, ordered algebraic structures, topology and rings of continuous functions.

  8. Techniques in gas-phase thermolyses - Part 7. Direct surface participation in gas-phase Curie-point pyrolysis: The pyrolysis of phenyl azide

    DEFF Research Database (Denmark)

    Egsgaard, Helge; Carlsen, Lars

    1986-01-01

    The possible direct participation of the hot reactor surface in the formation of pyrolysis products was elucidated through the pyrolytic decomposition of phenyl azide. It is demonstrated that the intermediate phenyl nitrene generated reacts with elemental carbon at the filament surface, leading...

  9. Rubrene: The interplay between intramolecular and intermolecular interactions determines the planarization of its tetracene core in the solid state

    KAUST Repository

    Sutton, Christopher

    2015-06-15

    Rubrene is one of the most studied molecular semiconductors; its chemical structure consists of a tetracene backbone with four phenyl rings appended to the two central fused rings. Derivatization of these phenyl rings can lead to two very different solid-state molecular conformations and packings: One in which the tetracene core is planar and there exists substantive overlap among neighboring π-conjugated backbones; and another where the tetracene core is twisted and the overlap of neighboring π-conjugated backbones is completely disrupted. State-of-the-art electronic-structure calculations show for all isolated rubrene derivatives that the twisted conformation is more favorable (by -1.7 to -4.1 kcal mol-1), which is a consequence of energetically unfavorable exchange-repulsion interactions among the phenyl side groups. Calculations based on available crystallographic structures reveal that planar conformations of the tetracene core in the solid state result from intermolecular interactions that can be tuned through well-chosen functionalization of the phenyl side groups, and lead to improved intermolecular electronic couplings. Understanding the interplay of these intramolecular and intermolecular interactions provides insight into how to chemically modify rubrene and similar molecular semiconductors to improve the intrinsic materials electronic properties.

  10. Rotating ring-ring electrode theory and experiment

    NARCIS (Netherlands)

    Kuiken, H.K.; Bakkers, E.P.A.M.; Ligthart, H.; Kellyb, J.J.

    2000-01-01

    A model is presented for the rotating ring-ring electrode. Although the electrode is defined by four characteristic lengths, it is shown that the collection efficiency depends on only two dimensionless parameters. A simple relationship between these and the corresponding parameters for the rotating

  11. Esters with imidazo [1,5-c] quinazoline-3,5-dione ring spectral characterization and quantum-mechanical modeling.

    Science.gov (United States)

    Hęclik, K; Szyszkowska, A; Trzybiński, D; Woźniak, K; Klasek, A; Zarzyka, I

    2017-04-01

    1-phenyl-2H,6H-imidazo[1,5-c]quinazoline-3,5-dione reacts with ethyl bromoacetate under mild conditions to give 2-(ethoxycarbonylmethyl)-1-phenyl-6H-imidazo[1,5-c]quinazoline-3,5-dione (MEPIQ) and next 2,6-bis(ethoxycarbonylmethyl)-1-phenylimidazo[1,5-c]quinazoline-3,5-dione (BEPIQ). The products were isolated at high yield and identified on the basis of IR, 1 H- and 13 C-NMR, UV spectroscopy, and X-ray crystallography. Diester (BEPIQ) can be presented by 16 possible pair of enantiomers. Only one pair of them is the most stable and crystallizes which is shown crystallographic research. Based on quantum-mechanical modeling, with the use of DFT method, which conformers of mono- and diester and why they were formed was explained. It was calculated that 99.93% of the monoester (MEPIQ) is formed at position No. 2 and one pair of the monoester conformers, from six possible, has the largest share (51.63%). These results afforded to limit the number of diester conformers to eight. Unfortunately, the quantum-mechanical calculations performed that their shares are similar. Further quantum-mechanical modeling showed that conformers are able to undergo mutual transformations. As a result only one pair of diester conformers forms crystals. These conformers have substituents in trans position and these substituents are located parallel to imidazoquinazoline ring. This allows for the denser packing of the molecules in the unit cell.

  12. Infant attachment, adult attachment, and maternal sensitivity: revisiting the intergenerational transmission gap.

    Science.gov (United States)

    Behrens, Kazuko Y; Haltigan, John D; Bahm, Naomi I Gribneau

    2016-08-01

    This study investigated the intergenerational transmission of attachment, utilizing the Adult Attachment Interview (AAI), the Strange Situation Procedure (SSP), and the Maternal Behavioral Q-Set (MBQS). We revisited fundamental questions in attachment theory and research by examining: (1) the level of intergenerational agreement between maternal attachment representations and infant attachment security, and (2) whether maternal sensitivity serves as an intergenerational mediator between adult and infant attachment security. Significant categorical matches between the AAI and the SSP as well as mean differences for MBQS scores between adult attachment secure-insecure groups were found. Consistent with earlier intergenerational research, maternal sensitivity only partially mediated the AAI-SSP link, indicating the transmission gap remains. Consistent with recent mediation studies, using more contemporary analytical techniques, it was confirmed that maternal sensitivity did mediate the direct pathway between AAI security and SSP security. Thus, the transmission gap appears somewhat different depending on the statistical method used to measure mediation. Post hoc analyses considered mothers' childhood experiences of separation/divorce and this helped make sense of intergenerational mismatches.

  13. Attachment and children's biased attentional processing: evidence for the exclusion of attachment-related information.

    Directory of Open Access Journals (Sweden)

    Eva Vandevivere

    Full Text Available Research in both infants and adults demonstrated that attachment expectations are associated with the attentional processing of attachment-related information. However, this research suffered from methodological issues and has not been validated across ages. Employing a more ecologically valid paradigm to measure attentional processes by virtue of eye tracking, the current study tested the defensive exclusion hypothesis in late childhood. According to this hypothesis, insecurely attached children are assumed to defensively exclude attachment-related information. We hypothesized that securely attached children process attachment- related neutral and emotional information in a more open manner compared to insecurely attached children. Sixty-two children (59.7% girls, 8-12 years completed two different tasks, while eye movements were recorded: task one presented an array of neutral faces including mother and unfamiliar women and task two presented the same with happy and angry faces. Results indicated that more securely attached children looked longer at mother's face regardless of the emotional expression. Also, they tend to have more maintained attention to mother's neutral face. Furthermore, more attachment avoidance was related to a reduced total viewing time of mother's neutral, happy, and angry face. Attachment anxiety was not consistently related to the processing of mother's face. Findings support the theoretical assumption that securely attached children have an open manner of processing all attachment-related information.

  14. Topological ring currents in the "empty" ring of benzo-annelated perylenes.

    Science.gov (United States)

    Dickens, Timothy K; Mallion, Roger B

    2011-01-27

    Cyclic conjugation in benzo-annelated perylenes is examined by means of the topological π-electron ring currents calculated for each of their constituent rings, in a study that is an exact analogy of a recent investigation by Gutman et al. based on energy-effect values for the corresponding rings in each of these structures. "Classical" approaches, such as Kekulé structures, Clar "sextet" formulas, and circuits of conjugation, predict that the central ring in perylene is "empty" and thus contributes negligibly to cyclic conjugation. However, conclusions from the present calculations of topological ring currents agree remarkably with those arising from the earlier study involving energy-effect values in that, contrary to what would be predicted from the classical approaches, rings annelated in an angular fashion relative to the central ring of these perylene structures materially increase the extent of that ring's involvement in cyclic conjugation. It is suggested that such close quantitative agreement between the predictions of these two superficially very different indices (energy effect and topological ring current) might be due to the fact that, ultimately, both depend, albeit in ostensibly quite different ways, only on an adjacency matrix that contains information about the carbon-carbon connectivity of the conjugated system in question.

  15. Sleep-inducing N-alkyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)cinnamamides.

    Science.gov (United States)

    Houlihan, W J; Gogerty, J H; Ryan, E A; Schmitt, G

    1985-01-01

    A series of N-alkyl-3-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)-cinnamamides were prepared and screened in a series of tests designed to detect potential sleep inducers. The more active members of the series were evaluated for their ability to induce sleep in Cebus monkeys. The most active compound, N-methyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinone, was equal to methaqualone.

  16. Synthesis, Fungicidal Activity and Mode of Action of 4-Phenyl-6-trifluoromethyl-2-aminopyrimidines against Botrytis cinerea

    Directory of Open Access Journals (Sweden)

    Chunhui Liu

    2016-06-01

    Full Text Available Anilinopyrimidines are the main chemical agents for management of Botrytis cinerea. However, the drug resistance in fungi against this kind of compounds is very serious. To explore new potential fungicides against B. cinerea, a series of 4-phenyl-6-trifluoromethyl-2-amino-pyrimidine compounds (compounds III-1 to III-22 were synthesized, and their structures were confirmed by 1H-NMR, IR and MS. Most of these compounds possessed excellent fungicidal activity. The compounds III-3 and III-13 showed higher fungicidal activity than the positive control pyrimethanil on fructose gelatin agar (FGA, and compound III-3 on potato dextrose agar (PDA indicated high activity compared to the positive control cyprodinil. In vivo greenhouse results indicated that the activity of compounds III-3, III-8, and III-11 was significantly higher than that of the fungicide pyrimethanil. Scanning electron micrography (SEM and transmission electron micrography (TEM were applied to illustrate the mechanism of title compounds against B. cinerea. The title compounds, especially those containing a fluorine atom at the ortho-position on the benzene ring, could maintain the antifungal activity against B. cinerea, but their mechanism of action is different from that of cyprodinil. The present study lays a good foundation for us to find more efficient reagents against B. cinerea.

  17. Hypochlorous acid turn-on boron dipyrromethene probe based on oxidation of methyl phenyl sulfide

    International Nuclear Information System (INIS)

    Liu, Shi-Rong; Vedamalai, Mani; Wu, Shu-Pao

    2013-01-01

    Graphical abstract: -- Highlights: •A BODIPY-based green fluorescent probe for sensing HOCl was developed. •The probe utilizes HOCl-promoted oxidation of methyl phenyl sulfide to produce a proportional fluorescence response to the concentration of HOCl. •Confocal fluorescence microscopy imaging of RAW264.7 cells demonstrated that the HCS probe might have application in the investigation of HOCl roles in biological systems. -- Abstract: A boron dipyrromethene (BODIPY)-based fluorometric probe, HCS, has been successfully developed for the highly sensitive and selective detection of hypochlorous acid (HOCl). The probe is based on the specific HOCl-promoted oxidation of methyl phenyl sulfide. The reaction is accompanied by a 160-fold increase in the fluorescent quantum yield (from 0.003 to 0.480). The fluorescent turn-on mechanism is accomplished by suppression of photoinduced electron transfer (PET) from the methyl phenyl sulfide group to BODIPY. The fluorescence intensity of the reaction between HOCl and HCS shows a good linearity in the HOCl concentration range 1–10 μM. The detection limit is 23.7 nM (S/N = 3). In addition, confocal fluorescence microscopy imaging using RAW264.7 macrophages demonstrates that the HCS probe could be an efficient fluorescent detector for HOCl in living cells

  18. Hypochlorous acid turn-on boron dipyrromethene probe based on oxidation of methyl phenyl sulfide

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shi-Rong; Vedamalai, Mani; Wu, Shu-Pao, E-mail: spwu@mail.nctu.edu.tw

    2013-10-24

    Graphical abstract: -- Highlights: •A BODIPY-based green fluorescent probe for sensing HOCl was developed. •The probe utilizes HOCl-promoted oxidation of methyl phenyl sulfide to produce a proportional fluorescence response to the concentration of HOCl. •Confocal fluorescence microscopy imaging of RAW264.7 cells demonstrated that the HCS probe might have application in the investigation of HOCl roles in biological systems. -- Abstract: A boron dipyrromethene (BODIPY)-based fluorometric probe, HCS, has been successfully developed for the highly sensitive and selective detection of hypochlorous acid (HOCl). The probe is based on the specific HOCl-promoted oxidation of methyl phenyl sulfide. The reaction is accompanied by a 160-fold increase in the fluorescent quantum yield (from 0.003 to 0.480). The fluorescent turn-on mechanism is accomplished by suppression of photoinduced electron transfer (PET) from the methyl phenyl sulfide group to BODIPY. The fluorescence intensity of the reaction between HOCl and HCS shows a good linearity in the HOCl concentration range 1–10 μM. The detection limit is 23.7 nM (S/N = 3). In addition, confocal fluorescence microscopy imaging using RAW264.7 macrophages demonstrates that the HCS probe could be an efficient fluorescent detector for HOCl in living cells.

  19. The Attachment Imperative

    DEFF Research Database (Denmark)

    Navne, Laura Emdal; Svendsen, Mette Nordahl; Gammeltoft, Tine

    2017-01-01

    on social relations and point to the productive aspects of practices of distance and detachment. We show that while the NICU upholds an imperative of attachment independently of the infant's chances of survival, for parents, attachment is contingent on certain hesitations in relation to their infant. We...... argue that there are nuances in practices of relationmaking in need of more attention (i.e., the nexus of attachment and detachment). Refraining from touching, holding, and feeding their infants during critical periods, the parents enact detachment as integral to their practices of attachment....... Such “cuts” in parent–infant relations become steps on the way to securing the infant's survival and making kin(ship). We conclude that although infants may be articulated as “maybe‐lives” by staff, in the NICU as well as in Danish society, the ideal of attachment appears to leave little room for “maybe‐parents.”...

  20. Vasodilator effects and putative guanylyl cyclase stimulation by 2-nitro-1-phenylethanone and 2-nitro-2-phenyl-propane-1,3-diol on rat aorta.

    Science.gov (United States)

    Vasconcelos, Thiago Brasileiro de; Ribeiro-Filho, Helder Veras; Lahlou, Saad; Pereira, José Geraldo de Carvalho; Oliveira, Paulo Sérgio Lopes de; Magalhães, Pedro Jorge Caldas

    2018-07-05

    Compounds containing a nitro group may reveal vasodilator properties. Several nitro compounds have a NO 2 group in a short aliphatic chain connected to an aromatic group. In this study, we evaluated in rat aorta the effects of two nitro compounds, with emphasis on a putative recruitment of the soluble guanylate cyclase (sGC) pathway to induce vasodilation. Isolated aortic rings were obtained from male Wistar rats to compare the effects induced by 2-nitro-1-phenylethanone (NPeth) or 2-nitro-2-phenyl-propane-1,3-diol (NPprop). In aortic preparations contracted with phenylephrine or KCl, NPeth and NPprop induced vasorelaxant effects that did not depend on the integrity of vascular endothelium. NPeth had a lesser vasorelaxant efficacy than NPprop and only the NPprop effects were inhibited by pretreatment with the sGC inhibitors, 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one (ODQ) or methylene blue. In an ODQ-preventable manner, NPprop inhibited the contractile component of the phenylephrine-induced response mediated by intracellular Ca 2+ release or by extracellular Ca 2+ recruitment through receptor- or voltage-operated Ca 2+ channels. In contrast, NPprop was inert against the transient contraction induced by caffeine in Ca 2+ -free medium. In an ODQ-dependent manner, NPprop inhibited the contraction induced by the protein kinase C activator phorbol 12,13-dibutyrate or by the tyrosine phosphatase inhibitor sodium orthovanadate. In silico docking analysis of a sGC homologous protein revealed preferential site for NPprop. In conclusion, the nitro compounds NPeth and NPprop induced vasorelaxation in rat aortic rings. Aliphatic chain substituents selectively interfered in the ability of these compounds to induce vasorelaxant effects, and only NPprop relaxed aortic rings via a sGC pathway. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. SYNTHESIS OF 1,2 FUSED SYSTEMS BASED ON THE 3-ARYLIDENE-5-PHENYL-1,2-DIHYDRO-3H-1,4- BENZODIAZEPINE-2-ONES

    Directory of Open Access Journals (Sweden)

    V. I. Pavlovsky

    2014-12-01

    Full Text Available By the reaction of 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-ones with Lawesson reagent, 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-tiones were synthesized from which 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines were obtained by the reaction with hydrazine hydrate. The condensation of 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines with triethylorthoformate (triethylorthoacetate or formic acid (acetic acid gave 4-arylidene-8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-а][1,4]-benzodiazepines. Latter were also synthesized by the reaction of 7-bromo-5-aryl-1,2-dihydro-3H-1,4-benzodiazepine-2-tiones with acetylhydrazine. 4-Arylidene-8-bromo-6-phenyl-4H-[1,2,3,4] tetrazolo[1,5-а][1,4]-benzodiazepines were obtained by the reaction of 3-arylidene-7-bromo-2-hydrazino-5-phenyl-3H-1,4-benzodiazepines with sodium nitrite.

  2. Kayser-Fleischer Rings

    Science.gov (United States)

    ... Support Contacts Lab Tracker/Copper Calculator Stories Programs & Research ... About Everything you need to know about Wilson Disease Kayser-Fleischer Rings Definition Kayser-Fleischer Ring: Clinical sign. Brownish-yellow ring visible around the corneo- ...

  3. Planetary Rings

    Science.gov (United States)

    Nicholson, P. D.

    2001-11-01

    A revolution in the studies in planetary rings studies occurred in the period 1977--1981, with the serendipitous discovery of the narrow, dark rings of Uranus, the first Voyager images of the tenuous jovian ring system, and the many spectacular images returned during the twin Voyager flybys of Saturn. In subsequent years, ground-based stellar occultations, HST observations, and the Voyager flybys of Uranus (1986) and Neptune (1989), as well as a handful of Galileo images, provided much additional information. Along with the completely unsuspected wealth of detail these observations revealed came an unwelcome problem: are the rings ancient or are we privileged to live at a special time in history? The answer to this still-vexing question may lie in the complex gravitational interactions recent studies have revealed between the rings and their retinues of attendant satellites. Among the four known ring systems, we see elegant examples of Lindblad and corotation resonances (first invoked in the context of galactic disks), electromagnetic resonances, spiral density waves and bending waves, narrow ringlets which exhibit internal modes due to collective instabilities, sharp-edged gaps maintained via tidal torques from embedded moonlets, and tenuous dust belts created by meteoroid impact onto parent bodies. Perhaps most puzzling is Saturn's multi-stranded, clumpy F ring, which continues to defy a simple explanation 20 years after it was first glimpsed in grainy images taken by Pioneer 11. Voyager and HST images reveal a complex, probably chaotic, dynamical interaction between unseen parent bodies within this ring and its two shepherd satellites, Pandora and Prometheus. The work described here reflects contributions by Joe Burns, Jeff Cuzzi, Luke Dones, Dick French, Peter Goldreich, Colleen McGhee, Carolyn Porco, Mark Showalter, and Bruno Sicardy, as well as those of the author. This research has been supported by NASA's Planetary Geology and Geophysics program and the

  4. The process of developing and changing of infant-teacher attachment : A study on an infant whose attachment to the first attachment figure is insecure

    OpenAIRE

    上田, 七生

    2003-01-01

    Toward infants whose attachment to their first attachment figures (mainly their mothers) is insecure, how can we intervene in them? To reveal it, an observation was carried out regularly once a week, over a period of 9 months. The subjects were an infant who has insecure attachment and comparative one who has secure attachment. And the attachment behaviors they exhibited toward nursery school teachers, strangers, and an observer were counted. The amount of the attachment behaviors of the infa...

  5. Phenyl vs Alkyl Polythiophene: A Solar Cell Comparison Using a Vinazene Derivative as Acceptor

    KAUST Repository

    Woo, Claire H.; Holcombe, Thomas W.; Unruh, David A.; Sellinger, Alan; Fréchet, Jean M. J.

    2010-01-01

    The solar cell performance of poly[3-(4-n-octyl)-phenylthiophene] (POPT) and poly(3hexylthiophene) (P3HT) are compared in devices using 4,7-bis(2-(l-(2-ethylhexyl)-4,5-dicyanoimidazol-2-yl)vinyi)benzo[c][l,2,5] -thiadiazole (EV-BT) as the electron acceptor. Despite their reduced light absorption, POPT:EV-BT devices generate higher photocurrents in both bilayer and bulk heterojunction (BHJ) architectures than analogous P3HT:EV-BT devices. Optimized POPT:EV-BT BHJ devices achieve 1.4% average efficiency, whereas the analogous P3HT devices only reach 1.1%. Morphology does not account for the large difference in performance as AFM studies of the active layer suggest, comparable levels of phase separation in the two systems. Reverse bias analysis demonstrates that P3HT devices have a higher maximum potential than POPT devices, but P3HT devices appear to be more severely limited by recombination losses under standard operating conditions. A possible explanation for the superior performance in POPT devices is that the pendant phenyl ring in POPT can twist out-of-plane and increase the separation distance with the acceptor molecule. A larger donor/acceptor separation distance can destabilize the geminate pair and lead to more efficient charge separation in POPT:EV-BT devices. Our results emphasize the importance of donor/acceptor pair interactions and its effect on charge separation, processes in polymer solar cells. © 2010 American Chemical Society.

  6. Phenyl vs Alkyl Polythiophene: A Solar Cell Comparison Using a Vinazene Derivative as Acceptor

    KAUST Repository

    Woo, Claire H.

    2010-03-09

    The solar cell performance of poly[3-(4-n-octyl)-phenylthiophene] (POPT) and poly(3hexylthiophene) (P3HT) are compared in devices using 4,7-bis(2-(l-(2-ethylhexyl)-4,5-dicyanoimidazol-2-yl)vinyi)benzo[c][l,2,5] -thiadiazole (EV-BT) as the electron acceptor. Despite their reduced light absorption, POPT:EV-BT devices generate higher photocurrents in both bilayer and bulk heterojunction (BHJ) architectures than analogous P3HT:EV-BT devices. Optimized POPT:EV-BT BHJ devices achieve 1.4% average efficiency, whereas the analogous P3HT devices only reach 1.1%. Morphology does not account for the large difference in performance as AFM studies of the active layer suggest, comparable levels of phase separation in the two systems. Reverse bias analysis demonstrates that P3HT devices have a higher maximum potential than POPT devices, but P3HT devices appear to be more severely limited by recombination losses under standard operating conditions. A possible explanation for the superior performance in POPT devices is that the pendant phenyl ring in POPT can twist out-of-plane and increase the separation distance with the acceptor molecule. A larger donor/acceptor separation distance can destabilize the geminate pair and lead to more efficient charge separation in POPT:EV-BT devices. Our results emphasize the importance of donor/acceptor pair interactions and its effect on charge separation, processes in polymer solar cells. © 2010 American Chemical Society.

  7. The synthesis and biological evaluation of new DNA-directed alkylating agents, phenyl N-mustard-4-anilinoquinoline conjugates containing a urea linker.

    Science.gov (United States)

    Marvania, Bhavin; Kakadiya, Rajesh; Christian, Wilson; Chen, Tai-Lin; Wu, Ming-Hsi; Suman, Sharda; Tala, Kiran; Lee, Te-Chang; Shah, Anamik; Su, Tsann-Long

    2014-08-18

    We synthesized a series of phenyl N-mustard-4-anilinoquinoline conjugates to study their antitumorigenic effects. These agents were prepared by the condensation of 4-[N,N-bis(2-chloroethyl)amino]phenyl isocyanate with 6-amino-4-methylamino or 4-anilinoquinolines. The structure-activity relationship (SAR) studies revealed that the C2-methylquinoline derivatives (18a-o) were generally more cytotoxic than the C2-phenylquinoline conjugates (23a-d) in inhibiting the cell growth of various human tumor cell lines in vitro. However, the methylamino or aniline substituents at C4 of quinoline did not influence the cytotoxic effects. The title conjugates were capable of inducing DNA cross-linking and promoting cell-cycle arrest at the G2/M phase. This study demonstrates that phenyl N-mustard-4-anilinoquinoline conjugates are generally more potent than phenyl N-mustard-4-anilinoquinazoline conjugates against the cell growth of various tumor cell-lines. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  8. The relation of infant attachment to attachment and cognitive and behavioural outcomes in early childhood.

    Science.gov (United States)

    Ding, Yan-hua; Xu, Xiu; Wang, Zheng-yan; Li, Hui-rong; Wang, Wei-ping

    2014-09-01

    In China, research on the relation of mother-infant attachment to children's development is scarce. This study sought to investigate the relation of mother-infant attachment to attachment, cognitive and behavioural development in young children. This study used a longitudinal study design. The subjects included healthy infants (n=160) aged 12 to 18 months. Ainsworth's "Strange Situation Procedure" was used to evaluate mother-infant attachment types. The attachment Q-set (AQS) was used to evaluate the attachment between young children and their mothers. The Bayley scale of infant development-second edition (BSID-II) was used to evaluate cognitive developmental level in early childhood. Achenbach's child behaviour checklist (CBCL) for 2- to 3-year-olds was used to investigate behavioural problems. In total, 118 young children (73.8%) completed the follow-up; 89.7% of infants with secure attachment and 85.0% of infants with insecure attachment still demonstrated this type of attachment in early childhood (κ=0.738, pInfants with insecure attachment collectively exhibited a significantly lower mental development index (MDI) in early childhood than did infants with secure attachment, especially the resistant type. In addition, resistant infants were reported to have greater social withdrawal, sleep problems and aggressive behaviour in early childhood. There is a high consistency in attachment development from infancy to early childhood. Secure mother-infant attachment predicts a better cognitive and behavioural outcome; whereas insecure attachment, especially the resistant attachment, may lead to a lower cognitive level and greater behavioural problems in early childhood. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Oxidation of phenyl alanine by pyridinium chlorochromate in acidic DMF–water medium: A kinetic study

    Directory of Open Access Journals (Sweden)

    B.L. Hiran

    2016-11-01

    Full Text Available The kinetics of oxidation of phenyl alanine by pyridinium chlorochromate in DMF–water (70:30% mixture in presence of perchloric acid leads to the formation of corresponding aldehyde. The reaction is of first order each in [PCC], [HClO4] and [AA]. Michaelis–Menten type kinetics was observed with phenyl alanine. The reaction rates were determined at different temperatures [25, 30, 35, 40, 45, 50 °C] and the activation parameters were calculated. The reaction does not induce polymerization of acrylonitrile. With an increase in the amount of DMF in its aqueous mixture, the rate increases. A suitable mechanism for the reaction was postulated.

  10. Synthesis, studies and in-vitro antibacterial activity of N-substituted 5-(furan-2-yl-phenyl pyrazolines

    Directory of Open Access Journals (Sweden)

    Mamta Rani

    2015-03-01

    Full Text Available Novel compounds with antibacterial properties: pyrazoline derivatives were synthesized by the cyclization of various -1-[2-(alkoxyphenyl]-3-(furan-2-yl prop-2-en-1-one 1a–1d with N-substituted phenyl hydrazine in the presence of CH3COOH in ethanol. The structures of these compounds were elucidated by, IR, 1H NMR, 13C NMR, ESI-MS spectral data and their purities were confirmed by elemental analyses. The in vitro antibacterial activity of these compounds was evaluated against two Gram-positive and two Gram-negative bacteria Aeromonas hydrophila, Yersinia enterocolitica, Listeria monocytogenes, and Staphylococcus aureus by microdilution method and then the minimum inhibitory concentration (MIC of compounds were determined. The results showed that compounds (5R-5-(furan-2-yl-1-phenyl-3-[2-(benzyloxyphenyl]-4, 5-dihydro-1H-pyrazole (2b and (5R-5-(furan-2-yl-1-phenyl-3-[2-(naphthalen-2-ylmethoxy prop-2-en-1-yloxyphenyl]-4,5-dihydro-1H-pyrazole (2d showing most promising antibacterial activities as compared to Gentamicin and Tetracycline are given.

  11. Synthesis of 2-iodo- and 2-phenyl-[11C]melatonin: potential PET tracers for melatonin binding sites

    International Nuclear Information System (INIS)

    Chen Jiajun; Fiehn-Schulze, Brita; Firnau, Guenter; Brough, Paul A.; Snieckus, Victor

    1998-01-01

    Two 11 C-labelled melatonin derivatives, 2-iodo-[ 11 C]melatonin (2-iodo-5-methoxy-N[ 11 C-acetyl]-tryptamine, an agonist) and 2-phenyl-[ 11 C]melatonin (2-phenyl-5-methoxy-N[ 11 C-acetyl]tryptamine, a putative antagonist) were synthesized from [ 11 C]carbon dioxide. The reaction sequence was common to both compounds and consisted of three steps: (i) carbonylation of methyl magnesium bromide with [ 11 C]carbon dioxide, (ii) conversion of the adduct to [ 11 C]acetyl chloride, (iii) acetylation of the amine precursors (2-iodo-5-methoxy-tryptamine or 2-phenyl-5-methoxy-tryptamine) with [ 11 C]acetyl chloride. The precursors were especially prepared. The radiochemical yield was 19% for 2-iodomelatonin and 32% for 2-phenymelatonin, based on [ 11 C]carbon dioxide; the specific activity ranged from 300 to 600 mCi/μmol. Both labelled 2-substituted-melatonins are intended to be used as radiotracers to study melatonin binding sites in man with positron emission tomography

  12. Sentence-Level Attachment Prediction

    Science.gov (United States)

    Albakour, M.-Dyaa; Kruschwitz, Udo; Lucas, Simon

    Attachment prediction is the task of automatically identifying email messages that should contain an attachment. This can be useful to tackle the problem of sending out emails but forgetting to include the relevant attachment (something that happens all too often). A common Information Retrieval (IR) approach in analyzing documents such as emails is to treat the entire document as a bag of words. Here we propose a finer-grained analysis to address the problem. We aim at identifying individual sentences within an email that refer to an attachment. If we detect any such sentence, we predict that the email should have an attachment. Using part of the Enron corpus for evaluation we find that our finer-grained approach outperforms previously reported document-level attachment prediction in similar evaluation settings.

  13. Enantioselective Diels-Alder Reaction Using Chiral Mg Complexes Derived from Chiral 2-[2-[(Alkyl- or 2-[2-[(Arylsulfonyl)amino]phenyl]-4-phenyl-1,3-oxazoline.

    Science.gov (United States)

    Ichiyanagi, Tsuyoshi; Shimizu, Makoto; Fujisawa, Tamotsu

    1997-11-14

    Magnesium complexes derived from (R)-2-[2-[(alkyl- or (R)-2-[2-[(arylsulfonyl)amino]phenyl]-4-phenyl-1,3-oxazolines and methylmagnesium iodide were found to be efficient Lewis acid catalysts for the Diels-Alder reaction of 3-alkenoyl-1,3-oxazolidin-2-one with cyclopentadiene. Chiral ligands were easily prepared from readily available D-phenylglycinol in good yields. The reaction of 3-acryloyl-1,3-oxazolidin-2-one with cyclopentadiene catalyzed by a stoichiometric amount of the Lewis acid gave exclusively the endo-cycloaddition product in up to 92% ee. The sulfonamide group on the chiral ligand strongly influenced the enantiofacial selectivity: the use of a toluene-, benzene-, 1- or 2-naphthalene-, or methanesulfonamide group in the chiral ligand gave the endo-(2R)-cycloaddition product, while a trifluoromethanesulfonamide group predominantly gave its enantiomer, the endo-(2S)-cycloaddition product, in 65% ee. The scope and limitations of the catalytic effect of chiral Mg(II) complexes on the enantioselectivity of the Diels-Alder reaction were investigated. The reaction mechanism of the Mg(II)-catalyzed reaction is also discussed on the basis of the experimental results.

  14. Synthesis, characterization, antimicrobial screening and computational studies of 4-[3-(4-methoxy-phenyl)-allylideneamino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

    Science.gov (United States)

    Obasi, L. N.; Kaior, G. U.; Rhyman, L.; Alswaidan, Ibrahim A.; Fun, Hoong-Kun; Ramasami, P.

    2016-09-01

    The Schiff base, 4-[3-(4-methoxy-phenyl)-allylideneamino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one (TPMC/AAP) was synthesized by the condensation of 4-aminoantipyrine (4-amino-1,5-dimethyl-2-phenylpyrazole-3-one) and trans-para-methoxycinnamaldehyde (trans-3,4-methoxyphenyl-2-propenal) in dry methanol at 75 °C. The compound was characterized using elemental microanalysis, IR, NMR, UV spectroscopies and single-crystal X-ray crystallography. The X-ray structure determination shows that the Schiff base, (TPMC/AAP) is orthorhombic with the Pbca space group. The anti-microbial screening of the compound was carried out with Escherichia coli, Bacillus subtillis, Staphylococcus aureus, Pseudemonas aeruginosa, Candida albicans and Aspergillus niger using agar well diffusion method. The Schiff base possesses significant antimicrobial activity. The minimum inhibitory concentration (MIC) of the compound was also determined and the activity was compared with that of conventional drugs ciprofloxacin and ketoconazole. The compound (TPMC/AAP) showed varying activity against the cultured bacteria and fungi used. To complement the experimental data, density functional theory (DFT) was used to have deeper understanding into the molecular parameters and infrared spectra of the compound.

  15. Preparation for electron ring - plasma ring merging experiments in RECE-MERGE

    International Nuclear Information System (INIS)

    Taggart, D.; Sekiguchi, A.; Fleischmann, H.H.

    1986-01-01

    The formation of a mixed-CT using relativistic electron rings and gun-produced plasma rings by MERGE-ing them axially is simulated. This process is similar to the axial stacking of relativistic electron rings in RECE-Christa. The results of their first plasm production experiment are reported here. After study of the gun-produced plasma's properties is completed, the gun will be mounted at the downstream end of the vacuum tank and the source of relativistic electron rings will be at the upstream end. The two rings, formed at opposite ends of the tank, will be translated axially and merged

  16. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Some tautomeric forms of pyridazinone were analyzedand the localized orbital locator maps, electron density maps, Fuzzy, Laplacian, and Mayer bond order methods showed dominant form. Different substituents, amine, chlorine, phenyl, methyl, hydrogen, substituted-phenyl, etc. on both the rings were chosen to search ...

  17. Belt attachment and system

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Abraham D.; Davidson, Erick M.

    2018-03-06

    Disclosed herein is a belt assembly including a flexible belt with an improved belt attachment. The belt attachment includes two crossbars spaced along the length of the belt. The crossbars retain bearings that allow predetermined movement in six degrees of freedom. The crossbars are connected by a rigid body that attaches to the bearings. Implements that are attached to the rigid body are simply supported but restrained in pitching rotation.

  18. Clinical decision - making review on magnetic attachments versus mechanical attachments in dental prosthetics

    Directory of Open Access Journals (Sweden)

    Francesca Fabiano

    2017-11-01

    Full Text Available Background Conventional dentures in edentulous patients show some limitations due to the lack of retention, support and stability thus resulting in difficulty to chew. The modern implantology allows to use different implant overdentures and different attachment systems. The selection of the attachment by practitioners is mainly influenced by the clinical experience or technical preferences. Aims The aim of the present review is to provide an adequate background to the clinicians, in order to select the prosthetic attachments according to the current literature. The mechanical attachments have been compared to the magnetic devices, with the aim to guide the decision of the practitioners. Methods Articles topics selection was based on the use of magnetic attachments in dentistry and the comparison between them and mechanical connectors. The databases used were PubMed/MEDLINE, Google Scholar and ISI Web of Science. A critical evaluation of the selected paper has been made to choose the ones that matched the inclusion criteria. Results Nowadays, few studies have compared different attachments in a manner useful for clinical decision-making. The main problem limiting long-term durability of magnetic attachments in the oral fluid is the poor corrosion resistance of permanent magnets and the consequent leaching of cytotoxic ions. Conclusion Magnetic attachments in comparison with other attaching systems can be useful in patients with special needs, in patients with limited interocclusal space, or in patients with neuromuscular limitations, thanks to the automatic reseating properties. However, it’s important to highlight that the mechanical attachments still represent the best choice in common conditions requiring dental prostheses.

  19. Phosphorescence Tuning through Heavy Atom Placement in Unsymmetrical Difluoroboron β-Diketonate Materials.

    Science.gov (United States)

    Liu, Tiandong; Zhang, Guoqing; Evans, Ruffin E; Trindle, Carl O; Altun, Zikri; DeRosa, Christopher A; Wang, Fang; Zhuang, Meng; Fraser, Cassandra L

    2018-02-06

    Difluoroboron β-diketonates (BF 2 bdks) show both fluorescence (F) and room-temperature phosphorescence (RTP) when confined to a rigid matrix, such as poly(lactic acid). These materials have been utilized as optical oxygen sensors (e.g., in tumors, wounds, and cells). Spectral features include charge transfer (CT) from the major aromatic donor to the dioxaborine acceptor. A series of naphthyl-phenyl dyes (BF 2 nbm) (1-6) were prepared to test heavy-atom placement effects. The BF 2 nbm dye (1) was substituted with Br on naphthyl (2), phenyl (3), or both rings (4) to tailor the fluorescence/phosphorescence ratio and RTP lifetime-important features for designing O 2 sensing dyes by means of the heavy atom effect. Computational studies identify the naphthyl ring as the major donor. Thus, Br substitution on the naphthyl ring produced greater effects on the optical properties, such as increased RTP intensity and decreased RTP lifetime compared to phenyl substitution. However, for electron-donating piperidyl-phenyl dyes (5), the phenyl aromatic is the major donor. As a result, Br substitution on the naphthyl ring (6) did not alter the optical properties significantly. Experimental data and computational modeling show the importance of Br position. The S 1 and T 1 states are described by two singly occupied MOs (SOMOs). When both of these SOMOs have substantial amplitude on the heavy atom, passage from S 1 to T 1 and emission from T 1 to S 0 are both favored. This shortens the excited-state lifetimes and enhances phosphorescence. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Compact light-emitting diode lighting ring for video-assisted thoracic surgery.

    Science.gov (United States)

    Lu, Ming-Kuan; Chang, Feng-Chen; Wang, Wen-Zhe; Hsieh, Chih-Cheng; Kao, Fu-Jen

    2014-01-01

    In this work, a foldable ring-shaped light-emitting diode (LED) lighting assembly, designed to attach to a rubber wound retractor, is realized and tested through porcine animal experiments. Enabled by the small size and the high efficiency of LED chips, the lighting assembly is compact, flexible, and disposable while providing direct and high brightness lighting for more uniform background illumination in video-assisted thoracic surgery (VATS). When compared with a conventional fiber bundle coupled light source that is usually used in laparoscopy and endoscopy, the much broader solid angle of illumination enabled by the LED assembly allows greatly improved background lighting and imaging quality in VATS.

  1. Compact light-emitting diode lighting ring for video-assisted thoracic surgery

    Science.gov (United States)

    Lu, Ming-Kuan; Chang, Feng-Chen; Wang, Wen-Zhe; Hsieh, Chih-Cheng; Kao, Fu-Jen

    2014-10-01

    In this work, a foldable ring-shaped light-emitting diode (LED) lighting assembly, designed to attach to a rubber wound retractor, is realized and tested through porcine animal experiments. Enabled by the small size and the high efficiency of LED chips, the lighting assembly is compact, flexible, and disposable while providing direct and high brightness lighting for more uniform background illumination in video-assisted thoracic surgery (VATS). When compared with a conventional fiber bundle coupled light source that is usually used in laparoscopy and endoscopy, the much broader solid angle of illumination enabled by the LED assembly allows greatly improved background lighting and imaging quality in VATS.

  2. A novel inorganic-organic compound: Synthesis and structural characterization of tin(II) phenylbis(phosphonate), Sn2(PO3C6H4PO3)

    International Nuclear Information System (INIS)

    Subbiah, Ayyappan; Bhuvanesh, Nattamai; Clearfield, Abraham

    2005-01-01

    A novel tin(II) phenylbis(phosphonate) compound has been synthesized hydrothermally and its structure has been determined by single crystal X-ray diffraction. The structure is monoclinic, space group P2 1 /c (no. 14), a=4.8094(4), b=16.2871(13), c=6.9107(6)A; β=106.292(6) o , V=519.59(7)A 3 , Z=2. The three-dimensional structure consists of 3-coordinated tin and 4-coordinated phosphorus double layers separated (pillared) by phenyl rings. These phenyl rings are placed 4.8A apart along the a-axis in the structure resulting in lower surface area (∼14m 2 /g). The porosity has been increased by replacing phenyl groups by methyl groups (∼31m 2 /g)

  3. ATTACHMENT AND TRANSFER

    OpenAIRE

    Pasare, Daniela

    2011-01-01

    Bowlby's concept of attachment and Freud's concept of transference are two of the most influential theories of how we construct mental representations of human relationships. The attachment’s theory offers one more strategy for the therapeutic approach. Factors that lead to a secure attachment between mother and child may also be applied to the relationship between patient and psychotherapist. Psychotherapy may help a patient create himself new attachment and relationship patterns. Creating a...

  4. Attachment is a dynamic system

    Directory of Open Access Journals (Sweden)

    Zlatka Cugmas

    2003-04-01

    Full Text Available On the basis of the study of recent scientific literature about the development of attachment, the author answers the following questions: which are the postulates the theory of attachment has about the stability of the patterns of attachment, which level of stability in the patterns of attachment from infancy to adulthood these studies illuminate and which factors significantly influence the (instability of the patterns of attachment in time. The theory of attachment assumes that normal circumstances elicit stability. Changes, however, can be the result of important events influencing the sensitivity of the object of attachment. Agreement has not yet been reached regarding the percentage of stability in the patterns of attachment. There is more agreement regarding attachment in adulthood than that in childhood. The results depend on the size and characteristics of the subjects of the research, the measuring instruments, type of data analysis etc. The author concludes that attachment is a dynamic system influenced by significant changes in life (the cognitive development of the child, external care, parents' divorce, different stressful situations. As the influence of stressful events on the individual person' s quality of attachment is examined, it is necessary to consider also his/her temperamental characteristics, role of other people in their lives, etc.

  5. Ring faults and ring dikes around the Orientale basin on the Moon.

    Science.gov (United States)

    Andrews-Hanna, Jeffrey C; Head, James W; Johnson, Brandon; Keane, James T; Kiefer, Walter S; McGovern, Patrick J; Neumann, Gregory A; Wieczorek, Mark A; Zuber, Maria T

    2018-08-01

    The Orientale basin is the youngest and best-preserved multiring impact basin on the Moon, having experienced only modest modification by subsequent impacts and volcanism. Orientale is often treated as the type example of a multiring basin, with three prominent rings outside of the inner depression: the Inner Rook Montes, the Outer Rook Montes, and the Cordillera. Here we use gravity data from NASA's Gravity Recovery and Interior Laboratory (GRAIL) mission to reveal the subsurface structure of Orientale and its ring system. Gradients of the gravity data reveal a continuous ring dike intruded into the Outer Rook along the plane of the fault associated with the ring scarp. The volume of this ring dike is ~18 times greater than the volume of all extrusive mare deposits associated with the basin. The gravity gradient signature of the Cordillera ring indicates an offset along the fault across a shallow density interface, interpreted to be the base of the low-density ejecta blanket. Both gravity gradients and crustal thickness models indicate that the edge of the central cavity is shifted inward relative to the equivalent Inner Rook ring at the surface. Models of the deep basin structure show inflections along the crust-mantle interface at both the Outer Rook and Cordillera rings, indicating that the basin ring faults extend from the surface to at least the base of the crust. Fault dips range from 13-22° for the Cordillera fault in the northeastern quadrant, to 90° for the Outer Rook in the northwestern quadrant. The fault dips for both outer rings are lowest in the northeast, possibly due to the effects of either the direction of projectile motion or regional gradients in pre-impact crustal thickness. Similar ring dikes and ring faults are observed around the majority of lunar basins.

  6. A series of structurally simple chloroquine chemosensitizing dibemethin derivatives that inhibit chloroquine transport by PfCRT.

    Science.gov (United States)

    Zishiri, Vincent K; Hunter, Roger; Smith, Peter J; Taylor, Dale; Summers, Robert; Kirk, Kiaran; Martin, Rowena E; Egan, Timothy J

    2011-05-01

    A series of 12 new dibemethin (N-benzyl-N-methyl-1-phenylmethanamine) derivatives bearing an N-aminomethyl group attached to the one phenyl ring and an H, Cl, OCH3 or N(CH3)2 group on the other have been synthesized. These compounds all showed strong chloroquine chemosensitizing activity, comparable to verapamil, when present at 1 μM in an in vitro culture of the chloroquine-resistant W2 strain of the human malaria parasite, Plasmodium falciparum. Their N-formylated derivatives also exhibited resistance-reversing activity, but only at substantially higher IC10 concentrations. A number of the dibemethin derivatives were shown to inhibit chloroquine transport via the parasite's 'chloroquine resistance transporter' (PfCRT) in a Xenopus laevis oocyte expression system. The reduced resistance-reversing activity of the formylated compounds relative to their free amine counterparts can probably be ascribed to two factors: decreased accumulation of the formylated dibemethins within the parasite's internal digestive vacuole (believed to be the site of action of chloroquine), and a reduced ability to inhibit PfCRT. The resistance-reversing activity of the compounds described here demonstrates that the amino group need not be attached to the two aromatic rings via a three or four carbon chain as has been suggested by previous QSAR studies. These compounds may be useful as potential side chains for attaching to a 4,7-dichloroquinoline group in order to generate new resistance-reversing chloroquine analogues with inherent antimalarial activity. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

  7. The Multimodal Assessment of Adult Attachment Security: Developing the Biometric Attachment Test.

    Science.gov (United States)

    Parra, Federico; Miljkovitch, Raphaële; Persiaux, Gwenaelle; Morales, Michelle; Scherer, Stefan

    2017-04-06

    Attachment theory has been proven essential for mental health, including psychopathology, development, and interpersonal relationships. Validated psychometric instruments to measure attachment abound but suffer from shortcomings common to traditional psychometrics. Recent developments in multimodal fusion and machine learning pave the way for new automated and objective psychometric instruments for adult attachment that combine psychophysiological, linguistic, and behavioral analyses in the assessment of the construct. The aim of this study was to present a new exposure-based, automatic, and objective adult-attachment assessment, the Biometric Attachment Test (BAT), which exposes participants to a short standardized set of visual and music stimuli, whereas their immediate reactions and verbal responses, captured by several computer sense modalities, are automatically analyzed for scoring and classification. We also aimed to empirically validate two of its assumptions: its capacity to measure attachment security and the viability of using themes as placeholders for rotating stimuli. A total of 59 French participants from the general population were assessed using the Adult Attachment Questionnaire (AAQ), the Adult Attachment Projective Picture System (AAP), and the Attachment Multiple Model Interview (AMMI) as ground truth for attachment security. They were then exposed to three different BAT stimuli sets, whereas their faces, voices, heart rate (HR), and electrodermal activity (EDA) were recorded. Psychophysiological features, such as skin-conductance response (SCR) and Bayevsky stress index; behavioral features, such as gaze and facial expressions; as well as linguistic and paralinguistic features, were automatically extracted. An exploratory analysis was conducted using correlation matrices to uncover the features that are most associated with attachment security. A confirmatory analysis was conducted by creating a single composite effects index and by testing it

  8. Fluorinated tolane and dioxane liquid crystals for ferroelectric display applications

    International Nuclear Information System (INIS)

    Chu Chuan Dong

    1994-05-01

    prepared. The dialkyl homologue was non-mesomorphic, while the alkyl-alkoxy homologue possessed a monotropic smectic A phase. Two difluorobiphenyl dioxaborinanes were prepared, which possessed smectic C and nematic phases. The introduction of different linking groups resulted in changes of mesogenic behaviour to various degrees. The chirally substituted phenyl alkanoates possessed smectic C* phases, while the chirally substituted benzoates showed only orthogonal smectic A* phases. Introduction of a methyl group in a position vicinal to the first chiral centre to form a second chiral centre had additive effect. Electrooptic studies on difluorobiphenyl dioxane mixtures were carried out and the results were compared with five other groups of mixtures based on different core systems (phenylpyrimidine, fluorinated ester, ester-linked phenylcyclohexyl, difluoro- and monofluoro-terphenyls). The overall electro-optic properties of the difluorobiphenyl dioxanes were found to be the next best materials to the phenyl pyrimidines among the six most commonly used materials in display devices. 1-(4-Alkoxy-2,3-difluorophenyl)-2-(4-alkoxyphenyl)ethynes showed enantiotropic smectic C and nematic mesophases for the longer alkoxy chain homologues (n ≥ 9, m ≥ 7). When the ethynylene group was moved from between two benzene rings to a terminal aliphatic chain, both the smectic C and the nematic mesomorphic thermal stabilities were reduced. However, an enantiotropic smectic C mesophase was observed rather than the monotropic smectic C phase observed for the internal alkyne, as a consequence of the lower melting point. When the ethynylene linking group was attached to the fluorinated benzene ring, an orthogonal smectic A mesophase with a high thermal stability was observed. Smectic C and nematic mesophases were observed when the ethynylene linking group was attached to the non-fluorinated benzene ring. Three-ring compounds of 1-(2,3-difluorophenyl)-2-biphenylylethynes and 1

  9. Groups, rings, modules

    CERN Document Server

    Auslander, Maurice

    2014-01-01

    This classic monograph is geared toward advanced undergraduates and graduate students. The treatment presupposes some familiarity with sets, groups, rings, and vector spaces. The four-part approach begins with examinations of sets and maps, monoids and groups, categories, and rings. The second part explores unique factorization domains, general module theory, semisimple rings and modules, and Artinian rings. Part three's topics include localization and tensor products, principal ideal domains, and applications of fundamental theorem. The fourth and final part covers algebraic field extensions

  10. Saturn's Rings Edge-on

    Science.gov (United States)

    1995-01-01

    In one of nature's most dramatic examples of 'now-you see-them, now-you-don't', NASA's Hubble Space Telescope captured Saturn on May 22, 1995 as the planet's magnificent ring system turned edge-on. This ring-plane crossing occurs approximately every 15 years when the Earth passes through Saturn's ring plane.For comparison, the top picture was taken by Hubble on December 1, 1994 and shows the rings in a more familiar configuration for Earth observers.The bottom picture was taken shortly before the ring plane crossing. The rings do not disappear completely because the edge of the rings reflects sunlight. The dark band across the middle of Saturn is the shadow of the rings cast on the planet (the Sun is almost 3 degrees above the ring plane.) The bright stripe directly above the ring shadow is caused by sunlight reflected off the rings onto Saturn's atmosphere. Two of Saturn's icy moons are visible as tiny starlike objects in or near the ring plane. They are, from left to right, Tethys (slightly above the ring plane) and Dione.This observation will be used to determine the time of ring-plane crossing and the thickness of the main rings and to search for as yet undiscovered satellites. Knowledge of the exact time of ring-plane crossing will lead to an improved determination of the rate at which Saturn 'wobbles' about its axis (polar precession).Both pictures were taken with Hubble's Wide Field Planetary Camera 2. The top image was taken in visible light. Saturn's disk appears different in the bottom image because a narrowband filter (which only lets through light that is not absorbed by methane gas in Saturn's atmosphere) was used to reduce the bright glare of the planet. Though Saturn is approximately 900 million miles away, Hubble can see details as small as 450 miles across.The Wide Field/Planetary Camera 2 was developed by the Jet Propulsion Laboratory and managed by the Goddard Spaced Flight Center for NASA's Office of Space Science.This image and other images and

  11. Measuring Patients’ Attachment Avoidance in Psychotherapy: Development of the Attachment Avoidance in Therapy Scale (AATS

    Directory of Open Access Journals (Sweden)

    András Láng

    2012-11-01

    Full Text Available A new scale measuring patient-therapist attachment avoidance was developed. Attachment Avoidance in Therapy Scale is a new measure based on the Bartholomew model of adult attachment (Bartholomew & Horowitz, 1991 and the Experience in Close Relationships Scale (Brennan, Clark, & Shaver, 1998 to measure patients’ attachment avoidance towards therapists. With 112 patient-therapist dyads participating in the study, validation of a preliminary scale – measuring both attachment anxiety and attachment avoidance in therapy – took place using therapists’ evaluations of patients’ relational behavior and patients’ self-reports about their attitude toward psychotherapy. Analysis of the data revealed six underlying scales. Results showed all six scales to be reliable. Validation of scales measuring attachment anxiety failed. The importance of Attachment Avoidance in Therapy Scale and its subscales is discussed.

  12. The Rotating Ring-Ring Electrode. Theory and Experiment

    NARCIS (Netherlands)

    Kuiken, H.K.; Bakkers, E.P.A.M.; Ligthart, H.; Kelly, J.J.

    2000-01-01

    A model is presented for the rotating ring-ring electrode. Although the electrode is defined by four characteristic lengths, it is shown that the collection efficiency depends on only two dimensionless parameters. A simple relationship between these and the corresponding parameters for the rotating

  13. Total Reflection X-ray Fluorescence attachment module modified for analysis in vacuum

    International Nuclear Information System (INIS)

    Wobrauschek, P.; Streli, C.; Kregsamer, P.; Meirer, F.; Jokubonis, C.; Markowicz, A.; Wegrzynek, D.; Chinea-Cano, E.

    2008-01-01

    Based on the design of the low cost Total Reflection X-Ray Fluorescence attachment module available since 1986 from Atominstitut (WOBRAUSCHEK-module) which can be attached to existing X-ray equipment, a new version was developed which allows the analysis of samples in vacuum. This design was in particular possible as the Peltier cooled light weight Silicon Drift Detector is following all adjustment procedures for total reflection as angle rotation and linear motion. The detector is mounted through a vacuum feed and O-ring tightening to the small vacuum chamber. The standard 30 mm round quartz, Si-wafer or Plexiglas reflectors are used to carry the samples. The reflectors are placed on the reference plane with the dried sample down looking facing in about 0.5 mm distance the up looking detector window. The reflectors are resting on 3 steel balls defining precisely the reference plane for the adjustment procedure. As the rotation axis of the module is in the plane of the reflector surface, angle dependent experiments can be made to distinguish between film and particulate type contamination of samples. Operating with a Mo anode at 50 kV and 40 mA with a closely attached multilayer monochromator and using a 10 mm 2 KETEK silicon drift detector with 8 μm Be window, a sensitivity of 70 cps/ng for Rb was measured and detection limits of 2 pg were obtained

  14. Crystal structures of (E-4-[1-(2-carbamothioylhydrazinylideneethyl]phenyl acetate and (E-4-[1-(2-carbamothioylhydrazinylideneethyl]phenyl benzoate

    Directory of Open Access Journals (Sweden)

    Vijayan Viswanathan

    2017-01-01

    Full Text Available In the title compounds, C11H13N3O2S, (I, and C16H15N3O2S, (II, the thiosemicarbazone group adopts an extended conformation. The acetate ester (I crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II, the planes of the two aryl rings are inclined to one another by 46.70 (7°. In both compounds, there is a short intramolecular N—H...N contact present, forming an S(5 ring motif. In the crystals of both compounds, molecules are linked via pairs of N—H...S hydrogen bonds, forming dimers with R22(8 ring motifs. The dimers are linked by N—H...S and N—H...O hydrogen bonds, forming slabs parallel to (01-1. In (I, there are N—H...π and C—H...π interactions present within the slabs, while in (II, there are only N—H...π interactions present.

  15. Synthesis and structure-activity relationship studies of furan-ring fused chalcones as antiproliferative agents.

    Science.gov (United States)

    Saito, Yusuke; Kishimoto, Maho; Yoshizawa, Yuko; Kawaii, Satoru

    2015-02-01

    As part of our continuing investigation of flavonoid derivatives as potential anticancer substances, the synthesis of 25 cinnamoyl derivatives of benzofuran as furan-fused chalcones was carried-out and these compounds were further evaluated for their antiproliferative activity towards HL60 promyelocytic leukemia cells. In comparison with 2',4'-dihydroxychalcone, attachment of a furan moiety on the A-ring enhanced activity by more than twofold. Benzofurans may be useful in the design of biologically active flavonoids. Copyright© 2015 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

  16. Electrochemical and Spin-Trapping Properties of para-substituted α-Phenyl-N-tert-butyl Nitrones

    International Nuclear Information System (INIS)

    Rosselin, Marie; Tuccio, Béatrice; Pério, Pierre; Villamena, Frederick A.; Fabre, Paul-Louis; Durand, Grégory

    2016-01-01

    Nitrones are known both as therapeutic antioxidants and efficient spin-traps. In this work, the redox behavior of various para-substituted α-phenyl-N-tert-butyl nitrones (PBN) was studied by cyclic voltammetry. The polar effect of the substituents was found to correlate with the electrochemical properties of the nitronyl function. Compounds bearing an electron-withdrawing group were more easily reduced than those having an electron-donating group and an opposite trend was observed for the oxidation. Ease of oxidation was also computationally rationalized using DFT approach showing increased ease of oxidation with electron donating functionalities. Since electrochemical properties of nitrones are known to correlate with biological properties, this work provides insights in the design of potent nitrone antioxidants. Using cyclic voltammetry the relative rate of superoxide trapping by nitrones was investigated and compared to the classical antioxidant BHT. The determination of the relative rate of phenyl radical trapping was also carried out but showed no clear correlation with the nature of the substituents. This indicates the absence of a polar effect in agreement with previous data and further supports the intermediate nature, that is, non- or weakly nucleophile, of phenyl radical. On the contrary kinetics of hydroxymethyl radical trapping was found to correlate with the nature of the substituents, demonstrating the nucleophilic nature of its addition onto nitrones.

  17. Wear Analysis of Top Piston Ring to Reduce Top Ring Reversal Bore Wear

    Directory of Open Access Journals (Sweden)

    P. Ilanthirayan

    2017-12-01

    Full Text Available The piston rings are the most important part in engine which controls the lubricating oil consumption and blowby of the gases. The lubricating film of oil is provided to seal of gases towards crankcase and also to give smooth friction free translatory motion between rings and liner. Of the three rings present top ring is more crucial as it does the main work of restricting gases downwards the crankcase. Boundary lubrication is present at the Top dead centre (TDC and Bottom dead centre (BDC of the liner surface. In addition to this, top ring is exposed to high temperature gases which makes the oil present near the top ring to get evaporated and decreasing its viscosity, making metal-metal contact most of the time. Due to this at TDC, excess wear happens on the liner which is termed as Top ring reversal bore wear. The wear rate depends upon many parameters such as lubrication condition, viscosity index, contact type, normal forces acting on ring, geometry of ring face, surface roughness, material property. The present work explores the wear depth for different geometries of barrel ring using Finite Element model with the help of Archard wear law and the same is validated through experimentation. The study reveals that Asymmetric barrel rings have less contact pressure which in turn reduces the wear at Top dead centre.

  18. Special Attachments. Module 19.

    Science.gov (United States)

    South Carolina State Dept. of Education, Columbia. Office of Vocational Education.

    This module on special attachments, one in a series dealing with industrial sewing machines, their attachments, and operation, covers four topics: gauges; cording attachment; zipper foot; and hemming, shirring, and binding. For each topic these components are provided: an introduction, directions, an objective, learning activities, student…

  19. PREFACE: Special section on vortex rings Special section on vortex rings

    Science.gov (United States)

    Fukumoto, Yasuhide

    2009-10-01

    This special section of Fluid Dynamics Research includes five articles on vortex rings in both classical and quantum fluids. The leading scientists of the field describe the trends in and the state-of-the-art development of experiments, theories and numerical simulations of vortex rings. The year 2008 was the 150th anniversary of 'vortex motion' since Hermann von Helmholtz opened up this field. In 1858, Helmholtz published a paper in Crelle's Journal which put forward the concept of 'vorticity' and made the first analysis of vortex motion. Fluid mechanics before that was limited to irrotational motion. In the absence of vorticity, the motion of an incompressible homogeneous fluid is virtually equivalent to a rigid-body motion in the sense that the fluid motion is determined once the boundary configuration is specified. Helmholtz proved, among other things, that, without viscosity, a vortex line is frozen into the fluid. This Helmholtz's law immediately implies the preservation of knots and links of vortex lines and its implication is enormous. One of the major trends of fluid mechanics since the latter half of the 20th century is to clarify the topological meaning of Helmholtz's law and to exploit it to develop theoretical and numerical methods to find the solutions of the Euler equations and to develop experimental techniques to gain an insight into fluid motion. Vortex rings are prominent coherent structures in a variety of fluid motions from the microscopic scale, through human and mesoscale to astrophysical scales, and have attracted people's interest. The late professor Philip G Saffman (1981) emphasized the significance of studies on vortex rings. One particular motion exemplifies the whole range of problems of vortex motion and is also a commonly known phenomenon, namely the vortex ring or smoke ring. Vortex rings are easily produced by dropping drops of one liquid into another, or by puffing fluid out of a hole, or by exhaling smoke if one has the skill

  20. Thioxanthone based 9-[2-(methyl-phenyl-amino)-acetyl]-thia-naphthacene-12-one as a visible photoinitiator

    Energy Technology Data Exchange (ETDEWEB)

    Doğruyol, Sevnur Keskin [Department of Chemistry, Yıldız Technical University, Davutpasa Campus, Esenler, 34220 Istanbul (Turkey); Doğruyol, Zekeriya [Department of Engineering Science, Istanbul University, 34850, Avcılar, Istanbul (Turkey); Arsu, Nergis, E-mail: narsu@yildiz.edu.tr [Department of Chemistry, Yıldız Technical University, Davutpasa Campus, Esenler, 34220 Istanbul (Turkey)

    2013-06-15

    Photoinitiators that operate in the visible range of the electromagnetic spectrum have widespread applications. Thioxanthone based 9-[2-(methyl-phenyl-amino)-acetyl]-thia-naphthacene-12-one (TX-MPA) was synthesized and the characterization of this initiator was confirmed by spectral analysis methods. TX-MPA has excellent absorption properties in the visible range (ε{sub 480} {sub nm}=3576 L/mol.cm). Photophysical studies; fluorescence quantum yield (φ{sub f}=0.22, DPA), phosphorescence lifetime (τ{sub p}=115 ms) and triplet lifetime (τ=190 ns) were explored. To explore the initiation mechanism of TX-MPA, besides the photophysical and photochemical studies, the polymer (PMMA) obtained from the photopolymerization studies was subjected to a phosphorescence study and τ{sub p} was found to be 105 ms compared to 115 ms for the initiator TX-MPA which proved attachment of the initiator to the polymer. Possibly both intermolecular and intramolecular hydrogen abstraction, occur during the initiation stage depending on the concentration of the initiator. Highlights: ► Synthesis and photophysical properties of a visible photoinitiator (TX-MPA) are proposed. ► TX-MPA has high molar absorption values in the visible region. ► TX-MPA can initiate photopolymerization of methylmethacrylate monomer under UV and sunlight. ► Inter or intramolecular hydrogen abstraction mechanisms occur depending on initiator concentration.

  1. Crystal structure of 3-{1′-[3,5-bis(trifluoromethylphenyl]ferrocenyl}-4-bromothiophene

    Directory of Open Access Journals (Sweden)

    Elisabeth A. Poppitz

    2014-10-01

    Full Text Available The molecular structure of the title compound, [Fe(C9H6BrS(C13H7F6], consists of a ferrocene backbone with a bis(trifluoromethylphenyl group at one cyclopentadienyl ring and a thiophene heterocycle at the other cyclopentadienyl ring. The latter is disordered over two sets of sites in a 0.6:0.4 ratio. In the crystal structure, intramolecular π–π interactions between the thienyl and the phenyl substituent [centroid–centroid distance 3.695 (4 Å] and additional weak T-shaped π–π interactions between the thienyl and the phenyl-substituted cyclopentadienyl ring [4.688 (6 Å] consolidate the crystal packing.

  2. From security to attachment : Mary Ainsworth's contribution to attachment theory

    NARCIS (Netherlands)

    Rosmalen, Lenette (Lenny) van

    2015-01-01

    Even though John Bowlby (1907-1990) is generally regarded as the founder of attachment theory, Mary Ainsworth’s (1913-1999) contribution is considerable and goes beyond the design of the Strange Situation Procedure and the introduction of maternal sensitivity as decisive for a secure attachment

  3. Radiation initiated polymerisation of phenyl methacrylate. [Gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Raghunath, S.; Rao, M.H.; Rao, K.N. (Bhabha Atomic Research Centre, Bombay (India). Chemistry Div.)

    1983-01-01

    Radiation initiated polymerisation of phenyl methacrylate has been studied at various dose rates and temperature. Predominant chain transfer to the monomer was observed and ksub(tran)/Ksub(p) the chain transfer constant ratio was found to be 4 x 10/sup -2/.ksub(p)/ksub(tsup(1/2)) value determined by the kinetic data and the molecular weight data were 0.0821 and 0.0198, respectively. IR studies of polymer at low conversion showed the presence of terminal unsaturation which disappeared at saturation conversion, thus showing its participation in the formation of a three dimensional network.

  4. Vortex rings

    CERN Document Server

    Akhmetov, D G

    2009-01-01

    This text on vortex rings covers their theoretical foundation, systematic investigations, and practical applications such as the extinction of fires at gushing oil wells. It pays special attention to the formation and motion of turbulent vortex rings.

  5. Evolutionarily conserved sites in yeast tropomyosin function in cell polarity, transport and contractile ring formation

    Directory of Open Access Journals (Sweden)

    Susanne Cranz-Mileva

    2015-08-01

    Full Text Available Tropomyosin is a coiled-coil protein that binds and regulates actin filaments. The tropomyosin gene in Schizosaccharomyces pombe, cdc8, is required for formation of actin cables, contractile rings, and polar localization of actin patches. The roles of conserved residues were investigated in gene replacement mutants. The work validates an evolution-based approach to identify tropomyosin functions in living cells and sites of potential interactions with other proteins. A cdc8 mutant with near-normal actin affinity affects patch polarization and vacuole fusion, possibly by affecting Myo52p, a class V myosin, function. The presence of labile residual cell attachments suggests a delay in completion of cell division and redistribution of cell patches following cytokinesis. Another mutant with a mild phenotype is synthetic negative with GFP-fimbrin, inferring involvement of the mutated tropomyosin sites in interaction between the two proteins. Proteins that assemble in the contractile ring region before actin do so in a mutant cdc8 strain that cannot assemble condensed actin rings, yet some cells can divide. Of general significance, LifeAct-GFP negatively affects the actin cytoskeleton, indicating caution in its use as a biomarker for actin filaments.

  6. 1,3-Dibenzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H-one

    Directory of Open Access Journals (Sweden)

    S. Dahmani

    2010-04-01

    Full Text Available The imidazopyridine fused-ring in the title compound, C20H16BrN3O, is planar (r.m.s. deviation = 0.011 Å. The phenyl rings of the benzyl substitutents twist away from the central five-membered ring in opposite directions; the rings are aligned at 61.3 (1 and 71.2 (1° with respect to this ring.

  7. Optimization of lipase-catalyzed enantioselective production of 1-phenyl 1-propanol using response surface methodology.

    Science.gov (United States)

    Soyer, Asli; Bayraktar, Emine; Mehmetoglu, Ulku

    2010-01-01

    Optically active 1-phenyl 1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. In this study, the enantioselective production of 1-phenyl 1-propanol was investigated systematically using response surface methodology (RSM). Before RSM was applied, the effects of the enzyme source, the type of acyl donor, and the type of solvent on the kinetic resolution of 1-phenyl 1-propanol were studied. The best results were obtained with Candida antartica lipase (commercially available as Novozym 435), vinyl laurate as the acyl donor, and isooctane as the solvent. In the RSM, substrate concentration, molar ratio of acyl donor to the substrate, amount of enzyme, temperature, and stirring rate were chosen as independent variables. The predicted optimum conditions for a higher enantiomeric excess (ee) were as follows: substrate concentration, 233 mM; molar ratio of acyl donor to substrate, 1.5; enzyme amount, 116 mg; temperature, 47 °C; and stirring rate, 161 rpm. A verification experiment conducted at these optimized conditions for maximum ee yielded 91% for 3 hr, which is higher than the predicted value of 83%. The effect of microwave on the ee was also investigated and ee reached 87% at only 5 min.

  8. FUZZY RINGS AND ITS PROPERTIES

    Directory of Open Access Journals (Sweden)

    Karyati Karyati

    2017-01-01

      One of algebraic structure that involves a binary operation is a group that is defined  an un empty set (classical with an associative binary operation, it has identity elements and each element has an inverse. In the structure of the group known as the term subgroup, normal subgroup, subgroup and factor group homomorphism and its properties. Classical algebraic structure is developed to algebraic structure fuzzy by the researchers as an example semi group fuzzy and fuzzy group after fuzzy sets is introduced by L. A. Zadeh at 1965. It is inspired of writing about semi group fuzzy and group of fuzzy, a research on the algebraic structure of the ring is held with reviewing ring fuzzy, ideal ring fuzzy, homomorphism ring fuzzy and quotient ring fuzzy with its properties. The results of this study are obtained fuzzy properties of the ring, ring ideal properties fuzzy, properties of fuzzy ring homomorphism and properties of fuzzy quotient ring by utilizing a subset of a subset level  and strong level  as well as image and pre-image homomorphism fuzzy ring.   Keywords: fuzzy ring, subset level, homomorphism fuzzy ring, fuzzy quotient ring

  9. Sexuality examined through the lens of attachment theory: attachment, caregiving, and sexual satisfaction.

    Science.gov (United States)

    Péloquin, Katherine; Brassard, Audrey; Lafontaine, Marie-France; Shaver, Phillip R

    2014-01-01

    Attachment researchers have proposed that the attachment, caregiving, and sexual behavioral systems are interrelated in adult love relationships (Mikulincer & Shaver, 2007 ). This study examined whether aspects of partners' caregiving (proximity, sensitivity, control, compulsive caregiving) mediated the association between their attachment insecurities (anxiety and avoidance) and each other's sexual satisfaction in two samples of committed couples (Study 1: 126 cohabiting or married couples from the general community; Study 2: 55 clinically distressed couples). Partners completed the Experiences in Close Relationships measure (Brennan, Clark, & Shaver, 1998 ), the Caregiving Questionnaire (Kunce & Shaver, 1994 ), and the Global Measure of Sexual Satisfaction (Lawrance & Byers, 1998 ). Path analyses based on the actor-partner interdependence model (APIM) revealed that caregiving proximity mediated the association between low attachment avoidance and partners' sexual satisfaction in distressed and nondistressed couples. Sensitivity mediated this association in nondistressed couples only. Control mediated the association between men's insecurities (attachment-related avoidance and anxiety) and their partners' low sexual satisfaction in nondistressed couples. Attachment anxiety predicted compulsive caregiving, but this caregiving dimension was not a significant mediator. These results are discussed in light of attachment theory and their implications for treating distressed couples.

  10. 4-Fluoro-N-methyl-N-(1,2,3,4-tetra-hydro-carbazol-3-yl)benzene-sulfonamide

    DEFF Research Database (Denmark)

    Rasmussen, Kaspar Gothardt; Ulven, Trond; Bond, Andrew D

    2009-01-01

    into layers containing the carbazole units and fluoro-phenyl rings in alternate (200) planes. The carbazole units form centrosymmetric face-to-face inter-actions [inter-planar separation = 4.06 (1) Å] and edge-to-face inter-actions in which the N-H group is directed towards an adjacent carbazole face......, with a shortest H⋯C contact of 2.53 Å. The fluoro-phenyl rings form face-to-face contacts with an approximate inter-planar separation of 3.75 Å and a centroid-centroid distance of 4.73 (1) Å....

  11. Infrared and ultraviolet spectroscopic studies of low-temperature radiolysis of ethylene - styrene copolymers

    International Nuclear Information System (INIS)

    Mal'tseva, A.P.; Golikov, V.P.; Leshchenko, S.S.; Karpov, V.L.

    1977-01-01

    Certain features of low-temperature radiolysis of statistic ethylene-styrene copolymers have been studied by infrared and ultraviolet spectroscopy. It is shown that the nature of the accumulation and decay of trans-vinylene, vinyl and vinylidene double bonds in an ethylene-styrene copolymer is essentially influenced by both the dose absorbed and copolymer composition. A suggestion is made that the ethylene-styrene copolymer is formed when structures are irradiated containing double bonds conjugated with the phenyl rings of styrene groups - which more effectively dissipate the absorbed energy than solitary phenyl rings

  12. Polarization Insensitivity in Double-Split Ring and Triple-Split Ring Terahertz Resonators

    International Nuclear Information System (INIS)

    Wu Qian-Nan; Lan Feng; Tang Xiao-Pin; Yang Zi-Qiang

    2015-01-01

    A modified double-split ring resonator and a modified triple-split ring resonator, which offer polarization-insensitive performance, are investigated, designed and fabricated. By displacing the two gaps of the conventional double-split ring resonator away from the center, the second resonant frequency for the 0° polarized wave and the resonant frequency for the 90° polarized wave become increasingly close to each other until they are finally identical. Theoretical and experimental results show that the modified double-split ring resonator and the modified triple-split ring resonator are insensitive to different polarized waves and show strong resonant frequency dips near 433 and 444 GHz, respectively. The results of this work suggest new opportunities for the investigation and design of polarization-dependent terahertz devices based on split ring resonators. (paper)

  13. New phenyl-ethanediols from the culture broth of Boletus edulis.

    Science.gov (United States)

    Yang, Wan-Qiu; Qin, Xiang-Dong; Shao, Hong-Jun; Fang, Li-Zhen; Wang, Fei; Ding, Zhi-Hui; Dong, Ze-Jun; Liu, Ji-Kai

    2007-04-01

    A new phenyl-ethanediol, (1S)-(4-acetylphenyl)-1, 2-ethanediol (1), and a new natural product, (1S)-(3-ethenylphenyl)-1, 2-ethanediol (2), were isolated from the culture broth of the basidiomycete Boletus edulis together with three related known compounds, 1-(4-ethylphenyl)-1, 2-ethanediol (3), 1-(3-ethylphenyl)-1, 2-ethanediol (4) and 1-(3-formylphenyl)-ethanone (5). Their structures were elucidated by spectroscopic methods including extensive 2D-NMR techniques.

  14. 40 CFR 721.5356 - Ethanol, 2,2′2″-nitrilotris-, compound with alpha-2,4,6-tris (1-phenylethyl)phenyl]-omega...

    Science.gov (United States)

    2010-07-01

    ...-, compound with alpha-2,4,6-tris (1-phenylethyl)phenyl]-omega-hydroxypoly (oxy-1,2-ethanediyl) phosphate. 721...]-omega-hydroxypoly (oxy-1,2-ethanediyl) phosphate. (a) Chemical substance and significant new uses... alpha-[2,4,6-tris(1-phenylethyl)phenyl]-omega-hydroxypoly (oxy-1,2-ethanediyl) phosphate (PMN P-98-185...

  15. Asimetric synthesis of alpha-phenyl amino acids; Sintesis asimetrica de alfa-fenilaminoacidos

    Energy Technology Data Exchange (ETDEWEB)

    Caltiviela, C.; Diaz de Villegas, M.D.; Galvez, J.A.; Lapena, Y. [Departamento de Quimica Organica, Universidad de Zaragoza, Zaragoza (Spain)

    1994-12-31

    A new synthetic strategy to obtain alpha-phenyl amino acids in enantiomerically pure form is described. The new route is based on the highly diastereoselective alkylation of (1S,2R,4R)-10-dicyclohexylsulfamoylisobornyl 2-phenylcianoacetate and subsequent curtis type rearrangement of the alkylated compound with total retention of configuration. 17 refs

  16. Synthesis of a new scintillator 2-phenyl-5(4-p-terphenylyl)Oxazole

    International Nuclear Information System (INIS)

    Dhane, D.L.; Gaiki, G.M.

    1979-01-01

    Friedel-Crafts reaction between hippuryl chloride and p-terphenyl gave benzoylaminomethyl-(4-p-terphenylyl) ketone (II) which on cyclodehydration gave hitherto unreported 2-phenyl-5-(4-p-terphenylyl) oxazole (I). IR, UV absorption and fluorescence spectra of I have been recorded. The performance of I as a scintillator solute has been tested. (auth.)

  17. Structural Interfaces and Attachments in Biology

    CERN Document Server

    Birman, Victor; Genin, Guy

    2013-01-01

    Attachment of dissimilar materials in engineering and surgical practice is a perennial challenge. Bimaterial attachment sites are common locations for injury, repeated injury, and mechanical failure. Nature presents several highly effective solutions to the challenge of bimaterial attachment that differ from those found in engineering practice. Structural Interfaces and Attachments in Biology describes the attachment of dissimilar materials from multiple perspectives. The text will simultaneously elucidate natural bimaterial attachments and outline engineering principles underlying successful attachments to the communities of tissue engineers and surgeons. Included an in-depth analysis of the biology of attachments in the body and mechanisms by which robust attachments are formed, a review of current concepts of attaching dissimilar materials in surgical practice and a discussion of bioengineering approaches that are currently being developed. This book also: Provides the first comprehensive treatment of phys...

  18. Substituted piperazines as nootropic agents: 2- or 3-phenyl derivatives structurally related to the cognition-enhancer DM235.

    Science.gov (United States)

    Guandalini, Luca; Martino, Maria Vittoria; Di Cesare Mannelli, Lorenzo; Bartolucci, Gianluca; Melani, Fabrizio; Malik, Ruchi; Dei, Silvia; Floriddia, Elisa; Manetti, Dina; Orlandi, Francesca; Teodori, Elisabetta; Ghelardini, Carla; Romanelli, Maria Novella

    2015-04-15

    A series of 2-phenyl- or 3-phenyl piperazines, structurally related to DM235 and DM232, two potent nootropic agents, have been prepared and tested in the mouse passive-avoidance test, to assess their ability to revert scopolamine-induced amnesia. Although the newly synthesized molecules were less potent than the parent compounds, some useful information has been obtained from structure-activity relationships. A small but significant enantioselectivity has been found for the most potent compound 5a. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  20. PREPARATION AND PROPERTIES OF THREE NEUTRAL COPPER (I COMPLEXES BASED ON BIS[2-(DIPHENYLPHOSPHINOPHENYL]ETHER PHENYL] ETHER AND SUBSTITUTED IMIDAZOLE-2,9-DIMETHYL-1,10-PHENANTHROLINE

    Directory of Open Access Journals (Sweden)

    Xin Fang Liu

    2017-10-01

    Full Text Available With deprotonated 2-(4-nitro phenyl-, 2-(4-methyl phenyl-, and 2-(4-methoxy phenyl imidazoled-2,9-dimethyl-1,10-phenanthroline (NPIP, MPIP and MoPIP as nitrogen ligands, as well as bis[2-(diphenylphosphino phenyl]ether (DPEphos as phosphorus ligand, three Cu(I neutral complex has been synthesized and characterized by infrared spectroscopy (IR, elemental analysis and 1H NMR methods. TG-DTA shows that the complex begins to decompose when the temperature reached about 220 oC, indicating their high thermo-stability. The emission spectrum shows that the complexes exhibit yellow emission with a peak emission wavelength of 576, 585 and 596 nm under excitation of 287 nm in powder state.

  1. Stirling engine piston ring

    Science.gov (United States)

    Howarth, Roy B.

    1983-01-01

    A piston ring design for a Stirling engine wherein the contact pressure between the piston and the cylinder is maintained at a uniform level, independent of engine conditions through a balancing of the pressure exerted upon the ring's surface and thereby allowing the contact pressure on the ring to be predetermined through the use of a preloaded expander ring.

  2. Physics of quantum rings

    International Nuclear Information System (INIS)

    Fomin, Vladimir M.

    2014-01-01

    Presents the new class of materials of quantum rings. Provides an elemental basis for low-cost high-performance devices promising for electronics, optoelectronics, spintronics and quantum information processing. Explains the physical properties of quantum rings to cover a gap in scientific literature. Presents the application of most advanced nanoengineering and nanocharacterization techniques. This book deals with a new class of materials, quantum rings. Innovative recent advances in experimental and theoretical physics of quantum rings are based on the most advanced state-of-the-art fabrication and characterization techniques as well as theoretical methods. The experimental efforts allow to obtain a new class of semiconductor quantum rings formed by capping self-organized quantum dots grown by molecular beam epitaxy. Novel optical and magnetic properties of quantum rings are associated with non-trivial topologies at the nanoscale. An adequate characterization of quantum rings is possible on the basis of modern characterization methods of nanostructures, such as Scanning Tunneling Microscopy. A high level of complexity is demonstrated to be needed for a dedicated theoretical model to adequately represent the specific features of quantum rings. The findings presented in this book contribute to develop low-cost high-performance electronic, spintronic, optoelectronic and information processing devices based on quantum rings.

  3. How does the blue-ringed octopus (Hapalochlaena lunulata) flash its blue rings?

    Science.gov (United States)

    Mäthger, Lydia M; Bell, George R R; Kuzirian, Alan M; Allen, Justine J; Hanlon, Roger T

    2012-11-01

    The blue-ringed octopus (Hapalochlaena lunulata), one of the world's most venomous animals, has long captivated and endangered a large audience: children playing at the beach, divers turning over rocks, and biologists researching neurotoxins. These small animals spend much of their time in hiding, showing effective camouflage patterns. When disturbed, the octopus will flash around 60 iridescent blue rings and, when strongly harassed, bite and deliver a neurotoxin that can kill a human. Here, we describe the flashing mechanism and optical properties of these rings. The rings contain physiologically inert multilayer reflectors, arranged to reflect blue-green light in a broad viewing direction. Dark pigmented chromatophores are found beneath and around each ring to enhance contrast. No chromatophores are above the ring; this is unusual for cephalopods, which typically use chromatophores to cover or spectrally modify iridescence. The fast flashes are achieved using muscles under direct neural control. The ring is hidden by contraction of muscles above the iridophores; relaxation of these muscles and contraction of muscles outside the ring expose the iridescence. This mechanism of producing iridescent signals has not previously been reported in cephalopods and we suggest that it is an exceptionally effective way to create a fast and conspicuous warning display.

  4. Attachment and psychosis

    NARCIS (Netherlands)

    Korver, N.

    2014-01-01

    The main goal of this thesis was to further our understanding of current psychosocial models by introducing attachment as a relevant developmental framework. Firstly, attachment theory provides a psychosocial model for a developmental pathway to psychosis. Secondly, after expression of psychotic

  5. Pulse radiolysis study on free radical scavenger edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one). 2: A comparative study on edaravone derivatives

    International Nuclear Information System (INIS)

    Hata, Kuniki; Katsumura, Yosuke; Lin, M.; Yamashita, Shinichi; Muroya, Yusa; Fu Haiying; Nakagawa, Hidehiko

    2011-01-01

    A comparative study using the pulse radiolysis technique was carried out to investigate transient absorption spectra and rate constants for the reactions of OH radical and N 3 radical with edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one) and its four analogue compounds, 1,3-dimethyl-2-pyrazolin-5-one, 3-methyl-1-(pyridin-2-yl)-2-pyrazolin-5-one, 1-phenyl-3-trifluoromethyl-2-pyrazolin-5-one and 1-(4-chlorophenyl)-3-methyl-2-pyrazolin-5-one. The results showed that, unlike reaction mechanisms previously proposed, the phenyl group of edaravone played an important role in the reaction with OH radical and OH adducts to the phenyl group were formed. Quantum chemical calculations also strongly supported this attribution and suggested that the most favorable site for attacks by OH radical is the ortho position of the phenyl group. Moreover, the rate constants for the reactions of edaravone and its analogues towards OH radical and N 3 radical were about 8.0 x 10 9 , and 4.0 x 10 9 dm 3 mol -1 s -1 , respectively. Edaravone displayed higher reactivity compared to the others, in contrast to a previous report in which 3-methyl-1-(pyridin-2-yl)-2-pyrazolin-5-one showed the highest reactivity towards Hydroxyl radical OH. (author)

  6. Crystal structures and conformations of two Diels–Alder adduct derivatives: 1,8-bis(thiophen-2-yl-14-oxatetracyclo[6.5.1.02,7.09,13]tetradeca-2(7,3,5-trien-10-one and 1,8-diphenyl-14-oxatetracyclo[6.5.1.02,7.09,13] tetradeca-2,4,6-trien-10-one

    Directory of Open Access Journals (Sweden)

    S. Gopinath

    2015-02-01

    Full Text Available The title compounds, C21H16O2S2 (I and C25H20O2 (II, are products of a tandem `pincer' Diels–Alder reaction consisting of [2 + 2] cycloadditions between benzo[c]furan and cyclopentanone. Each comprises a fused tetracyclic ring system containing two five-membered rings (in envelope conformations with the O atom as the flap and six-membered rings (in boat conformations. In addition, two thiophene rings in (I and two phenyl rings in (II are attached to the tetracyclic ring system. The cyclopentanone ring adopts a twisted conformation in (I and an envelope conformation in (II. In (I, the thiophene rings are positionally disordered over two sets of sites, with occupancy ratios of 0.901 (2:0.099 (2 and 0.666 (2:0.334 (2. In (II, the oxygen atom of the cyclopentanone ring is rotationally disordered over two sites with an occupancy ratio of 0.579 (4:0.421 (4. The molecular structure of (I is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(7 ring motif. In the crystal, the molecules are linked via weak C—H...O hydrogen bonds, which generate R22(16 ring motifs in (I and C(8 chains in (II. In both structures, the crystal packing also features C—H...π interactions. The crystal studied of compound (I was twinned by non-merohedry. The twin component is related by the twin law [−1 0 0 −0.101 1 −0.484 0 0 −1] operated by a twofold rotation axis parallel to the b axis. The structure of (I was refined with a twin scale factor of 0.275 (2.

  7. α-Skew π-McCoy Rings

    Directory of Open Access Journals (Sweden)

    Areej M. Abduldaim

    2013-01-01

    Full Text Available As a generalization of α-skew McCoy rings, we introduce the concept of α-skew π-McCoy rings, and we study the relationships with another two new generalizations, α-skew π1-McCoy rings and α-skew π2-McCoy rings, observing the relations with α-skew McCoy rings, π-McCoy rings, α-skew Armendariz rings, π-regular rings, and other kinds of rings. Also, we investigate conditions such that α-skew π1-McCoy rings imply α-skew π-McCoy rings and α-skew π2-McCoy rings. We show that in the case where R is a nonreduced ring, if R is 2-primal, then R is an α-skew π-McCoy ring. And, let R be a weak (α,δ-compatible ring; if R is an α-skew π1-McCoy ring, then R is α-skew π2-McCoy.

  8. Effect of Attachment-Based Therapy on Behavioral Disorders in Girls with Attachment Problems

    Directory of Open Access Journals (Sweden)

    Marzieh Jahanbakhsh

    2014-09-01

    Full Text Available Background: Multidimensional and complex nature of children`s behavioral disorders requires assessment and usage of modern treatments. The present study investigated the effects of attachment-based therapy on behavioral disorders (depression, over anxiety and oppositional defiant in girl students of primary school who had attachment problems. Materials and Methods: This study is an empirical plan with pretest-posttest and control group. The target samples were 34 individuals of 388 second and fourth grade students of primary school that had highest scores on attachment problems and behavioral disorders (depression, over anxiety and oppositional defiant. Evaluation implemented using Randolph attachment disorder questionnaire (RADQ and Ontario mental health test. Mothers were presented in 10 group sessions of attachment-based intervention and its effects investigated in their girl`s behavioral disorders (depression, over anxiety and oppositional defiant. Results: Reduction rate of behavioral disorders general scores (depression, over anxiety and oppositional defiant of experimental group compared with control group showed significant decreases in posttest and three months follow up. Conclusion: The attachment based therapy offered for mothers of the girls with attachment problems was effective to reduction of behavioral disorders (depression, over anxiety and oppositional defiant symptoms in their children and the mother`s continues attention to interventional methods showed more improvement in follow up evaluation.

  9. Migration of methyl and phenyl radicals, oxygen and sulphur atoms in certain diphenylthiophosphorane derivatives under electron impact

    International Nuclear Information System (INIS)

    Cauquis, G.; Divisia, B.; Ulrich, J.

    The fragmentation of various diphenylthiophosphoranes (Ph 2 P(S)R) subjected to electron impact gives rise to rearrangements dependent on the nature of the radical R. Migrations of phenyl or methyl radicals from phosphorus towards sulphur were thus observed for R=Ph, CH 3 , CH 2 Ph and NH 2 . When an electrophilic centre is formed, during a fragmentation, on a carbon in the α-position of the diphenylthiophosphoranyl radical, migrations of sulphur atoms and phenyl radicals take place from the phosphorus towards the carbon. This is found to be the case with certain fragmentations of diazo 5 and 6 compounds [fr

  10. Synthesis of optically active α-Methylstyrene-N- phenyl maleamic acid copolymer via asymmetric induction by 1-menthol

    International Nuclear Information System (INIS)

    Khettab, F. A.; Korshid, C. A.

    1998-01-01

    Copolymerization of α-methylstyrene with N-phenyl maleamic acid was studied in the presence and absence of 1-menthol, using 2,2 ' - azobis (isobutyronitrils) AIBN as initiator in toluene. The optically active copolymer is formed by the addition of 1-menthol of the copolymerization system. The observed optical activity is presumed to be due to asymmetry induced in the backbone of the copolymer by the chirality of 1-menthol. The influence of 1-menthol is considered to be caused by an electrostatic interaction between N-phenyl maleamic acid and the polar group of 1-menthol. (author). 9 refs., 1 fig., 4 tabs

  11. VUV optical ring resonator for Duke storage ring free electron laser

    Energy Technology Data Exchange (ETDEWEB)

    Park, S.H.; Litvinenko, V.N.; Madey, J.M.J. [Duke Univ., Durham, NC (United States)] [and others

    1995-12-31

    The conceptual design of the multifaceted-mirror ring resonator for Duke storage ring VUV FEL is presented. The expected performance of the OK-4 FEL with ring resonator is described. We discuss in this paper our plans to study reflectivity of VUV mirrors and their resistivity to soft X-ray spontaneous radiation from OK-4 undulator.

  12. Associations among Adult Attachment Presentations, Maternal Sensitivity, and Infant-Mother Attachment in a Sample of Adolescent Mothers.

    Science.gov (United States)

    Ward, Mary J.; Carlson, Elizabeth A.

    1995-01-01

    Associations among adolescent attachment organization, maternal sensitivity, and infant attachment organization were examined prospectively in 72 teenaged mother-infant dyads. Pregnant teenagers' attachment organizations predicted both sensitivity and infant-mother attachments. Associations between maternal sensitivity and infant attachment were…

  13. 5-Chloro-5′′-[4-(dimethylaminobenzylidene]-4′-[4-(dimethylaminophenyl]-1′,1′′-dimethyldispiro[indoline-3,2′-pyrrolidine-3′,3′′-piperidine]-2,4′′-dione

    Directory of Open Access Journals (Sweden)

    I. S. Ahmed Farag

    2014-01-01

    Full Text Available The title compound, C34H38ClN5O2, has spiro links connecting the pyrrolidine ring and indole residue, as well as the piperidine and pyrrolidine rings. A half-chair conformation is found for the piperidine ring with the C atom connected to the spiro-C atom lying 0.738 (4 Å out of the plane of the remaining five atoms (r.m.s. deviation = 0.0407 Å. The methylene C atom is the flap in the envelope conformation for the pyrrolidine ring. In the crystal, supramolecular chains are sustained by alternating eight-membered {...HNCO}2 and 14-membered {...HC5O}2 synthons. Chains are connected into a three-dimensional network by (pyrrolidine-bound phenyl-methylC—H...π(pyrrolidine-bound phenyl edge-to-face interactions.

  14. Interaction Region Design for a Ring-Ring LHeC

    CERN Document Server

    Thompson, L N S; Bernard, N R; Fitterer, M; Holzer, B; Klein, M; Kostka, P

    2011-01-01

    tively low energy and moderately high intensity provides high luminosity TeV-scale e-p collisions at one of the LHC interaction points, running simultaneously with existing experiments. Two designs are studied; an electron ring situated in the LHC tunnel, and an electron linac. The focus of this paper is on the ring design. Designing an e-p machine presents interesting accelerator physics and design challenges, particularly when considering the interaction region. These include coupled optics, beam separation and unconventional mini-beta focusing schemes. Designs are constrained by an array of interdependent factors, including beam-beam interaction, detector dimensions and acceptance, luminosity and synchrotron radiation. Methods of addressing these complex issues are discussed. The current designs for the LHeC Ring-Ring interaction region and long straight section are presented and discussed, in the context of the project goals and design challenges encountered. Future developments and work are also discusse...

  15. Attachment to the Romantic Partner and Sibling: Attachment Hierarchies of Twins and Non-Twin Siblings

    Directory of Open Access Journals (Sweden)

    Sascha Schwarz

    2015-12-01

    Full Text Available Previous studies have shown that romantic partners and siblings are important attachment figures. This study compares the attachment to the romantic partner with the attachment to the sibling as a function of the participant’s sibling type among monozygotic (MZ twins, dizygotic (DZ twins, and non-twin (NT siblings. The results show that MZ twins prefer their sibling to their romantic partner whereas DZ twins are equally attached to their sibling and romantic partner. In contrast, NT siblings are more attached to their romantic partner compared to their sibling. These results indicate that genetic relatedness has profound impact on a person’s attachment hierarchy and the relative rank of the romantic partner and the sibling.

  16. PHOTOPOLYMERIZATION INITIATED BY DIMETHYLAMINOCHALCONE/DIPHENYL-IODONIUM SALT COMBINATION SYSTEM SENSITIVE TO VISIBLE LIGHT

    Institute of Scientific and Technical Information of China (English)

    LI Jun; LI Miaozhen; SONG Huaihai; YANG Yongyuan; WANG Erjian

    1993-01-01

    Several dimethylamino-substituted chalcone (I.e.dimethylaminobenzal acetophenone) (DBA) derivatives with intramolecular charge transfer transition character were used as visible light sensitizers for radical photopolymerization initiated by iodonium salt (DPIO). Initiating radical species is produced from DBA sensitized photolysis of DPIO through the single electron transfer,accompanying the bleaching of DBA.The activity of DBA decreases as a function of substituent attached to phenyl ring in the order:DBA-2(OCH3)>DBA-1(H)>DBA-3(Cl).The kinetic study on photopolymerization of MMA was carried out in CH3CN solution at 30℃ by dilatometry.The polymerization rate was determined to be proportional to the concentration with exponents of 0.42,0.25 and 0.86 for DPIO,DBA-1and MMA,respectively.

  17. Antifouling phenyl ethers and other compounds from the invertebrates and their symbiotic fungi collected from the South China Sea.

    Science.gov (United States)

    Wang, Chao-Yi; Wang, Kai-Ling; Qian, Pei-Yuan; Xu, Ying; Chen, Min; Zheng, Juan-Juan; Liu, Min; Shao, Chang-Lun; Wang, Chang-Yun

    2016-12-01

    Marine organism-derived secondary metabolites are promising potential sources for discovering environmentally safe antifouling agents. In present study, 55 marine secondary metabolites and their synthesized derivatives were tested and evaluated for their antifouling activities and security. These compounds include 44 natural products isolated from marine invertebrates and their symbiotic microorganisms collected from the South China Sea and 11 structural modified products derived from the isolated compounds. The natural secondary metabolites, covering phenyl ether derivatives, terpenoids, 9, 11-secosteroids, anthraquinones, alkaloids, nucleoside derivatives and peptides, were isolated from two corals, one sponge and five symbiotic fungi. All of the isolated and synthesized compounds were tested for their antifouling activities against the cyprids of barnacle Balanus (Amphibalanus) amphitrite Darwin. Noticeably, five phenyl ether derivatives (9, 11, 13-15) exhibited potent anti-larval settlement activity with the EC 50 values lower than 3.05 μM and the LC 50 /EC 50 ratios higher than 15. The study of structure-activity relationship (SAR) revealed that the introduction of acetoxy groups and bromine atoms to phenyl ether derivatives could significantly improve their antifouling activities. This is the first report on the SAR of phenyl ether derivatives on antifouling activity against barnacle B. amphitrite. The polybrominated diphenyl ether derivative, 2, 4, 6, 2', 4', 6'-hexabromo-diorcinol (13), which displayed excellent antifouling activity, was considered as a promising candidate of environmentally friendly antifouling agents.

  18. Childhood Attachment to Pets: Associations between Pet Attachment, Attitudes to Animals, Compassion, and Humane Behaviour

    Directory of Open Access Journals (Sweden)

    Roxanne D. Hawkins

    2017-05-01

    Full Text Available Attachment to pets has an important role in children’s social, emotional, and cognitive development, mental health, well-being, and quality of life. This study examined associations between childhood attachment to pets and caring and friendship behaviour, compassion, and attitudes towards animals. This study also examined socio-demographic differences, particularly pet ownership and pet type. A self-report survey of over one thousand 7 to 12 year-olds in Scotland, UK, revealed that the majority of children are strongly attached to their pets, but attachment scores differ depending on pet type and child gender. Analysis revealed that attachment to pets is facilitated by compassion and caring and pet-directed friendship behaviours and that attachment to pets significantly predicts positive attitudes towards animals. The findings have implications for the promotion of prosocial and humane behaviour. Encouraging children to participate in pet care behaviour may promote attachment between children and their pet, which in turn may have a range of positive outcomes for both children (such as reduced aggression, better well-being, and quality of life and pets (such as humane treatment. This study enhances our understanding of childhood pet attachment and has implications for humane education and promoting secure emotional attachments in childhood.

  19. {2-[(4-Nitrobenzylideneamino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenylmethanone

    Directory of Open Access Journals (Sweden)

    Manpreet Kaur

    2014-06-01

    Full Text Available In the title compound, C22H18N2O3S, disorder is found in the benzoyl group (A and B, as well as for four C atoms of the cyclohexene ring. Two orientations were modeled in a 0.583 (5:0.417 (5 ratio. The cyclohexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thiophene ring and the 4-nitrobenzene and phenyl rings are 30.9 (8 and 64.8 (3 (A and 62.4 (7° (B. The mean planes of the 4-nitrobenzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1 (A and 83.9 (8° (B. An extensive array of weak C—H...O interactions consolidate molecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011.

  20. Gonococcal attachment to eukaryotic cells

    International Nuclear Information System (INIS)

    James, J.F.; Lammel, C.J.; Draper, D.L.; Brown, D.A.; Sweet, R.L.; Brooks, G.F.

    1983-01-01

    The attachment of Neisseria gonorrhoeae to eukaryotic cells grown in tissue culture was analyzed by use of light and electron microscopy and by labeling of the bacteria with [ 3 H]- and [ 14 C]adenine. Isogenic piliated and nonpiliated N. gonorrhoeae from opaque and transparent colonies were studied. The results of light microscopy studies showed that the gonococci attached to cells of human origin, including Flow 2000, HeLa 229, and HEp 2. Studies using radiolabeled gonococci gave comparable results. Piliated N. gonorrhoeae usually attached in larger numbers than nonpiliated organisms, and those from opaque colonies attached more often than isogenic variants from transparent colonies. Day-to-day variation in rate of attachment was observed. Scanning electron microscopy studies showed the gonococcal attachment to be specific for microvilli of the host cells. It is concluded that more N. gonorrhoeae from opaque colonies, as compared with isogenic variants from transparent colonies, attach to eukaryotic cells grown in tissue culture

  1. Concordance of attachment representations in preschool siblings assessed by the attachment story completion task

    OpenAIRE

    Werner, Helene; Zahn, Salome; Titze, Karl; Walitza, Susanne; Zulauf Logoz, Marina

    2015-01-01

    Several studies have indicated only a modest concordance of attachment security in siblings in infancy. Until now, very little was known about the concordance of siblings’ attachment security beyond infancy, as assessed by the attachment story completion task. This cross-sectional study aims to examine the concordance of attachment representations of 38 first-born (4–7 years) and 38 second-born (3–5 years) siblings living in middle-class two-parent families. Personality factors and the level ...

  2. Uniquely Strongly Clean Group Rings

    Institute of Scientific and Technical Information of China (English)

    WANG XIU-LAN

    2012-01-01

    A ring R is called clean if every element is the sum of an idempotent and a unit,and R is called uniquely strongly clean (USC for short) if every element is uniquely the sum of an idempotent and a unit that commute.In this article,some conditions on a ring R and a group G such that RG is clean are given.It is also shown that if G is a locally finite group,then the group ring RG is USC if and only if R is USC,and G is a 2-group.The left uniquely exchange group ring,as a middle ring of the uniquely clean ring and the USC ring,does not possess this property,and so does the uniquely exchange group ring.

  3. [The interpretation of attachment in the Szondi test and in the questionnaire processes of attachment theory].

    Science.gov (United States)

    Török I, András; Vincze, Gábor

    2011-01-01

    [corrected] The Szondi-test is widely applied in clinical diagnostics in Hungary too, and the evidence resulting from the theory is that we can get information about attachment during its interpreting. Its validity is proven by empirical research and clinical experiences. By analyzing the modern attachment theory more thoroughly, it becomes clear in what ways the Szondi-test constellations regarding attachment are different from the classificationbased on questionnaires, allowing the discrete measurement of the attachment style. With the Szondi-test the classification to attachment style is more insecure, but if it is completed with exploration, it is more informative in vector C (vector of relation, attachment information), while short questionnaires make the classification to attachment style possible. In our empirical analysis we represent the integration of the above mentioned clinical and theoretical experiences. In the present analysis we compare the vector C and S constellation of the two-profile Szondi-test of 80 persons with the dimensions of ECR-R questionnaire and with Collins and Read's questionnaire classification regarding attachment style. The statistical results refer to the fact that there is a legitimacy to compare questionnaire processes allowing the discrete classification of attachment and the Szondi-test's information content regarding attachment. With applying the methods together, we get a unique, complementary section of the information relating to attachment. Comparing the two methods (projective and questionnaire) establishes the need of theoretical integration as well. We also make an attempt to explain Fraley's evolutionary non-adaptivity of avoidant attachment, in the case of whose presence adaptivity of early attachment, counterbalancing the exploration and security need, and providing closeness--farness loses its balance.

  4. Influence of ring growth rate on damage development in hot ring rolling

    NARCIS (Netherlands)

    Wang, C.; Geijselaers, H. J.M.; Omerspahic, E.; Recina, V.; van den Boogaard, A. H.

    2015-01-01

    As an incremental forming process of bulk metal, ring rolling provides a cost effective process route to manufacture seamless rings. In the production of hot rolled rings, defects such as porosity can sometimes be found in high alloyed steel, manufactured from ingots having macro-segregation. For

  5. Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl-4-Phenyl-1,10-Phenanthroline Derivative Compounds

    Directory of Open Access Journals (Sweden)

    Nazudin

    2012-08-01

    Full Text Available A unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl-4-phenyl-1,10-phenanthroline (5 derivatives from 4-methoxy-benzaldehyde (1, acetophenone (2, and 8-aminoquinoline (4 with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1-N-methyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (6 and (1-N-ethyl-9-(4-methoxyphenyl-7-phenyl-1,10-phenanthrolinium sulfate (7 with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7 against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7.

  6. Attachment theory: progress and future directions.

    Science.gov (United States)

    Fearon, R M Pasco; Roisman, Glenn I

    2017-06-01

    Attachment is a key subfield in the area of parenting and parent-child relationships research. In this brief overview, we summarise what we consider to be the state-of-the-art of attachment research, focusing primarily on the nature and significance of attachment in infancy and early childhood. We review 4 major topics that are central issues in the scientific literature on attachment: (1) the role of the environment in the development of attachment, (2) the intergenerational transmission of patterns of attachment, (3) the stability of attachment patterns through early adulthood, and (4) the role of attachment in adjustment and maladjustment. We conclude by highlighting several critical unresolved issues and priorities for future research. Copyright © 2017. Published by Elsevier Ltd.

  7. The Light Field Attachment: Turning a DSLR into a Light Field Camera Using a Low Budget Camera Ring

    KAUST Repository

    Wang, Yuwang

    2016-11-16

    We propose a concept for a lens attachment that turns a standard DSLR camera and lens into a light field camera. The attachment consists of 8 low-resolution, low-quality side cameras arranged around the central high-quality SLR lens. Unlike most existing light field camera architectures, this design provides a high-quality 2D image mode, while simultaneously enabling a new high-quality light field mode with a large camera baseline but little added weight, cost, or bulk compared with the base DSLR camera. From an algorithmic point of view, the high-quality light field mode is made possible by a new light field super-resolution method that first improves the spatial resolution and image quality of the side cameras and then interpolates additional views as needed. At the heart of this process is a super-resolution method that we call iterative Patch- And Depth-based Synthesis (iPADS), which combines patch-based and depth-based synthesis in a novel fashion. Experimental results obtained for both real captured data and synthetic data confirm that our method achieves substantial improvements in super-resolution for side-view images as well as the high-quality and view-coherent rendering of dense and high-resolution light fields.

  8. Ring rotational speed trend analysis by FEM approach in a Ring Rolling process

    Science.gov (United States)

    Allegri, G.; Giorleo, L.; Ceretti, E.

    2018-05-01

    Ring Rolling is an advanced local incremental forming technology to fabricate directly precise seamless ring-shape parts with various dimensions and materials. In this process two different deformations occur in order to reduce the width and the height of a preform hollow ring; as results a diameter expansion is obtained. In order to guarantee a uniform deformation, the preform is forced toward the Driver Roll whose aim is to transmit the rotation to the ring. The ring rotational speed selection is fundamental because the higher is the speed the higher will be the axial symmetry of the deformation process. However, it is important to underline that the rotational speed will affect not only the final ring geometry but also the loads and energy needed to produce it. Despite this importance in industrial environment, usually, a constant value for the Driver Roll angular velocity is set so to result in a decreasing trend law for the ring rotational speed. The main risk due to this approach is not fulfilling the axial symmetric constrain (due to the diameter expansion) and to generate a high localized ring section deformation. In order to improve the knowledge about this topic in the present paper three different ring rotational speed trends (constant, linearly increasing and linearly decreasing) were investigated by FEM approach. Results were compared in terms of geometrical and dimensional analysis, loads and energies required.

  9. Mechanical improvement of metal reinforcement rings for a finite ring-shaped superconducting bulk

    Science.gov (United States)

    Huang, Chen-Guang; Zhou, You-He

    2018-03-01

    As a key technique, reinforcement of type-II superconducting bulks with metal rings can efficiently improve their mechanical properties to enhance the maximum trapped field. In this paper, we study the magnetostrictive and fracture behaviors of a finite superconducting ring bulk reinforced by three typical reinforcing structures composed of metal rings during the magnetizing process by means of the minimization of magnetic energy and the finite element method. After a field-dependent critical current density is adopted, the magnetostriction, pinning-induced stress, and crack tip stress intensity factor are calculated considering the demagnetization effects. The results show that the mechanical properties of the ring bulk are strongly dependent on the reinforcing structure and the material and geometrical parameters of the metal rings. Introducing the metal ring can significantly reduce the hoop stress, and the reduction effect by internal reinforcement is much improved relative to external reinforcement. By comparison, bilateral reinforcement seems to be the best candidate structure. Only when the metal rings have particular Young's modulus and radial thickness will they contribute to improve the mechanical properties the most. In addition, if an edge crack is pre-existing in the ring bulk, the presence of metal rings can effectively avoid crack propagation since it reduces the crack tip stress intensity factor by nearly one order of magnitude.

  10. Attachment icebergs: Maternal and child health nurses' evaluation of infant-caregiver attachment.

    Science.gov (United States)

    Bryant, Edith; Ridgway, Lael; Lucas, Sandra

    2016-05-01

    Secure attachment of infants to their caregiver is important when promoting the emotional wellbeing and mental health of infants. Maternal and child health (MCH) nurses are well positioned to observe the quality of interactions between infants and caregivers and to assess and intervene. However, as yet there are no approved methods to assess the emotional and mental health of infants in community settings. A qualitative descriptive study of 12 MCH nurses in Victoria, Australia, using semi-structured interviews, was thematically analysed. The data revealed that nurses used many skills to identify and manage attachment difficulties. Key among these were observations of interactions, collaboration with caregivers and reflective practice. Assessments and interventions are also influenced by nurses' emotions, attitudes and workplace factors. An unexpected finding was that attachment markers can be likened to an 'iceberg': warning indicators at the tip can be easily observed by the nurse, while the less obvious underlying factors need to be explored in order to support attachment and improve infant mental health outcomes. Education for nurses should include concepts of attachment and link behaviours with emotional wellbeing.

  11. Ring correlations in random networks.

    Science.gov (United States)

    Sadjadi, Mahdi; Thorpe, M F

    2016-12-01

    We examine the correlations between rings in random network glasses in two dimensions as a function of their separation. Initially, we use the topological separation (measured by the number of intervening rings), but this leads to pseudo-long-range correlations due to a lack of topological charge neutrality in the shells surrounding a central ring. This effect is associated with the noncircular nature of the shells. It is, therefore, necessary to use the geometrical distance between ring centers. Hence we find a generalization of the Aboav-Weaire law out to larger distances, with the correlations between rings decaying away when two rings are more than about three rings apart.

  12. Attachment Patterns in the Psychotherapy Relationship: Development of the Client Attachment to Therapist Scale.

    Science.gov (United States)

    Mallinckrodt, Brent; And Others

    1995-01-01

    Describes development of an instrument, the Client Attachment to Therapist Scale (CATS). CATS factors correlated in expected directions with survey measures of object relations, client-rated working alliance, social self-efficacy, and adult attachment. Cluster analysis revealed four types of client attachment. Discusses implications of attachment…

  13. Alpha - Skew Pi - Armendariz Rings

    Directory of Open Access Journals (Sweden)

    Areej M Abduldaim

    2018-03-01

    Full Text Available In this article we introduce a new concept called Alpha-skew Pi-Armendariz rings (Alpha - S Pi - ARas a generalization of the notion of Alpha-skew Armendariz rings.Another important goal behind studying this class of rings is to employ it in order to design a modern algorithm of an identification scheme according to the evolution of using modern algebra in the applications of the field of cryptography.We investigate general properties of this concept and give examples for illustration. Furthermore, this paperstudy the relationship between this concept and some previous notions related to Alpha-skew Armendariz rings. It clearly presents that every weak Alpha-skew Armendariz ring is Alpha-skew Pi-Armendariz (Alpha-S Pi-AR. Also, thisarticle showsthat the concepts of Alpha-skew Armendariz rings and Alpha-skew Pi- Armendariz rings are equivalent in case R is 2-primal and semiprime ring.Moreover, this paper proves for a semicommutative Alpha-compatible ringR that if R[x;Alpha] is nil-Armendariz, thenR is an Alpha-S Pi-AR. In addition, if R is an Alpha - S Pi -AR, 2-primal and semiprime ring, then N(R[x;Alpha]=N(R[x;Alpha]. Finally, we look forwardthat Alpha-skew Pi-Armendariz rings (Alpha-S Pi-ARbe more effect (due to their properties in the field of cryptography than Pi-Armendariz rings, weak Armendariz rings and others.For these properties and characterizations of the introduced concept Alpha-S Pi-AR, we aspire to design a novel algorithm of an identification scheme.

  14. Fundamental mode rf power dissipated in a waveguide attached to an accelerating cavity

    International Nuclear Information System (INIS)

    Kang, Y.W.

    1993-01-01

    An accelerating RF cavity usually requires accessory devices such as a tuner, a coupler, and a damper to perform properly. Since a device is attached to the wall of the cavity to have certain electrical coupling of the cavity field through the opening. RF power dissipation is involved. In a high power accelerating cavity, the RF power coupled and dissipated in the opening and in the device must be estimated to design a proper cooling system for the device. The single cell cavities of the APS storage ring will use the same accessories. These cavities are rotationally symmetric and the fields around the equator can be approximated with the fields of the cylindrical pillbox cavity. In the following, the coupled and dissipated fundamental mode RF power in a waveguide attached to a pillbox cavity is discussed. The waveguide configurations are (1) aperture-coupled cylindrical waveguide with matched load termination; (2) short-circuited cylindrical waveguide; and (3) E-probe or H-loop coupled coaxial waveguide. A short-circuited, one-wavelength coaxial structure is considered for the fundamental frequency rejection circuit of an H-loop damper

  15. Pulse radiolysis study on free radical scavenger edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one). 2: A comparative study on edaravone derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Hata, Kuniki; Katsumura, Yosuke [Tokyo Univ., School of Engineering, Tokyo (Japan); Lin, M; Yamashita, Shinichi [Japan Atomic Energy Agency, Advanced Science Research Center, Tokai, Ibaraki (Japan); Muroya, Yusa [Tokyo Univ., Nuclear Professional School, Tokai, Ibaraki (Japan); Haiying, Fu [Chinese Academy of Sciences, Shanghai (China); Nakagawa, Hidehiko [Nagoya City Univ., Graduate School of Pharmaceutical Sciences, Nagoya, Aichi (Japan)

    2011-01-15

    A comparative study using the pulse radiolysis technique was carried out to investigate transient absorption spectra and rate constants for the reactions of OH radical and N{sub 3} radical with edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one) and its four analogue compounds, 1,3-dimethyl-2-pyrazolin-5-one, 3-methyl-1-(pyridin-2-yl)-2-pyrazolin-5-one, 1-phenyl-3-trifluoromethyl-2-pyrazolin-5-one and 1-(4-chlorophenyl)-3-methyl-2-pyrazolin-5-one. The results showed that, unlike reaction mechanisms previously proposed, the phenyl group of edaravone played an important role in the reaction with OH radical and OH adducts to the phenyl group were formed. Quantum chemical calculations also strongly supported this attribution and suggested that the most favorable site for attacks by OH radical is the ortho position of the phenyl group. Moreover, the rate constants for the reactions of edaravone and its analogues towards OH radical and N{sub 3} radical were about 8.0 x 10{sup 9}, and 4.0 x 10{sup 9} dm{sup 3} mol{sup -1} s{sup -1}, respectively. Edaravone displayed higher reactivity compared to the others, in contrast to a previous report in which 3-methyl-1-(pyridin-2-yl)-2-pyrazolin-5-one showed the highest reactivity towards Hydroxyl radical OH. (author)

  16. 2-[Anilino(phenyl)methyl]cycloheptanone

    OpenAIRE

    Orhan Büyükgüngör; Sakineh Mozaffarnia; Maryam Zirak; Sahar Mohajer; Bagher Eftekhari-Sis

    2013-01-01

    In the title compound, C20H23NO, the cycloheptanone ring adopts a twist-chair conformation, with the aminomethyl substituent in an equatorial position. The relative configuration of the two stereocenters is R,R. In the crystal, molecules are linked by N—H...O hydrogen bonds into chains along [100].

  17. Attachment at (not to) work: applying attachment theory to explain individual behavior in organizations.

    Science.gov (United States)

    Richards, David A; Schat, Aaron C H

    2011-01-01

    In this article, we report the results of 2 studies that were conducted to investigate whether adult attachment theory explains employee behavior at work. In the first study, we examined the structure of a measure of adult attachment and its relations with measures of trait affectivity and the Big Five. In the second study, we examined the relations between dimensions of attachment and emotion regulation behaviors, turnover intentions, and supervisory reports of counterproductive work behavior and organizational citizenship behavior. Results showed that anxiety and avoidance represent 2 higher order dimensions of attachment that predicted these criteria (except for counterproductive work behavior) after controlling for individual difference variables and organizational commitment. The implications of these results for the study of attachment at work are discussed.

  18. Plasma-ring, fast-opening switch

    International Nuclear Information System (INIS)

    Hartman, C.W.; Eddleman, J.; Hammer, J.H.

    1986-01-01

    The authors discuss a fast-opening switch concept based on magnetically confined plasma rings, PROS (for Plasma Ring Opening Switch). In PROS, the plasma ring, confined by Bθ /sub and B/poloidal /sub fields of a compact torus, provide a low mass, localized conduction path between coaxial electrodes. To operate the switch, driver current is passed across the electrodes through the ring, storing inductive energy in external inductance and between the electrodes on the driver side of the ring. The ring is accelerated away from the driver by the field of the driver current and passes over a load gap transferring the current to the load. The authors distinguish two configurations in PROS, straight PROS where the electrodes are coaxial cylinders, and cone PROS with conical electrodes. In straight PROS ring acceleration takes place during the inductive store period as in foil switches, but with the localized ring providing the current path. Increased performance is predicted for the cone PROS (see figure) which employs compression of the ring in the cone during the inductive store period. Here, the B/θ /sub field of the driver forces the ring towards the apex of the cone but the force is in near balance with the opposing component of the radial equilibrium force of the ring along the cone. As a result, the ring undergoes a slow, quasistatic compression limited only by resistive decay of the ring field. Slow compression allows inductive storage with low-power drivers (homopoloar, magneto cumulative generators, high C-low V capacitor banks, etc.). Near the apex of the cone, near peak compression, the ring is allowed to enter a straight coaxial section where, because of low-mass, it rapidly accelerates to high velocity and crosses the load gap

  19. Adult Attachment Style and Suicidality.

    Science.gov (United States)

    Miniati, Mario; Callari, Antonio; Pini, Stefano

    2017-09-01

    There is evidence in the literature that adverse early attachment experiences and subsequent attachment insecurities during adulthood would lead to pessimism, low self-esteem, hopelessness and, ultimately, to suicide risk. This paper aims to review finding on the link between attachment style and suicidality. We searched the literature using the database of the U.S. National Center for Biotechnology Information (NCBI)-MedLine/Pubmed system from January 1992 until December 2016. We started with 1992 because, as far as we know, there are no published studies exploring the relationship between suicide and insecure attachment before that year. We considered reports published on the relationship between attachment style and suicidality. We applied several combinations of the following search terms: attachment, adult attachment style and suicidality, suicide, suicidal ideation, suicidal behavior or suicidal thoughts, and suicide attempts. We selected only English language studies. Research suggests that insecure attachment style, mostly anxious, and unresolved traumas are associated with an increased suicide risk. Few studies prospectively examined clinical course, comorbid psychiatric disorders, familial suicidality or other psychosocial factors. Further research is needed to highlight the nature of the link between attachment and suicidality. The presence of suicidal ideation and attempts might be a consequence of an underlying interaction between the emergence of psychiatrics symptoms, and the long-lasting presence of inadequate patterns of attachment. Within this context, Separation Anxiety Disorder, categorized in the DSM-5 as a condition not confined to childhood but as an anxiety disorder that may occur through the entire lifespan, might be the a key for the comprehension of this link. From a neurobiological point of view, the role of oxytocin remains unclear.

  20. Attachment behavior and mother-child conversations as predictors of attachment representations in middle childhood: a longitudinal study.

    Science.gov (United States)

    Dubois-Comtois, Karine; Cyr, Chantal; Moss, Ellen

    2011-07-01

    This study examines longitudinal links between mother-child conversations and attachment patterns in early childhood and later attachment representations. It also tests the role of conversations as mediators in the association between behavioral security and attachment representations. Mother-child conversations (snack-time) and attachment behaviors (Separation-Reunion procedure) were assessed for 83 5.5-year-olds while attachment representations (attachment narratives) were measured at 8.5 years of age. Results showed correspondence between attachment behaviors and representations for secure-confident, ambivalent-preoccupied, and disorganized/controlling-frightened groups. Affective quality of mother-child conversations predicted both child attachment behaviors and representations. Secure and confident children showed greater integration of affective information, ambivalent and preoccupied children more affect exaggeration, and disorganized/controlling and frightened children more chaotic conversations. Avoidant children tended to show more affect minimization in conversations. Finally, mother-child conversations centered on the sharing of emotions and thoughts mediated the relation between behavioral and representational attachment security, which underscores the importance of mother-child conversations in the development of attachment representations in childhood.

  1. Fusion Rings for Quantum Groups

    DEFF Research Database (Denmark)

    Andersen, Henning Haahr; Stroppel, Catharina

    2014-01-01

    We study the fusion rings of tilting modules for a quantum group at a root of unity modulo the tensor ideal of negligible tilting modules. We identify them in type A with the combinatorial rings from Korff, C., Stroppel, C.: The sl(ˆn)k-WZNW fusion ring: a combinato-rial construction...... and a realisation as quotient of quantum cohomology. Adv. Math. 225(1), 200–268, (2010) and give a similar description of the sp2n-fusion ring in terms of non-commutative symmetric functions. Moreover we give a presentation of all fusion rings in classical types as quotients of polynomial rings. Finally we also...... compute the fusion rings for type G2....

  2. The LSU Electron Storage Ring, the first commercially-built storage ring

    International Nuclear Information System (INIS)

    Sah, R.

    1990-01-01

    The Brobeck Division of Maxwell Laboratories, Inc., is building the first industrially-produced storage ring. It will be located at Louisiana State University (LSU) at the Center for Advanced Microstructures and Devices (CAMD) in Baton Rouge. The purpose of this electron storage ring is to provide intense beams of x-rays to advance the state-of-the-art in lithography and to permit research in a broad area. This facility consists of a 1.2 GeV, 400 mA electron storage ring with a 200 MeV linac injector. The magnet lattice is a Chasman-Green design (double-bend achromat), and the ring circumference is 55.2 meters. There are four 3.0 meter, dispersion-free straight sections, one for injection, one for the 500 MHz RF cavity, and two for possible future insertion devices. The storge ring construction project is in the detailed-design stage, and many systems are in the initial stages of fabrication. 4 figs., 1 tab

  3. Complexes of palladium(II with 1-phenyl-1-hydroxymethylene bisphosphoniс acid and their antitumor activity

    Directory of Open Access Journals (Sweden)

    O. M. Kozachkova

    2017-02-01

    Full Text Available Complex formation of K2[PdCl4] with 1-phenyl-1-hydroxymethylene bisphosphonic acid (PhHMBP, H4L has been studied by pH potentiometry, electron and NMR spectroscopy. It was found that in aqueous solution with physiological concentration of chlorine anions (0.15 mol/l KCl, anionic complexes of the equimolar compositions [PdHLCl2]3- (lgβ = 24.51 (0.3 and [PdLCl2]4- (lgβ = 20.74 (0.02 are formed. In the first coordination sphere palladium was surrounded by two oxygen atoms of two phosphonic groups of the bidentately coordinated ligand with closure of six-membered [O, O] ring, and two chlorine anions. The formation of palladium(II equimolar complexes with PhHMBP and bidentate coordination of the ligand to the central metal cation was confirmed by 31P NMR spectroscopy. Cytotoxic activity (IC50 based on metal content of the synthesized Pd(II complexes with PhHMBP against human MG-63 osteosarcoma and MCF-7 mammary tumor cells was compared with cisplatin on in vitro models. It was established that cytotoxic activity of the Pd complexes was lower than that of cisplatin. The acute toxicity (LD50 based on metal content of solutions of Pd(II complexes with PhHMBP was found to be lower compared to cisplatin. It was shown that the use of solutions of palladium(II complexes with PhHMBP inhibited tumor growth in mice with sarcoma 180.

  4. Fusion rings and fusion ideals

    DEFF Research Database (Denmark)

    Andersen, Troels Bak

    by the so-called fusion ideals. The fusion rings of Wess-Zumino-Witten models have been widely studied and are well understood in terms of precise combinatorial descriptions and explicit generating sets of the fusion ideals. They also appear in another, more general, setting via tilting modules for quantum......This dissertation investigates fusion rings, which are Grothendieck groups of rigid, monoidal, semisimple, abelian categories. Special interest is in rational fusion rings, i.e., fusion rings which admit a finite basis, for as commutative rings they may be presented as quotients of polynomial rings...

  5. Evaluation of ring impedance of the Photon Factory storage ring

    International Nuclear Information System (INIS)

    Kiuchi, T.; Izawa, M.; Tokumoto, S.; Hori, Y.; Sakanaka, S.; Kobayashi, M.; Kobayakawa, H.

    1992-05-01

    The loss parameters of the ducts in the Photon Factory (PF) storage ring were evaluated using the wire method and the code TBCI. Both the measurement and the calculation were done for a different bunch length (σ) ranging from 23 to 80 ps. The PF ring impedance was estimated to be |Z/n|=3.2 Ω using the broadband impedance model. The major contribution to the impedance comes from the bellows and the gate valve sections. Improvements of these components will lower the ring impedance by half. (author)

  6. The Adult Attachment Projective Picture System: integrating attachment into clinical assessment.

    Science.gov (United States)

    George, Carol; West, Malcolm

    2011-01-01

    This article summarizes the development and validation of the Adult Attachment Projective System (AAP), a measure we developed from the Bowlby-Ainsworth developmental tradition to assess adult attachment status. The AAP has demonstrated excellent concurrent validity with the Adult Attachment Interview (George, Kaplan, & Main, 1984/1985/1996; Main & Goldwyn, 1985-1994; Main, Goldwyn, & Hesse, 2003), interjudge reliability, and test-retest reliability, with no effects of verbal intelligence or social desirability. The AAP coding and classification system and application in clinical and community samples are summarized. Finally, we introduce the 3 other articles that are part of this Special Section and discuss the use of the AAP in therapeutic assessment and treatment.

  7. Father attachment, father emotion expression, and children's attachment to fathers: The role of marital conflict.

    Science.gov (United States)

    Bi, Shuang; Haak, Eric A; Gilbert, Lauren R; El-Sheikh, Mona; Keller, Peggy S

    2018-06-01

    The current study examined relations between father attachment to spouses and child attachment to fathers in middle childhood, focusing on father emotion expressions in father-child interactions as mediators and marital conflict as a moderator of relations. Participants were 199 children between 6 and 12 years of age and their fathers. Fathers completed questionnaires about their attachment to their spouses, and both fathers and mothers reported on their marital conflict. Fathers also discussed a difficult topic with their children for 5 min, and fathers' positive and negative emotion expression during the discussions were coded. Children completed questionnaires through an interview about their attachment to their father. Father insecure attachment interacted with marital conflict in predicting more negative emotions and less positive emotions during father-child interactions. Specifically, in the context of higher marital conflict in this community sample, fathers who reported greater preoccupied attachment to their spouses exhibited more negative emotions and less positive emotions when interacting with their children. In turn, more father negative emotions and less positive emotions were associated with children's less secure attachment to fathers. In contrast, father fearful attachment interacted with marital conflict to predict less negative emotion and more positive emotion during interactions with children. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

  8. meso-4,5-Diphenylimidazolidin-2-one

    Directory of Open Access Journals (Sweden)

    Alan J. Lough

    2009-12-01

    Full Text Available The crystal structure determination of the title compound, C15H14N2O, confirms the cis relationship between the phenyl groups at the 4- and 5-positions on the imidazolidine ring. The dihedral angle between the two phenyl rings is 48.14 (6°. In the crystal structure, intermolecular N—H...O hydrogen bonds link molecules into centrosymmetric dimers. These dimers are, in turn, linked into a two-dimensional network via weak N—H...π(arene interactions and π–π stacking interactions with centroid–centroid distances of 3.6937 (11 Å.

  9. 2,3-Bis[(3-methylbiphenyl-4-ylimino]butane

    Directory of Open Access Journals (Sweden)

    Jingjing Chen

    2014-04-01

    Full Text Available The title compound, C30H28N2, is a product of the condensation reaction of 2-methyl-4-phenylaniline and butane-2,3-dione. The molecule lies on a crystallographic inversion centre. The C=N bond has an E conformation. The dihedral angle between the two benzene rings of the 4-phenyl-2-methylphenyl group is 29.19 (76°. The 1,4-diazabutadiene plane makes an angle of 70.1 (10° with the N-bonded methylphenyl ring and an angle of 81.08 (97° with the terminal phenyl group.

  10. Attachment within life history theory: an evolutionary perspective on individual differences in attachment.

    Science.gov (United States)

    Szepsenwol, Ohad; Simpson, Jeffry A

    2018-03-15

    In this article, we discuss theory and research on how individual differences in adult attachment mediate the adaptive calibration of reproductive strategies, cognitive schemas, and emotional expression and regulation. We first present an integration of attachment theory and life history theory. Then, we discuss how early harsh and/or unpredictable environments may promote insecure attachment by hampering parents' ability to provide sensitive and reliable care to their children. Finally, we discuss how, in the context of harsh and/or unpredictable environments, different types of insecure attachment (i.e. anxiety and avoidance) may promote evolutionary adaptive reproductive strategies, cognitive schemas, and emotional expression and regulation profiles. Copyright © 2018 Elsevier Ltd. All rights reserved.

  11. Antifouling phenyl ethers and other compounds from the invertebrates and their symbiotic fungi collected from the South China Sea

    KAUST Repository

    Wang, Chao-Yi

    2016-10-26

    Marine organism-derived secondary metabolites are promising potential sources for discovering environmentally safe antifouling agents. In present study, 55 marine secondary metabolites and their synthesized derivatives were tested and evaluated for their antifouling activities and security. These compounds include 44 natural products isolated from marine invertebrates and their symbiotic microorganisms collected from the South China Sea and 11 structural modified products derived from the isolated compounds. The natural secondary metabolites, covering phenyl ether derivatives, terpenoids, 9, 11-secosteroids, anthraquinones, alkaloids, nucleoside derivatives and peptides, were isolated from two corals, one sponge and five symbiotic fungi. All of the isolated and synthesized compounds were tested for their antifouling activities against the cyprids of barnacle Balanus (Amphibalanus) amphitrite Darwin. Noticeably, five phenyl ether derivatives (9, 11, 13–15) exhibited potent anti-larval settlement activity with the EC50 values lower than 3.05 μM and the LC50/EC50 ratios higher than 15. The study of structure–activity relationship (SAR) revealed that the introduction of acetoxy groups and bromine atoms to phenyl ether derivatives could significantly improve their antifouling activities. This is the first report on the SAR of phenyl ether derivatives on antifouling activity against barnacle B. amphitrite. The polybrominated diphenyl ether derivative, 2, 4, 6, 2′, 4′, 6′-hexabromo-diorcinol (13), which displayed excellent antifouling activity, was considered as a promising candidate of environmentally friendly antifouling agents.

  12. Tree Rings: Timekeepers of the Past.

    Science.gov (United States)

    Phipps, R. L.; McGowan, J.

    One of a series of general interest publications on science issues, this booklet describes the uses of tree rings in historical and biological recordkeeping. Separate sections cover the following topics: dating of tree rings, dating with tree rings, tree ring formation, tree ring identification, sample collections, tree ring cross dating, tree…

  13. (E-4-[(4-Nitrophenyldiazenyl]phenyl anthracene-9-carboxylate

    Directory of Open Access Journals (Sweden)

    François Léonard

    2008-12-01

    Full Text Available In the title compound, C27H17N3O4, the azo group displays a trans conformation and the dihedral angles between the central benzene ring and the pendant anthracene and nitrobenzene rings are 82.94 (7 and 7.30 (9°, respectively. In the crystal structure, weak C—H...O hydrogen bonds, likely associated with a dipole moment present on the molecule, help to consolidate the packing.

  14. Synergistic complexes of uranyl ion with 1-phenyl-3-methyl-4-acetyl-pyrazolone-5 and some oxo-donors

    International Nuclear Information System (INIS)

    Nagar, M.S.; Ruikar, P.B.; Subramanian, M.S.

    1987-01-01

    Complexes of uranyl ion with 1-phenyl-3-methyl-4-acetyl-pyrazolone-5(PMAP) and various oxo-donors such as aliphatic sulphoxides [R 2 SO, where R = i-C 5 H 11 (DISO), n-C 6 H 13 (DHSO), n-C 7 H 15 (DSSO), n-C 8 H 17 (DOSO), n-C 9 H 19 (DNSO), n-C 10 H 21 (DDSO), n-C 11 H 23 (DUDSO) and n-C 4 H 9 (DBUSO)] tributylphosphate (TBP) and tri-n-octyl phosphine oxide (TOPO) have been synthesised and characterized. Analytical data establish that they have the stoichiometry UO 2 (PMAP) 2 X where X is the oxo-donor. The IR spectra of the sulphoxide complexes in the S - O stretching region indicate that the ligands R 2 SO are O-bonded. The methyl protons of the pyrazole ring and acetyl group in the PMAP ligand are equivalent giving rise to a single sharp peak in the PMR spectra, whereas in the synergistic complexes with the oxo-donors, two deshielded peaks of equal intensity are observed which indicate the non-equivalence of the methyl groups. The peak which is more deshielded has been ascribed to the methyl of the acetyl group. The higher deshielding of these methyl protons arises due to the transfer of electron density to the metal atom on complexation. (author)

  15. 4-{[(1-Phenyl-1H-pyrazol-3-yloxy]methyl}-1,3-dioxolan-2-one

    Directory of Open Access Journals (Sweden)

    Algirdas Šačkus

    2012-11-01

    Full Text Available The title compound was obtained by the reaction of tosylated glycerol carbonate with 1-phenyl-1H-pyrazol-3-ol in a good 71% yield. Detailed spectroscopic data (1H-NMR, 13C-NMR, 15N-NMR, IR, MS are presented.

  16. (2E-3-(3-Methoxy-1-phenyl-1H-pyrazol-4-yl-2-propenal

    Directory of Open Access Journals (Sweden)

    Algirdas Šačkus

    2009-12-01

    Full Text Available The palladium-catalyzed reaction of 4-bromo-3-methoxy-1-phenyl-1H-pyrazole with acrolein diethyl acetal gives the title compound in good yield. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS are presented.

  17. Page 1 Constitution of Dalbergin—V 109 (ii) 3-Bromo-4-phenyl-6: 7 ...

    Indian Academy of Sciences (India)

    of 4-phenyl-6: 7: 8-trimethoxy coumarin (3.1 g) in glacial acetic acid (20 c.c.) was added a ... i.e., the colour reaction with magnesium and hydrochloric acid and the trans- formation with alkali and mercuric oxide into coumarilic acids are shown.

  18. Activating Attachments Reduces Memories of Traumatic Images.

    Directory of Open Access Journals (Sweden)

    Richard A Bryant

    Full Text Available Emotional memories, and especially intrusive memories, are a common feature of many psychological disorders, and are overconsolidated by stress. Attachment theory posits that activation of mental representations of attachment figures can reduce stress and boost coping. This study tested the proposition that attachment activation would reduce consolidation of emotional and intrusive memories. Sixty-seven undergraduate students viewed subliminal presentations of traumatic and neutral images, which were preceded by subliminal presentations of either attachment-related images or non-attachment-related images; free recall and intrusive memories were assessed two days later. Participants with low avoidant attachment tendencies who received the attachment primes recalled fewer memories and reported fewer intrusions than those who received the non-attachment primes. Unexpectedly, those with high anxious attachment tendencies reported fewer memories. These findings generally accord with attachment theory, and suggest that consolidation of emotional memories can be moderated by activation of attachment representations.

  19. Electron attachment rate constant measurement by photoemission electron attachment ion mobility spectrometry (PE-EA-IMS)

    International Nuclear Information System (INIS)

    Su, Desheng; Niu, Wenqi; Liu, Sheng; Shen, Chengyin; Huang, Chaoqun; Wang, Hongmei; Jiang, Haihe; Chu, Yannan

    2012-01-01

    Photoemission electron attachment ion mobility spectrometry (PE-EA-IMS), with a source of photoelectrons induced by vacuum ultraviolet radiation on a metal surface, has been developed to study electron attachment reaction at atmospheric pressure using nitrogen as the buffer gas. Based on the negative ion mobility spectra, the rate constants for electron attachment to tetrachloromethane and chloroform were measured at ambient temperature as a function of the average electron energy in the range from 0.29 to 0.96 eV. The experimental results are in good agreement with the data reported in the literature. - Highlights: ► Photoemission electron attachment ion mobility spectrometry (PE-EA-IMS) was developed to study electron attachment reaction. ► The rate constants of electron attachment to CCl 4 and CHCl 3 were determined. ► The present experimental results are in good agreement with the previously reported data.

  20. Some Aspects of Ring Theory

    CERN Document Server

    Herstein, IN

    2011-01-01

    S. Amitsur: Associative rings with identities.- I.N. Herstein: Topics in ring theory.- N. Jacobson: Representation theory of Jordan algebras.- I. Kaplansky: The theory of homological dimension.- D. Buchsbaum: Complexes in local ring theory.- P.H. Cohn: Two topics in ring theory.- A.W. Goldie: Non-commutative localisation.

  1. Effects of Emotion Regulation Training on Attachment Style of Primiparous Pregnant Women with Insecure Attachment

    Directory of Open Access Journals (Sweden)

    Tayebeh Reyhani

    2016-04-01

    Full Text Available Background: Pregnant women with insecure attachment style are at high risk of psychiatric disorders. Since emotions are the first coordinators of attachment behavior, emotion regulation training can alter maternal attachment style. In this study, we aimed to evaluate the effects of emotion regulation training on the attachment styles of primiparous pregnant women with insecure attachment style. Aim: This study aimed to evaluate the effects of training programs on the headache of patients after spinal anesthesia. Method: This randomized, clinical trial on 40 primiparous pregnant women with age range of 30-34 years, who were referred to healthcare centers of Mashhad, Iran, during 2014. The data collection instrument was Revised Adult Attachment Scale (RAAS. The participants were assigned to intervention and control groups. A training program was implemented on emotion regulation based on dialectical behavior therapy (DBT for the intervention group. After delivery, RAAS was completed by the mothers again. The control group only received the routine care. To analyze the data, Chi-square and independent t-test were run using SPSS, version 15. Results: Mean ages of the mothers in the intervention and control groups were 26.9±4.04 and 27.5±3.5 years, respectively. According to the results of independent t-test, the difference between the groups was non-significant (P=0.77. The groups were analogous in terms of attachment style pre-intervention. After the intervention, independent t-test did not reflect any significant differences between the groups regarding avoidant (P=0.37 and anxious (P=0.11 attachment styles. However, mean score for secure attachment style was significantly enhanced (P=0.01. Implications for Practice: Our findings revealed that implementation of emotion regulation training increased secure attachment scores. Thus, implementing emotion regulation training program is recommended as part of a program for pre-natal care in healthcare

  2. Supra-molecular hydrogen-bonding patterns in the N(9)-H protonated and N(7)-H tautomeric form of an N(6) -benzoyl-adenine salt: N (6)-benzoyl-adeninium nitrate.

    Science.gov (United States)

    Karthikeyan, Ammasai; Jeeva Jasmine, Nithianantham; Thomas Muthiah, Packianathan; Perdih, Franc

    2016-02-01

    In the title molecular salt, C12H10N5O(+)·NO3 (-), the adenine unit has an N (9)-protonated N(7)-H tautomeric form with non-protonated N(1) and N(3) atoms. The dihedral angle between the adenine ring system and the phenyl ring is 51.10 (10)°. The typical intra-molecular N(7)-H⋯O hydrogen bond with an S(7) graph-set motif is also present. The benzoyl-adeninium cations also form base pairs through N-H⋯O and C-H⋯N hydrogen bonds involving the Watson-Crick face of the adenine ring and the C and O atoms of the benzoyl ring of an adjacent cation, forming a supra-molecular ribbon with R 2 (2)(9) rings. Benzoyl-adeninum cations are also bridged by one of the oxygen atoms of the nitrate anion, which acts as a double acceptor, forming a pair of N-H⋯O hydrogen bonds to generate a second ribbon motif. These ribbons together with π-π stacking inter-actions between the phenyl ring and the five- and six-membered adenine rings of adjacent mol-ecules generate a three-dimensional supra-molecular architecture.

  3. Improving the Accuracy of Laplacian Estimation with Novel Variable Inter-Ring Distances Concentric Ring Electrodes

    Directory of Open Access Journals (Sweden)

    Oleksandr Makeyev

    2016-06-01

    Full Text Available Noninvasive concentric ring electrodes are a promising alternative to conventional disc electrodes. Currently, the superiority of tripolar concentric ring electrodes over disc electrodes, in particular, in accuracy of Laplacian estimation, has been demonstrated in a range of applications. In our recent work, we have shown that accuracy of Laplacian estimation can be improved with multipolar concentric ring electrodes using a general approach to estimation of the Laplacian for an (n + 1-polar electrode with n rings using the (4n + 1-point method for n ≥ 2. This paper takes the next step toward further improving the Laplacian estimate by proposing novel variable inter-ring distances concentric ring electrodes. Derived using a modified (4n + 1-point method, linearly increasing and decreasing inter-ring distances tripolar (n = 2 and quadripolar (n = 3 electrode configurations are compared to their constant inter-ring distances counterparts. Finite element method modeling and analytic results are consistent and suggest that increasing inter-ring distances electrode configurations may decrease the truncation error resulting in more accurate Laplacian estimates compared to respective constant inter-ring distances configurations. For currently used tripolar electrode configuration, the truncation error may be decreased more than two-fold, while for the quadripolar configuration more than a six-fold decrease is expected.

  4. Improving the Accuracy of Laplacian Estimation with Novel Variable Inter-Ring Distances Concentric Ring Electrodes

    Science.gov (United States)

    Makeyev, Oleksandr; Besio, Walter G.

    2016-01-01

    Noninvasive concentric ring electrodes are a promising alternative to conventional disc electrodes. Currently, the superiority of tripolar concentric ring electrodes over disc electrodes, in particular, in accuracy of Laplacian estimation, has been demonstrated in a range of applications. In our recent work, we have shown that accuracy of Laplacian estimation can be improved with multipolar concentric ring electrodes using a general approach to estimation of the Laplacian for an (n + 1)-polar electrode with n rings using the (4n + 1)-point method for n ≥ 2. This paper takes the next step toward further improving the Laplacian estimate by proposing novel variable inter-ring distances concentric ring electrodes. Derived using a modified (4n + 1)-point method, linearly increasing and decreasing inter-ring distances tripolar (n = 2) and quadripolar (n = 3) electrode configurations are compared to their constant inter-ring distances counterparts. Finite element method modeling and analytic results are consistent and suggest that increasing inter-ring distances electrode configurations may decrease the truncation error resulting in more accurate Laplacian estimates compared to respective constant inter-ring distances configurations. For currently used tripolar electrode configuration, the truncation error may be decreased more than two-fold, while for the quadripolar configuration more than a six-fold decrease is expected. PMID:27294933

  5. Phenotypes of non-attached Pseudomonas aeruginosa aggregates resemble surface attached biofilm.

    Directory of Open Access Journals (Sweden)

    Morten Alhede

    Full Text Available For a chronic infection to be established, bacteria must be able to cope with hostile conditions such as low iron levels, oxidative stress, and clearance by the host defense, as well as antibiotic treatment. It is generally accepted that biofilm formation facilitates tolerance to these adverse conditions. However, microscopic investigations of samples isolated from sites of chronic infections seem to suggest that some bacteria do not need to be attached to surfaces in order to establish chronic infections. In this study we employed scanning electron microscopy, confocal laser scanning microscopy, RT-PCR as well as traditional culturing techniques to study the properties of Pseudomonas aeruginosa aggregates. We found that non-attached aggregates from stationary-phase cultures have comparable growth rates to surface attached biofilms. The growth rate estimations indicated that, independently of age, both aggregates and flow-cell biofilm had the same slow growth rate as a stationary phase shaking cultures. Internal structures of the aggregates matrix components and their capacity to survive otherwise lethal treatments with antibiotics (referred to as tolerance and resistance to phagocytes were also found to be strikingly similar to flow-cell biofilms. Our data indicate that the tolerance of both biofilms and non-attached aggregates towards antibiotics is reversible by physical disruption. We provide evidence that the antibiotic tolerance is likely to be dependent on both the physiological states of the aggregates and particular matrix components. Bacterial surface-attachment and subsequent biofilm formation are considered hallmarks of the capacity of microbes to cause persistent infections. We have observed non-attached aggregates in the lungs of cystic fibrosis patients; otitis media; soft tissue fillers and non-healing wounds, and we propose that aggregated cells exhibit enhanced survival in the hostile host environment, compared with non

  6. Interferences in place attachment: implications for wilderness

    Science.gov (United States)

    Erin K. Sharpe; Alan W. Ewert

    2000-01-01

    Previous research on place attachment has tended to focus on attachment formation, with relatively little attention given to factors that disrupt or interfere with formed place attachments. Interferences to attachments are a worthy research area for two reasons: 1) The factors of place attachment are often more salient when being disrupted, and 2) place attachment...

  7. Radar imaging of Saturn's rings

    Science.gov (United States)

    Nicholson, Philip D.; French, Richard G.; Campbell, Donald B.; Margot, Jean-Luc; Nolan, Michael C.; Black, Gregory J.; Salo, Heikki J.

    2005-09-01

    We present delay-Doppler images of Saturn's rings based on radar observations made at Arecibo Observatory between 1999 and 2003, at a wavelength of 12.6 cm and at ring opening angles of 20.1°⩽|B|⩽26.7°. The average radar cross-section of the A ring is ˜77% relative to that of the B ring, while a stringent upper limit of 3% is placed on the cross-section of the C ring and 9% on that of the Cassini Division. These results are consistent with those obtained by Ostro et al. [1982, Icarus 49, 367-381] from radar observations at |B|=21.4°, but provide higher resolution maps of the rings' reflectivity profile. The average cross-section of the A and B rings, normalized by their projected unblocked area, is found to have decreased from 1.25±0.31 to 0.74±0.19 as the rings have opened up, while the circular polarization ratio has increased from 0.64±0.06 to 0.77±0.06. The steep decrease in cross-section is at variance with previous radar measurements [Ostro et al., 1980, Icarus 41, 381-388], and neither this nor the polarization variations are easily understood within the framework of either classical, many-particle-thick or monolayer ring models. One possible explanation involves vertical size segregation in the rings, whereby observations at larger elevation angles which see deeper into the rings preferentially see the larger particles concentrated near the rings' mid-plane. These larger particles may be less reflective and/or rougher and thus more depolarizing than the smaller ones. Images from all four years show a strong m=2 azimuthal asymmetry in the reflectivity of the A ring, with an amplitude of ±20% and minima at longitudes of 67±4° and 247±4° from the sub-Earth point. We attribute the asymmetry to the presence of gravitational wakes in the A ring as invoked by Colombo et al. [1976, Nature 264, 344-345] to explain the similar asymmetry long seen at optical wavelengths. A simple radiative transfer model suggests that the enhancement of the azimuthal

  8. Study of improvement in 1st ring`s gas-seal; Top ring no gas seal seino kojo no kento

    Energy Technology Data Exchange (ETDEWEB)

    Ando, H; Tateishi, Y; Fujimura, K; Hitosugi, H [Nippon Piston Ring Co. Ltd., Tokyo (Japan)

    1997-10-01

    The authors studied the effect of an angle of 1st ring twist on the amount of blow-by concerning higher speed/higher output engines for motorcycles. As a result, the authors found the twist made the ring restrained in a ring groove of piston , and confirmed its suitable range for blow-by. By means of the developed optimization method, the authors have achieved significant reduction in blow-by at high engine speed. 1 ref., 9 figs., 2 tabs.

  9. Using attachment theory in mentoring.

    Science.gov (United States)

    Miles, Kerri

    Attachment theory is a useful way to understand the bond between children and the people with whom they have emotional ties--usually caregivers. The theory can also help us to understand any adult relationship that provides closeness and a sense of attachment, especially in times of stress or need. Understanding the nature, cause and effect of the role and function of attachment from a training and development perspective, and different styles of attachment, may improve the quality of the mentoring experience for both mentors and mentees.

  10. Attachment and Dyadic Regulation Processes.

    Science.gov (United States)

    Overall, Nickola C; Simpson, Jeffry A

    2015-02-01

    Insecurely attached people have relatively unhappy and unstable romantic relationships, but the quality of their relationships depends on how their partners regulate them. Some partners find ways to regulate the emotional and behavioral reactions of insecurely attached individuals, which promotes greater relationship satisfaction and security. We discuss attachment theory and interdependence dilemmas, and then explain how and why certain responses by partners assuage the cardinal concerns of insecure individuals in key interdependent situations. We then review recent studies illustrating how partners can successfully regulate the reactions of anxiously and avoidantly attached individuals, yielding more constructive interactions. We finish by considering how these regulation processes can create a more secure dyadic environment, which helps to improve relationships and attachment security across time.

  11. Viscosity of ring polymer melts

    KAUST Repository

    Pasquino, Rossana

    2013-10-15

    We have measured the linear rheology of critically purified ring polyisoprenes, polystyrenes, and polyethyleneoxides of different molar masses. The ratio of the zero-shear viscosities of linear polymer melts η0,linear to their ring counterparts η0,ring at isofrictional conditions is discussed as a function of the number of entanglements Z. In the unentangled regime η0,linear/η 0,ring is virtually constant, consistent with the earlier data, atomistic simulations, and the theoretical expectation η0,linear/ η0,ring = 2. In the entanglement regime, the Z-dependence of ring viscosity is much weaker than that of linear polymers, in qualitative agreement with predictions from scaling theory and simulations. The power-law extracted from the available experimental data in the rather limited range 1 < Z < 20, η0,linear/η0,ring ∼ Z 1.2±0.3, is weaker than the scaling prediction (η0,linear/η0,ring ∼ Z 1.6±0.3) and the simulations (η0,linear/ η0,ring ∼ Z2.0±0.3). Nevertheless, the present collection of state-of-the-art experimental data unambiguously demonstrates that rings exhibit a universal trend clearly departing from that of their linear counterparts, and hence it represents a major step toward resolving a 30-year-old problem. © 2013 American Chemical Society.

  12. Viscosity of ring polymer melts

    KAUST Repository

    Pasquino, Rossana; Vasilakopoulos, Thodoris C.; Jeong, Youncheol; Lee, Hyojoon; Rogers, Simon A.; Sakellariou, Georgios; Allgaier, Jü rgen B.; Takano, Atsushi; Brá s, Ana Rita E; Chang, Taihyun; Gooß en, Sebastian; Pyckhout-Hintzen, Wim; Wischnewski, Andreas; Hadjichristidis, Nikolaos; Richter, Dieter R.; Rubinstein, Michael H.; Vlassopoulos, Dimitris

    2013-01-01

    We have measured the linear rheology of critically purified ring polyisoprenes, polystyrenes, and polyethyleneoxides of different molar masses. The ratio of the zero-shear viscosities of linear polymer melts η0,linear to their ring counterparts η0,ring at isofrictional conditions is discussed as a function of the number of entanglements Z. In the unentangled regime η0,linear/η 0,ring is virtually constant, consistent with the earlier data, atomistic simulations, and the theoretical expectation η0,linear/ η0,ring = 2. In the entanglement regime, the Z-dependence of ring viscosity is much weaker than that of linear polymers, in qualitative agreement with predictions from scaling theory and simulations. The power-law extracted from the available experimental data in the rather limited range 1 < Z < 20, η0,linear/η0,ring ∼ Z 1.2±0.3, is weaker than the scaling prediction (η0,linear/η0,ring ∼ Z 1.6±0.3) and the simulations (η0,linear/ η0,ring ∼ Z2.0±0.3). Nevertheless, the present collection of state-of-the-art experimental data unambiguously demonstrates that rings exhibit a universal trend clearly departing from that of their linear counterparts, and hence it represents a major step toward resolving a 30-year-old problem. © 2013 American Chemical Society.

  13. Attachment Theory: Progress and Future Directions

    OpenAIRE

    Fearon, R. M. P.; Roisman, G. I.

    2017-01-01

    Attachment is a key subfield in the area of parenting and parent-child relationships research. In this brief overview, we summarise what we consider to be the state-of-the-art of attachment research, focusing primarily on the nature and significance of attachment in infancy and early childhood. We review 4 major topics that are central issues in the scientific literature on attachment: (1) the role of the environment in the development of attachment, (2) the intergenerational transmission of ...

  14. ring og refleksion

    DEFF Research Database (Denmark)

    Wahlgren, B.; Rattleff, Pernille; Høyrup, S.

    State of the art inden for forskning om læring på arbejdspladsen samt gennemgang af læringsteori og refleksionsbegrebet hos Dewey, Dreyfus, Schön, Argyris, Kolb, Jarvis, Mezirow og Brookfield. Afsluttes med diskussion af syntetiseret model for læring på arbejdspladsen.......State of the art inden for forskning om læring på arbejdspladsen samt gennemgang af læringsteori og refleksionsbegrebet hos Dewey, Dreyfus, Schön, Argyris, Kolb, Jarvis, Mezirow og Brookfield. Afsluttes med diskussion af syntetiseret model for læring på arbejdspladsen....

  15. Birth Control Ring

    Science.gov (United States)

    ... Health Food & Fitness Diseases & Conditions Infections Drugs & Alcohol School & Jobs Sports Expert Answers (Q&A) Staying Safe Videos for Educators Search English Español Birth Control Ring KidsHealth / For Teens / Birth Control Ring What's ...

  16. 4-Methyl-5-phenyl-1H-pyrazol-3-ol

    Directory of Open Access Journals (Sweden)

    Tara Shahani

    2010-07-01

    Full Text Available The title compound, C10H10N2O, crystallizes with two independent molecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two molecules are 39.57 (14 and 41.95 (13°. The two molecules are each connected to neighbouring molecules by pairs of intermolecular O—H...N hydrogen bonds, forming dimers with R22(8 ring motifs. These dimers are further linked into R44(10 ring motifs by intermolecular N—H...O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C—H...π interaction.

  17. Assessing Attachment in Psychotherapy

    DEFF Research Database (Denmark)

    Talia, Alessandro; Miller-Bottome, Madeleine; Daniel, Sarah I.F.

    2017-01-01

    The authors present and validate the Patient Attachment Coding System (PACS), a transcript-based instrument that assesses clients' in-session attachment based on any session of psychotherapy, in multiple treatment modalities. One-hundred and sixty clients in different types of psychotherapy...... (cognitive–behavioural, cognitive–behavioural-enhanced, psychodynamic, relational, supportive) and from three different countries were administered the Adult Attachment Interview (AAI) prior to treatment, and one session for each client was rated with the PACS by independent coders. Results indicate strong...... inter-rater reliability, and high convergent validity of the PACS scales and classifications with the AAI. These results present the PACS as a practical alternative to the AAI in psychotherapy research and suggest that clinicians using the PACS can assess clients' attachment status on an ongoing basis...

  18. From coffee ring to spherulites ring of poly(ethylene oxide) film from drying droplet

    Science.gov (United States)

    Hu, Yinchun; Zhang, Xuerong; Qiu, Maibo; Wei, Yan; Zhou, Qiong; Huang, Di

    2018-03-01

    We discuss how the "spherulites ring" morphology and "coffee ring" profile of PEO film formed by the drying droplet at glass substrate with different heating rate. Upon increasing the heating rate of substrate, it is found that deposited PEO film from drying droplet shows the unusually observed "coffee ring" profile and "spherulites ring" morphology. The main mechanism for this phenomenon is proposed to be an enhanced Marangoni convection which is induced by the increased solute concentration gradient and reduced viscous force above 70 °C. A simple formation mechanism of the unusually observed "coffee ring" profile and "spherulites ring" morphology is proposed. These findings can be exploited to trace the center of Marangoni convection, with potential applications in designing the spherulite patterns of crystalline polymer films in ink-jet printing and self-assembly fields.

  19. Systematic Search for Rings around Kepler Planet Candidates: Constraints on Ring Size and Occurrence Rate

    Science.gov (United States)

    Aizawa, Masataka; Masuda, Kento; Kawahara, Hajime; Suto, Yasushi

    2018-05-01

    We perform a systematic search for rings around 168 Kepler planet candidates with sufficient signal-to-noise ratios that are selected from all of the short-cadence data. We fit ringed and ringless models to their light curves and compare the fitting results to search for the signatures of planetary rings. First, we identify 29 tentative systems, for which the ringed models exhibit statistically significant improvement over the ringless models. The light curves of those systems are individually examined, but we are not able to identify any candidate that indicates evidence for rings. In turn, we find several mechanisms of false positives that would produce ringlike signals, and the null detection enables us to place upper limits on the size of the rings. Furthermore, assuming the tidal alignment between axes of the planetary rings and orbits, we conclude that the occurrence rate of rings larger than twice the planetary radius is less than 15%. Even though the majority of our targets are short-period planets, our null detection provides statistical and quantitative constraints on largely uncertain theoretical models of the origin, formation, and evolution of planetary rings.

  20. Synthesis of 2-phenyl-1,2-benziso[77Se]selenazol-3(2H)-one: ''Ebselen''

    International Nuclear Information System (INIS)

    Oppenheimer, Jossian; Silks, L.A. III

    1996-01-01

    Synthesis of 2-Phenyl-1,2-benziso[ 77 Se]selenazol-3(2H)-one has been accomplished in one step from 94% 77 Se and commercially available starting materials in 76% yield based on the enriched elemental selenium. (author)

  1. Crystal structure, spectral property, antimicrobial activity and DFT calculation of N-(coumarin-3-yl)-N‧-(2-amino-5-phenyl-1,3,4-thiadiazol-2-yl) urea

    Science.gov (United States)

    Zhang, Hong-Song; Zhang, Kong-Yan; Chen, Li-Chuan; Li, Yao-Xin; Chai, Lan-Qin

    2017-10-01

    N-(coumarin-3-yl)-N‧-(2-amino-5-phenyl-1,3,4-thiadiazol-2-yl) urea was synthesized and characterized by elemental analysis, IR, 1H NMR, 13C NMR, UV-Vis and emission spectroscopy, as well as by single-crystal X-ray diffraction. X-ray crystallographic analyses have indicated that the crystal structure consists of two dimethyl sulfoxide (DMSO) solvent molecules and the structural geometry of DMSO is a trigonal pyramid in shape. In the crystal structure, a self-assembling two-dimensional (2-D) layer supramolecular architecture is formed through intermolecular hydrogen bonds, Cdbnd O···π (thiadiazole ring) and π···π stacking interactions. The geometry of the compound has been optimized by the DFT method and the results are compared with the X-ray diffraction data. The electronic transitions and spectral features of the compound were carried out by using DFT/B3LYP method. In addition, the antimicrobial activity was also studied, and the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and HOMO-LUMO gap were also calculated.

  2. Crystal structure of 4-methylsulfanyl-2-phenylquinazoline

    Directory of Open Access Journals (Sweden)

    Mohammed B. Alshammari

    2014-08-01

    Full Text Available In the title compound, C15H12N2S, the methylthioquinazoline group is planar with the methyl C displaced by only 0.116 (3 Å from the plane of the quinazoline moiety. The dihedral angle between the phenyl ring and the quinazoline ring system is 13.95 (5°. In the crystal, each molecule is linked by π–π stacking between to two adjacent inversion-related molecules. On one side, the inverted quinazoline groups interact with a centroid–centroid distance of 3.7105 (9 Å. On the other side, the quinazoline group interacts with the pyrimidine and phenyl rings of the second neighbour with centroid–centroid distances of 3.5287 (8 and 3.8601 (9 Å, respectively.

  3. Novel Br-DPQ blue light-emitting phosphors for OLED.

    Science.gov (United States)

    Dahule, H K; Thejokalyani, N; Dhoble, S J

    2015-06-01

    A new series of blue light-emitting 2,4-diphenylquinoline (DPQ) substituted blue light-emitting organic phosphors namely, 2-(4-methoxy-phenyl)-4-phenyl-quinoline (OMe-DPQ), 2-(4-methyl-phenyl)-4-phenylquinoline (M-DPQ), and 2-(4-bromo-phenyl)-4-phenylquinoline (Br-DPQ) were synthesized by substituting methoxy, methyl and bromine at the 2-para position of DPQ, respectively by Friedländer condensation of 2-aminobenzophenone and corresponding acetophenone. The synthesized phosphors were characterized by different techniques, e.g., Fourier transform infra-red (FTIR), differential scanning calorimeter (DSC), UV-visible absorption and photoluminescence spectra. FTIR spectra confirms the presence of chemical groups such as C=O, NH, or OH in all the three synthesized chromophores. DSC studies show that these complexes have good thermal stability. Although they are low-molecular-weight organic compounds, they have the potential to improve the stability and operating lifetime of a device made out of these complexes. The synthesized polymeric compounds demonstrate a bright emission in the blue region in the wavelength range of 405-450 nm in solid state. Thus the attachment of methyl, methoxy and bromine substituents to the diphenyl quinoline ring in these phosphors results in colour tuning of the phosphorescence. An electroluminescence (EL) cell of Br-DPQ phosphor was made and its EL behaviour was studied. A brightness-voltage characteristics curve of Br-DPQ cell revealed that EL begins at 400 V and then the brightness increases exponentially with applied AC voltage, while current-voltage (I-V) characteristics revealed that the turn on voltage of the fabricated EL cell was 11 V. Hence this phosphor can be used as a promising blue light material for electroluminescent devices. Copyright © 2014 John Wiley & Sons, Ltd.

  4. Structure and dynamics of ringed galaxies

    International Nuclear Information System (INIS)

    Buta, R.J.

    1984-01-01

    In many spiral and SO galaxies, single or multiple ring structures are visible in the disk. These inner rings (r), outer rings (R), and nuclear rings (nr) were investigated by means of morphology, photometry, and spectroscopy in order to provide basic data on a long neglected phenomenon. The metric properties of each ring are investigated and found to correlate with the structure of the parent galaxy. When properly calibrated, inner rings in barred (SB) systems can be used as geometric extragalactic distance indicators to distances in excess of 100 Mpc. Other statistics are presented that confirm previous indications that the rings have preferred shapes, relative sizes, and orientations with respect to bars. A survey is made of the less homogeneous non-barred (SA) ringed systems, and the causes of the inhomogeneity are isolated. It is shown that rings can be identified in multiple-ring SA systems that are exactly analogous to those in barred spirals

  5. Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors.

    Science.gov (United States)

    Swarbrick, Martin E; Beswick, Paul J; Gleave, Robert J; Green, Richard H; Bingham, Sharon; Bountra, Chas; Carter, Malcolm C; Chambers, Laura J; Chessell, Iain P; Clayton, Nick M; Collins, Sue D; Corfield, John A; Hartley, C David; Kleanthous, Savvas; Lambeth, Paul F; Lucas, Fiona S; Mathews, Neil; Naylor, Alan; Page, Lee W; Payne, Jeremy J; Pegg, Neil A; Price, Helen S; Skidmore, John; Stevens, Alexander J; Stocker, Richard; Stratton, Sharon C; Stuart, Alastair J; Wiseman, Joanne O

    2009-08-01

    A novel series of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidine-based cyclooxygenase-2 (COX-2) inhibitors, which have a different arrangement of substituents compared to the more common 1,2-diarylheterocycle based molecules, have been discovered. For example, 2-(butyloxy)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine (47), a member of the 2-pyrimidinyl ether series, has been shown to be a potent and selective inhibitor with a favourable pharmacokinetic profile, high brain penetration and good efficacy in rat models of hypersensitivity.

  6. Multiplicative Structure and Hecke Rings of Generator Matrices for Codes over Quotient Rings of Euclidean Domains

    Directory of Open Access Journals (Sweden)

    Hajime Matsui

    2017-12-01

    Full Text Available In this study, we consider codes over Euclidean domains modulo their ideals. In the first half of the study, we deal with arbitrary Euclidean domains. We show that the product of generator matrices of codes over the rings mod a and mod b produces generator matrices of all codes over the ring mod a b , i.e., this correspondence is onto. Moreover, we show that if a and b are coprime, then this correspondence is one-to-one, i.e., there exist unique codes over the rings mod a and mod b that produce any given code over the ring mod a b through the product of their generator matrices. In the second half of the study, we focus on the typical Euclidean domains such as the rational integer ring, one-variable polynomial rings, rings of Gaussian and Eisenstein integers, p-adic integer rings and rings of one-variable formal power series. We define the reduced generator matrices of codes over Euclidean domains modulo their ideals and show their uniqueness. Finally, we apply our theory of reduced generator matrices to the Hecke rings of matrices over these Euclidean domains.

  7. A New Phenyl Ethyl Glycoside from the Twigs of Acer tegmentosum.

    Science.gov (United States)

    Park, Seonju; Lee, Hwa Young; Nhiem, Nguyen Xuan; Lee, Taek Hwan; Kim, Nanyoung; Cho, Seung Hun; Kim, Seung Hyun

    2015-07-01

    One new phenyl ethyl glycoside, 2-(4-hydroxyphenyl)ethyl-O-α-L-arabinofuranosyl-(1 --> 6)-O-β-D-glucopyranoide (1) and 11 known compounds (2-12) were isolated from the twigs of Acer tegmentosum. Compound 6 showed potent anti-neuroinflammatory activity against the LPS-stimulated BV-2 microglial cells with tNO production of 25.0 ± 2.5 μM and TNF-α concentration of 617.6 ± 47.1 pg/mL at 30 μM.

  8. Attachment style and adjustment to divorce.

    Science.gov (United States)

    Yárnoz-Yaben, Sagrario

    2010-05-01

    Divorce is becoming increasingly widespread in Europe. In this study, I present an analysis of the role played by attachment style (secure, dismissing, preoccupied and fearful, plus the dimensions of anxiety and avoidance) in the adaptation to divorce. Participants comprised divorced parents (N = 40) from a medium-sized city in the Basque Country. The results reveal a lower proportion of people with secure attachment in the sample group of divorcees. Attachment style and dependence (emotional and instrumental) are closely related. I have also found associations between measures that showed a poor adjustment to divorce and the preoccupied and fearful attachment styles. Adjustment is related to a dismissing attachment style and to the avoidance dimension. Multiple regression analysis confirmed that secure attachment and the avoidance dimension predict adjustment to divorce and positive affectivity while preoccupied attachment and the anxiety dimension predicted negative affectivity. Implications for research and interventions with divorcees are discussed.

  9. A study of the efficacy of fathers’ attachment training on paternal-fetal attachment and parental anxiety

    Directory of Open Access Journals (Sweden)

    Sara Setodeh

    2017-12-01

    Full Text Available Background . Attachment behaviors play an important role in accepting the identity of the fathers, the pleasant outcome of pregnancy and the child’s growth and development in the future. Objectives . This study aimed to investigate the effect of father’s attachment training (awaiting a child on paternal-fetal attachment and parental anxiety. Material and methods . This clinical trial was conducted on 150 spouses of eligible pregnant women. In the intervention group, four 90-minute training sessions were designed on maternal-fetal attachment, while the control group received routine prenatal care. The questionnaire of paternal-fetal attachment was completed both before and after intervention in both cases and control groups. Data analysis was done in SPSS software using a paired t-test and independent t-test (the significant level was 0.05. Results . The mean score of attachment was reported as 56.61 ± 6.05 and 64.53 ± 6.94 both before and after intervention, respectively. According to the paired t-test, there was a significant difference in the attachment score after intervention (p < 0.001. According to the independent t-test applied a month after intervention, the comparison of fathers’ anxiety scores before and after intervention showed a significant difference between the control and intervention groups (p < 0.001. Conclusions . Training fathers about attachment skills leads to increased paternal-fetal attachment and a lower anxiety score. Therefore, it seems necessary to include education of fathers in prenatal care.

  10. Binomial Rings: Axiomatisation, Transfer and Classification

    OpenAIRE

    Xantcha, Qimh Richey

    2011-01-01

    Hall's binomial rings, rings with binomial coefficients, are given an axiomatisation and proved identical to the numerical rings studied by Ekedahl. The Binomial Transfer Principle is established, enabling combinatorial proofs of algebraical identities. The finitely generated binomial rings are completely classified. An application to modules over binomial rings is given.

  11. 4-Benzyloxy-1-oxaspiro[4.6]undec-3-en-2-one

    Directory of Open Access Journals (Sweden)

    Jose H. Quintana Mendoza

    2016-10-01

    Full Text Available The title compound, C17H20O3, the cycloheptane ring adopts a slightly distorted chair conformation. The planar five-membered ring is inclined at 57.13 (11° to the phenyl ring of the benzyloxy substituent. In the crystal structure, C—H...O and C—H...π hydrogen bonds generate layers in the ac plane.

  12. AN N-BODY INTEGRATOR FOR GRAVITATING PLANETARY RINGS, AND THE OUTER EDGE OF SATURN'S B RING

    International Nuclear Information System (INIS)

    Hahn, Joseph M.; Spitale, Joseph N.

    2013-01-01

    A new symplectic N-body integrator is introduced, one designed to calculate the global 360° evolution of a self-gravitating planetary ring that is in orbit about an oblate planet. This freely available code is called epi i nt, and it is distinct from other such codes in its use of streamlines to calculate the effects of ring self-gravity. The great advantage of this approach is that the perturbing forces arise from smooth wires of ring matter rather than discreet particles, so there is very little gravitational scattering and so only a modest number of particles are needed to simulate, say, the scalloped edge of a resonantly confined ring or the propagation of spiral density waves. The code is applied to the outer edge of Saturn's B ring, and a comparison of Cassini measurements of the ring's forced response to simulations of Mimas's resonant perturbations reveals that the B ring's surface density at its outer edge is σ 0 = 195 ± 60 g cm –2 , which, if the same everywhere across the ring, would mean that the B ring's mass is about 90% of Mimas's mass. Cassini observations show that the B ring-edge has several free normal modes, which are long-lived disturbances of the ring-edge that are not driven by any known satellite resonances. Although the mechanism that excites or sustains these normal modes is unknown, we can plant such a disturbance at a simulated ring's edge and find that these modes persist without any damping for more than ∼10 5 orbits or ∼100 yr despite the simulated ring's viscosity ν s = 100 cm 2 s –1 . These simulations also indicate that impulsive disturbances at a ring can excite long-lived normal modes, which suggests that an impact in the recent past by perhaps a cloud of cometary debris might have excited these disturbances, which are quite common to many of Saturn's sharp-edged rings

  13. 4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylphenylmethyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H-one ethanol hemisolvate

    Directory of Open Access Journals (Sweden)

    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.

  14. Receptor binding profiles and behavioral pharmacology of ring-substituted N,N-diallyltryptamine analogs.

    Science.gov (United States)

    Klein, Landon M; Cozzi, Nicholas V; Daley, Paul F; Brandt, Simon D; Halberstadt, Adam L

    2018-02-27

    Substantial effort has been devoted toward understanding the psychopharmacological effects of tryptamine hallucinogens, which are thought to be mediated by activation of 5-HT 2A and 5-HT 1A receptors. Recently, several psychoactive tryptamines based on the N,N-diallyltryptamine (DALT) scaffold have been encountered as recreational drugs. Despite the apparent widespread use of DALT derivatives in humans, little is known about their pharmacological properties. We compared the binding affinities of DALT and its 2-phenyl-, 4-acetoxy-, 4-hydroxy-, 5-methoxy-, 5-methoxy-2-methyl-, 5-fluoro-, 5-fluoro-2-methyl-, 5-bromo-, and 7-ethyl-derivatives at 45 receptor and transporter binding sites. Additionally, studies in C57BL/6 J mice examined whether these substances induce the head twitch response (HTR), a 5-HT 2A receptor-mediated response that is widely used as a behavioral proxy for hallucinogen effects in humans. Most of the test drugs bound to serotonin receptors, σ sites, α 2 -adrenoceptors, dopaminergic D 3 receptors, histaminergic H 1 receptors, and the serotonin transporter. DALT and several of the ring-substituted derivatives were active in the HTR assay with the following rank order of potency: 4-acetoxy-DALT > 5-fluoro-DALT > 5-methoxy-DALT > 4-hydroxy-DALT > DALT > 5-bromo-DALT. 2-Phenyl-DALT, 5-methoxy-2-methyl-DALT, 5-fluoro-2-methyl-DALT, and 7-ethyl-DALT did not induce the HTR. HTR potency was not correlated with either 5-HT 1A or 5-HT 2A receptor binding affinity, but a multiple regression analysis indicated that 5-HT 2A and 5-HT 1A receptors make positive and negative contributions, respectively, to HTR potency (R 2  = 0.8729). In addition to supporting the established role of 5-HT 2A receptors in the HTR, these findings are consistent with evidence that 5-HT 1A activation by tryptamine hallucinogens buffers their effects on HTR. Published by Elsevier Ltd.

  15. Galactic rings revisited - I. CVRHS classifications of 3962 ringed galaxies from the Galaxy Zoo 2 Database

    Science.gov (United States)

    Buta, Ronald J.

    2017-11-01

    Rings are important and characteristic features of disc-shaped galaxies. This paper is the first in a series that re-visits galactic rings with the goals of further understanding the nature of the features and for examining their role in the secular evolution of galaxy structure. The series begins with a new sample of 3962 galaxies drawn from the Galaxy Zoo 2 citizen science data base, selected because zoo volunteers recognized a ring-shaped pattern in the morphology as seen in Sloan Digital Sky Survey colour images. The galaxies are classified within the framework of the Comprehensive de Vaucouleurs revised Hubble-Sandage system. It is found that zoo volunteers cued on the same kinds of ring-like features that were recognized in the 1995 Catalogue of Southern Ringed Galaxies. This paper presents the full catalogue of morphological classifications, comparisons with other sources of classifications and some histograms designed mainly to highlight the content of the catalogue. The advantages of the sample are its large size and the generally good quality of the images; the main disadvantage is the low physical resolution that limits the detectability of linearly small rings such as nuclear rings. The catalogue includes mainly inner and outer disc rings and lenses. Cataclysmic (`encounter-driven') rings (such as ring and polar ring galaxies) are recognized in less than 1 per cent of the sample.

  16. Place attachment and natural environmental risk

    DEFF Research Database (Denmark)

    Bonaiuto, Marino; Alves, Susana; De Dominicis, Stefano

    2016-01-01

    Little is known about place attachment affecting natural environmental risk perception and coping. A systematic search of social science databases revealed 31 works (1996–2016) directly addressing place attachment in relation to different types of natural hazard risks (e.g., seismic, volcanic, etc.......). Across different contexts, the research shows: (a) positive and/or negative relationships between place attachment and natural environmental risk perception; (b) positive and/or negative relationships between place attachment and risk coping; and (c) mediating and moderating relationships. In particular......, results show that: (a) highly attached individuals perceive natural environmental risks but underestimate their potential effects; (b) highly attached individuals are unwilling to relocate when facing natural environmental risks and more likely to return to risky areas after a natural environmental...

  17. The /sup 13/C-/sup 13/C spin-spin coupling constants and the conformational equilibrium of alkyl phenyl sulfides

    Energy Technology Data Exchange (ETDEWEB)

    Krividin, L.B.; Kalabin, G.A.

    1985-08-10

    The authors measure the direct geminal and vicinal spinspin coupling constants between the C-13 nuclei of the phenyl group in the series of alkyl phenyl sulfides C/sub 6/H/sub 5/SR. It was shown that the variation in most of the discussed constants is determined by the ratio of the planar and orthogonal conformers. Linear relationships were obtained between the C-13-C-13 constants and the fractions of the planar conformer. The C-13-C-13 spin-spin coupling constants in the planar and orthogonal conformers of the compounds were calculated by means of empirical relationships.

  18. Quantum Fourier Transform Over Galois Rings

    OpenAIRE

    Zhang, Yong

    2009-01-01

    Galois rings are regarded as "building blocks" of a finite commutative ring with identity. There have been many papers on classical error correction codes over Galois rings published. As an important warm-up before exploring quantum algorithms and quantum error correction codes over Galois rings, we study the quantum Fourier transform (QFT) over Galois rings and prove it can be efficiently preformed on a quantum computer. The properties of the QFT over Galois rings lead to the quantum algorit...

  19. Attachment styles and contingencies of self-worth.

    Science.gov (United States)

    Park, Lora E; Crocker, Jennifer; Mickelson, Kristin D

    2004-10-01

    Previous research on attachment theory has focused on mean differences in level of self-esteem among people with different attachment styles. The present study examines the associations between attachment styles and different bases of self-esteem, or contingencies of self-worth, among a sample of 795 college students. Results showed that attachment security was related to basing self-worth on family support. Both the preoccupied attachment style and fearful attachment style were related to basing self-worth on physical attractiveness. The dismissing attachment style was related to basing self-worth less on others' approval, family support, and God's love.

  20. Crystal structures of 4-meth-oxy-N-(4-methyl-phenyl)benzene-sulfonamide and N-(4-fluoro-phenyl)-4-meth-oxy-benzene-sulfonamide.

    Science.gov (United States)

    Rodrigues, Vinola Z; Preema, C P; Naveen, S; Lokanath, N K; Suchetan, P A

    2015-11-01

    Crystal structures of two N-(ar-yl)aryl-sulfonamides, namely, 4-meth-oxy-N-(4-methyl-phen-yl)benzene-sulfonamide, C14H15NO3S, (I), and N-(4-fluoro-phen-yl)-4-meth-oxy-benzene-sulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N-H⋯O hydrogen bonds form infinite C(4) chains extended in [010], and inter-molecular C-H⋯πar-yl inter-actions link these chains into layers parallel to the ab plane. The crystal structure of (II) features N-H⋯O hydrogen bonds forming infinite one dimensional C(4) chains along [001]. Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

  1. Novel manifestations of the Aharonov-Bohm effect in quantum rings and Moebius rings

    International Nuclear Information System (INIS)

    Fomin, Vladimir M.

    2013-01-01

    - An overview is given on the recent experimental and theoretical advancements in studies of novel manifestations of the Aharonov-Bohm quantum-interference effect for excitons confined to self assembled quantum rings and other semiconductor nanostructures with ring-like states of charge carriers as well as for electrons in Moebius rings at the micro- and nanoscale. The exciton Aharonov-Bohm effect can be effectively controlled by an out-of-plane magnetic field, a vertical electric field, a spin disorder. A 'delocalization-to-localization' transition for the electron ground state occurs in a Moebius ring as it is made more inhomogeneous. (authors)

  2. Ring closure in actin polymers

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Supurna, E-mail: supurna@rri.res.in [Raman Research Institute, Bangalore 560080 (India); Chattopadhyay, Sebanti [Doon University, Dehradun 248001 (India)

    2017-03-18

    We present an analysis for the ring closure probability of semiflexible polymers within the pure bend Worm Like Chain (WLC) model. The ring closure probability predicted from our analysis can be tested against fluorescent actin cyclization experiments. We also discuss the effect of ring closure on bend angle fluctuations in actin polymers. - Highlights: • Ring closure of biopolymers. • Worm like chain model. • Predictions for experiments.

  3. On P-coherent endomorphism rings

    Indian Academy of Sciences (India)

    A ring is called right -coherent if every principal right ideal is finitely presented. Let M R be a right -module. We study the -coherence of the endomorphism ring of M R . It is shown that is a right -coherent ring if and only if every endomorphism of M R has a pseudokernel in add M R ; S is a left -coherent ring if and ...

  4. Luminescent cyclometalated alkynylgold(III) complexes with 6-phenyl-2,2'-bipyridine derivatives: synthesis, characterization, electrochemistry, photophysics, and computational studies.

    Science.gov (United States)

    Au, Vonika Ka-Man; Lam, Wai Han; Wong, Wing-Tak; Yam, Vivian Wing-Wah

    2012-07-16

    A novel class of luminescent gold(III) complexes containing various tridentate cyclometalating ligands derived from 6-phenyl-2,2'-bipyridine and alkynyl ligands, [Au(RC^N^N)(C≡C-R')]PF(6), has been successfully synthesized and characterized. One of the complexes has also been determined by X-ray crystallography. Electrochemical studies show a ligand-centered reduction originated from the cyclometalating RC^N^N ligands as well as an alkynyl-centered oxidation. The electronic absorption and photoluminescence properties of the complexes have also been investigated. In acetonitrile at room temperature, the complexes show intense absorption at higher energy region with wavelength shorter than 320 nm, and a moderately intense broad absorption band at 374-406 nm, assigned as the metal-perturbed intraligand π-π* transition of the cyclometalating RC(∧)N(∧)N ligand, with some charge transfer character from the aryl ring to the bipyridine moiety. Most of the complexes have been observed to show vibronic-structured emission bands at 469-550 nm in butyronitile glass at 77 K, assigned to an intraligand excited state of the RC^N^N ligand, with some charge transfer character from the aryl to the bipyridyine moiety. Insights into the origin of the absorption and emission have also been provided by density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations.

  5. Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

    Science.gov (United States)

    Renjith, R.; Sheena Mary, Y.; Tresa Varghese, Hema; Yohannan Panicker, C.; Thiemann, Thies; Shereef, Anas; Al-Saadi, Abdulaziz A.

    2015-12-01

    FT-IR and FT-Raman spectra of 1-hydroxy-4,5,8-tris(4-methoxyphenyl)anthraquinone were recorded and analyzed. The vibrational wavenumbers were computed using DFT quantum chemical calculations. The data obtained from wavenumber calculations were used to assign the vibrational bands obtained experimentally. A detailed molecular picture of the title compound and its interactions were obtained from NBO analysis. From the MEP plot it is clear that the negative electrostatic potential regions are mainly localized over carbonyl group. There is some evidence of a region of negative electrostatic potential due to π-electron density of the benzo groups. Molecular docking study shows that methoxy groups attached to the phenyl rings and hydroxyl group are crucial for binding and the title compound might exhibit inhibitory activity against PI3K and may act as an anti-neoplastic agent.

  6. (E-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylideneethyl]-2H-pyran-2-one

    Directory of Open Access Journals (Sweden)

    Samra Rahmouni

    2016-05-01

    Full Text Available The title compound, C14H14N2O3, crystallized with three crystallographically independent molecules (A, B and C in the asymmetric unit. The three molecules each have an E conformation about the C=N bond but differ in the orientation of the phenyl and pyran rings. The dihedral angles between the phenyl and pyran ring planes are 14.30 (1, 28.38 (1 and 25.58 (1° in molecules A, B and C, respectively. There is an intramolecular O—H...N hydrogen bond in each molecule with an S(6 ring motif. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming layers parallel to (001, enclosing R22(8 and R33(21 ring motifs. The layers are linked via C—H...π interactions, forming bilayers, which are joined by a further C—H...π interaction, forming a three-dimensional structure.

  7. Introduction: attachment theory and psychotherapy.

    Science.gov (United States)

    Levy, Kenneth N

    2013-11-01

    In this introduction to the JCLP: In Session 69(11) issue on attachment theory and psychotherapy, the key points of attachment theory (Bowlby, , , 1981) and its relevance to psychotherapy are briefly described. The aim of this issue is to provide case illustrations of how an attachment theory perspective and principles can expand our understanding of psychotherapy practice. © 2013 Wiley Periodicals, Inc.

  8. Faithfully quadratic rings

    CERN Document Server

    Dickmann, M

    2015-01-01

    In this monograph the authors extend the classical algebraic theory of quadratic forms over fields to diagonal quadratic forms with invertible entries over broad classes of commutative, unitary rings where -1 is not a sum of squares and 2 is invertible. They accomplish this by: (1) Extending the classical notion of matrix isometry of forms to a suitable notion of T-isometry, where T is a preorder of the given ring, A, or T = A^2. (2) Introducing in this context three axioms expressing simple properties of (value) representation of elements of the ring by quadratic forms, well-known to hold in

  9. BERKELEY: ALS ring

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1993-06-15

    Everybody at Lawrence Berkeley Laboratory's Center for Beam Physics is pleased with the rapid progress in commissioning LBL's Advanced Light Source (ALS) electron storage ring, the foundation for this third-generation synchrotron radiation facility. Designed for a maximum current of 400 mA, the ALS storage ring reached 407 mA just 24 days after storing the first beam on 16 March. ALS construction as a US Department of Energy (DOE) national user facility to provide high-brightness vacuum ultra-violet and soft x-ray radiation began in October 1987. One technical requirement marking project completion was to accumulate a 50-mA current in the storage ring. The ALS passed this milestone on 24 March, a week ahead of the official deadline. Once injected, the electron beam decays quasi-exponentially primarily because of interactions with residual gas molecules in the storage-ring vacuum chamber. Eventually, when the pressure in the vacuum chamber with beam decreases toward the expected operating level of 1 nano Torr, it will only be necessary to refill the storage ring at intervals of four to eight hours. At present the vacuum is improving rapidly as surfaces are irradiated (scrubbed) by the synchrotron radiation itself. At 100 mA, beam lifetime was about one hour (9 April)

  10. Compressible Vortex Ring

    Science.gov (United States)

    Elavarasan, Ramasamy; Arakeri, Jayawant; Krothapalli, Anjaneyulu

    1999-11-01

    The interaction of a high-speed vortex ring with a shock wave is one of the fundamental issues as it is a source of sound in supersonic jets. The complex flow field induced by the vortex alters the propagation of the shock wave greatly. In order to understand the process, a compressible vortex ring is studied in detail using Particle Image Velocimetry (PIV) and shadowgraphic techniques. The high-speed vortex ring is generated from a shock tube and the shock wave, which precedes the vortex, is reflected back by a plate and made to interact with the vortex. The shadowgraph images indicate that the reflected shock front is influenced by the non-uniform flow induced by the vortex and is decelerated while passing through the vortex. It appears that after the interaction the shock is "split" into two. The PIV measurements provided clear picture about the evolution of the vortex at different time interval. The centerline velocity traces show the maximum velocity to be around 350 m/s. The velocity field, unlike in incompressible rings, contains contributions from both the shock and the vortex ring. The velocity distribution across the vortex core, core diameter and circulation are also calculated from the PIV data.

  11. BERKELEY: ALS ring

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    Everybody at Lawrence Berkeley Laboratory's Center for Beam Physics is pleased with the rapid progress in commissioning LBL's Advanced Light Source (ALS) electron storage ring, the foundation for this third-generation synchrotron radiation facility. Designed for a maximum current of 400 mA, the ALS storage ring reached 407 mA just 24 days after storing the first beam on 16 March. ALS construction as a US Department of Energy (DOE) national user facility to provide high-brightness vacuum ultra-violet and soft x-ray radiation began in October 1987. One technical requirement marking project completion was to accumulate a 50-mA current in the storage ring. The ALS passed this milestone on 24 March, a week ahead of the official deadline. Once injected, the electron beam decays quasi-exponentially primarily because of interactions with residual gas molecules in the storage-ring vacuum chamber. Eventually, when the pressure in the vacuum chamber with beam decreases toward the expected operating level of 1 nano Torr, it will only be necessary to refill the storage ring at intervals of four to eight hours. At present the vacuum is improving rapidly as surfaces are irradiated (scrubbed) by the synchrotron radiation itself. At 100 mA, beam lifetime was about one hour (9 April)

  12. Accidental ingestion of BiTine ring and a note on inefficient ring separation forceps

    Directory of Open Access Journals (Sweden)

    Baghele ON

    2011-05-01

    Full Text Available Om Nemichand Baghele1, Mangala Om Baghele21Department of Periodontology, SMBT Dental College and Hospital, Sangamner, Ahmednagar, Maharashtra, India; 2Private General Dental Practice, Mumbai, IndiaBackground: Accidental ingestion of medium-to-large instruments is relatively uncommon during dental treatment but can be potentially dangerous. A case of BiTine ring ingestion is presented with a note on inefficient ring separation forceps.Case description: A 28-year-old male patient accidentally ingested the BiTine ring (2 cm diameter, 0.5 cm outward projections while it was being applied to a distoproximal cavity in tooth # 19. The ring placement forceps were excessively flexible; bending of the beaks towards the ring combined with a poor no-slippage mechanism led to sudden disengagement of the ring and accelerated movement towards the pharynx. We followed the patient with bulk forming agents and radiographs. Fortunately the ring passed out without any complications.Clinical implications: Checking equipment and methods is as important as taking precautions against any preventable medical emergency. It is the responsibility of the clinician to check, verify and then use any instrument/equipment.Keywords: foreign bodies/radiography, foreign bodies/complications, equipment failure, dental instrument, accidental ingestion

  13. Everything You Want To Know about Attachment.

    Science.gov (United States)

    Honig, Alice Sterling

    This paper discusses infant attachment, which it defines as a long-lasting emotional bond revealed when a child under stress seeks out and tries to stay close to a specific figure. The paper addresses: (1) What is attachment? Who are the pioneers in attachment theory?; (2) How do we notice attachment in action?; (3) Is attachment the only…

  14. Phenotypes of Non-Attached Pseudomonas aeruginosa Aggregates Resemble Surface Attached Biofilm

    DEFF Research Database (Denmark)

    Alhede, Morten; Kragh, Kasper Nørskov; Qvortrup, Klaus

    2011-01-01

    For a chronic infection to be established, bacteria must be able to cope with hostile conditions such as low iron levels, oxidative stress, and clearance by the host defense, as well as antibiotic treatment. It is generally accepted that biofilm formation facilitates tolerance to these adverse......, RT-PCR as well as traditional culturing techniques to study the properties of Pseudomonas aeruginosa aggregates. We found that non-attached aggregates from stationary-phase cultures have comparable growth rates to surface attached biofilms. The growth rate estimations indicated that, independently...... were also found to be strikingly similar to flow-cell biofilms. Our data indicate that the tolerance of both biofilms and non-attached aggregates towards antibiotics is reversible by physical disruption. We provide evidence that the antibiotic tolerance is likely to be dependent on both...

  15. Association Between Insecure Attachment and ADHD

    DEFF Research Database (Denmark)

    Storebø, Ole Jakob; Rasmussen, Pernille Darling; Simonsen, Erik

    2016-01-01

    OBJECTIVE: Psychological theories have postulated an association between insecure attachment and ADHD. The objective of this study is to investigate possible association between insecure attachment and ADHD in children and adults. METHOD: Review of literature was performed using the Psyc......INFO, Medline, and EMBASE databases. RESULTS: Twenty-nine studies were included in the review. Overall, the studies showed that parental attachment problems and environmental mediating factors were significantly associated with childhood ADHD. Adults with ADHD had a much higher incidence of insecure attachment...... styles than reported in the general population. CONCLUSION: There seems to be a clear association between ADHD and insecure attachment. It is likely that early intervention in the form of parent training and pharmacological treatment may prevent development of attachment problems. But such studies have...

  16. On the Laurent polynomial rings

    International Nuclear Information System (INIS)

    Stefanescu, D.

    1985-02-01

    We describe some properties of the Laurent polynomial rings in a finite number of indeterminates over a commutative unitary ring. We study some subrings of the Laurent polynomial rings. We finally obtain two cancellation properties. (author)

  17. Priming the Secure Attachment Schema Affects the Emotional Face Processing Bias in Attachment Anxiety: An fMRI Research

    Directory of Open Access Journals (Sweden)

    Xu Chen

    2017-04-01

    Full Text Available Our study explored how priming with a secure base schema affects the processing of emotional facial stimuli in individuals with attachment anxiety. We enrolled 42 undergraduate students between 18 and 27 years of age, and divided them into two groups: attachment anxiety and attachment secure. All participants were primed under two conditions, the secure priming using references to the partner, and neutral priming using neutral references. We performed repeated attachment security priming combined with a dual-task paradigm and functional magnetic resonance imaging. Participants’ reaction times in terms of responding to the facial stimuli were also measured. Attachment security priming can facilitate an individual’s processing of positive emotional faces; for instance, the presentation of the partner’s name was associated with stronger activities in a wide range of brain regions and faster reaction times for positive facial expressions in the subjects. The current finding of higher activity in the left-hemisphere regions for secure priming rather than neutral priming is consistent with the prediction that attachment security priming triggers the spread of the activation of a positive emotional state. However, the difference in brain activity during processing of both, positive and negative emotional facial stimuli between the two priming conditions appeared in the attachment anxiety group alone. This study indicates that the effect of attachment secure priming on the processing of emotional facial stimuli could be mediated by chronic attachment anxiety. In addition, it highlights the association between higher-order processes of the attachment system (secure attachment schema priming and early-stage information processing system (attention, given the increased attention toward the effects of secure base schema on the processing of emotion- and attachment-related information among the insecure population. Thus, the following study has

  18. The Hi-Ring DCN Architecture

    DEFF Research Database (Denmark)

    Galili, Michael; Kamchevska, Valerija; Ding, Yunhong

    2016-01-01

    We will review recent work on the proposed hierarchical ring-based architecture (HiRing) proposed for data center networks. We will discuss the architecture and initial demonstrations of optical switching performance and time-domain synchronization......We will review recent work on the proposed hierarchical ring-based architecture (HiRing) proposed for data center networks. We will discuss the architecture and initial demonstrations of optical switching performance and time-domain synchronization...

  19. Dual enzymatic dynamic kinetic resolution by Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase and Candida antarctica lipase B

    KAUST Repository

    Karume, Ibrahim

    2016-10-04

    The immobilization of Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase (TeSADH) using sol–gel method enables its use to racemize enantiopure alcohols in organic media. Here, we report the racemization of enantiopure phenyl-ring-containing secondary alcohols using xerogel-immobilized W110A TeSADH in hexane rather than the aqueous medium required by the enzyme. We further showed that this racemization approach in organic solvent was compatible with Candida antarctica lipase B (CALB)-catalyzed kinetic resolution. This compatibility, therefore, allowed a dual enzymatic dynamic kinetic resolution of racemic alcohols using CALB-catalyzed kinetic resolution and W110A TeSADH-catalyzed racemization of phenyl-ring-containing alcohols.

  20. N-(3-Chlorophenylmaleamic acid

    Directory of Open Access Journals (Sweden)

    B. Thimme Gowda

    2010-07-01

    Full Text Available In the title compound, C10H8ClNO3, the molecular conformation is stabilized by two intramolecular hydrogen bonds. The first is a short O—H...O hydrogen bond within the maleamic acid unit and the second is a C—H...O hydrogen bond which connects the amide group with the phenyl ring. The maleamic acid unit is essentially planar, with an r.m.s. deviation of 0.044 Å, and makes a dihedral angle of 15.2 (1° with the phenyl ring. In the crystal, intermolecular N—H...O hydrogen bonds link the molecules into C(7 chains running [010].

  1. Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

    Energy Technology Data Exchange (ETDEWEB)

    Saja, D; Joe, I Hubert; Jayakumar, V S [Department of Physics, Mar Ivanios College, Thiruvananthapuram-695015, Kerala (India)

    2006-01-01

    The NIR-FT Raman, FT-IR spectral analysis of potential NLO material P-Amino Acetanilide is carried out by density functional computations. The optimized geometry shows that NH2 and NHCOCH3 groups substituted in para position of phenyl ring are non-planar which predicts maximum conjugation of molecule with donor and acceptor groups. Vibrational analysis reveals that simultaneous IR and Raman activation of the phenyl ring modes also provide evidence for the charge transfer interaction between the donors and the acceptor can make the molecule highly polarized and the intra molecular charge transfer interaction must be responsible for the NLO properties of PAA.

  2. Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

    International Nuclear Information System (INIS)

    Saja, D; Joe, I Hubert; Jayakumar, V S

    2006-01-01

    The NIR-FT Raman, FT-IR spectral analysis of potential NLO material P-Amino Acetanilide is carried out by density functional computations. The optimized geometry shows that NH2 and NHCOCH3 groups substituted in para position of phenyl ring are non-planar which predicts maximum conjugation of molecule with donor and acceptor groups. Vibrational analysis reveals that simultaneous IR and Raman activation of the phenyl ring modes also provide evidence for the charge transfer interaction between the donors and the acceptor can make the molecule highly polarized and the intra molecular charge transfer interaction must be responsible for the NLO properties of PAA

  3. How to remove the spurious resonances from ring polymer molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Rossi, Mariana; Manolopoulos, David E. [Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Ceriotti, Michele [Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne, 1015 Lausanne (Switzerland)

    2014-06-21

    Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual differences, practical implementations of these methods differ in just two respects: the choice of the Parrinello-Rahman mass matrix and whether or not a thermostat is applied to the internal modes of the ring polymer during the dynamics. Here, we explore a method which is halfway between the two approximations: we keep the path integral bead masses equal to the physical particle masses but attach a Langevin thermostat to the internal modes of the ring polymer during the dynamics. We justify this by showing analytically that the inclusion of an internal mode thermostat does not affect any of the established features of RPMD: thermostatted RPMD is equally valid with respect to everything that has actually been proven about the method as RPMD itself. In particular, because of the choice of bead masses, the resulting method is still optimum in the short-time limit, and the transition state approximation to its reaction rate theory remains closely related to the semiclassical instanton approximation in the deep quantum tunneling regime. In effect, there is a continuous family of methods with these properties, parameterised by the strength of the Langevin friction. Here, we explore numerically how the approximation to quantum dynamics depends on this friction, with a particular emphasis on vibrational spectroscopy. We find that a broad range of frictions approaching optimal damping give similar results, and that these results are immune to both the resonance problem of RPMD and the curvature problem of CMD.

  4. How to remove the spurious resonances from ring polymer molecular dynamics

    International Nuclear Information System (INIS)

    Rossi, Mariana; Manolopoulos, David E.; Ceriotti, Michele

    2014-01-01

    Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual differences, practical implementations of these methods differ in just two respects: the choice of the Parrinello-Rahman mass matrix and whether or not a thermostat is applied to the internal modes of the ring polymer during the dynamics. Here, we explore a method which is halfway between the two approximations: we keep the path integral bead masses equal to the physical particle masses but attach a Langevin thermostat to the internal modes of the ring polymer during the dynamics. We justify this by showing analytically that the inclusion of an internal mode thermostat does not affect any of the established features of RPMD: thermostatted RPMD is equally valid with respect to everything that has actually been proven about the method as RPMD itself. In particular, because of the choice of bead masses, the resulting method is still optimum in the short-time limit, and the transition state approximation to its reaction rate theory remains closely related to the semiclassical instanton approximation in the deep quantum tunneling regime. In effect, there is a continuous family of methods with these properties, parameterised by the strength of the Langevin friction. Here, we explore numerically how the approximation to quantum dynamics depends on this friction, with a particular emphasis on vibrational spectroscopy. We find that a broad range of frictions approaching optimal damping give similar results, and that these results are immune to both the resonance problem of RPMD and the curvature problem of CMD

  5. Preparation of (+)- and (-)- β-phenyl- and β-(4-chlorophenyl)-γ- butyro lactones: Key intermediates in the synthesis of β-phenyl-Gaba and baclofene

    Energy Technology Data Exchange (ETDEWEB)

    Gomez G, J.; Melendez R, M.; Suarez C, O. R.; Castelan D, L. E.; Fragoso V, M. J.; Lopez V, E.; Sanchez Z, M., E-mail: melendez@uaeh.edu.mx [Universidad Autonoma del Estado de Hidalgo, Area Academica de Quimica, Carretera Pachuca-Tulancingo Km. 4.5, Mineral de la Reforma 42184, Hidalgo (Mexico)

    2014-07-01

    the preparation of β-phenyl- and β-(4-chlorophenyl)-γ-butyro lactones (±)-4 and their resolution to the corresponding (+)-(S)-3, (-)-(R)-3 and (+)-(S)-4, (-)-(R)-4 through formation, flash column chromatography separation and subsequent hydrolysis of dia stereoisomeric 4-hydroxybutyramide s (2'R,3S)-5, (2'R,3R)-5, (2'R,3S)-6 and (2'R,3R)-6 is described. The absolute configuration assignment of enantiopure 3 and 4 was supported by X-ray crystallographic structures of (2'R,3R)-5, (2'R,3S)-6 and (2'R,3R)-6. (Author)

  6. Preparation of (+)- and (-)- β-phenyl- and β-(4-chlorophenyl)-γ- butyro lactones: Key intermediates in the synthesis of β-phenyl-Gaba and baclofene

    International Nuclear Information System (INIS)

    Gomez G, J.; Melendez R, M.; Suarez C, O. R.; Castelan D, L. E.; Fragoso V, M. J.; Lopez V, E.; Sanchez Z, M.

    2014-01-01

    the preparation of β-phenyl- and β-(4-chlorophenyl)-γ-butyro lactones (±)-4 and their resolution to the corresponding (+)-(S)-3, (-)-(R)-3 and (+)-(S)-4, (-)-(R)-4 through formation, flash column chromatography separation and subsequent hydrolysis of dia stereoisomeric 4-hydroxybutyramide s (2'R,3S)-5, (2'R,3R)-5, (2'R,3S)-6 and (2'R,3R)-6 is described. The absolute configuration assignment of enantiopure 3 and 4 was supported by X-ray crystallographic structures of (2'R,3R)-5, (2'R,3S)-6 and (2'R,3R)-6. (Author)

  7. EBT ring physics

    International Nuclear Information System (INIS)

    Uckan, N.A.

    1980-04-01

    This workshop attempted to evaluate the status of the current experimental and theoretical understanding of hot electron ring properties. The dominant physical processes that influence ring formation, scaling, and their optimal behavior are also studied. Separate abstracts were prepared for each of the 27 included papers

  8. Observational attachment theory-based parenting measures predict children's attachment narratives independently from social learning theory-based measures.

    Science.gov (United States)

    Matias, Carla; O'Connor, Thomas G; Futh, Annabel; Scott, Stephen

    2014-01-01

    Conceptually and methodologically distinct models exist for assessing quality of parent-child relationships, but few studies contrast competing models or assess their overlap in predicting developmental outcomes. Using observational methodology, the current study examined the distinctiveness of attachment theory-based and social learning theory-based measures of parenting in predicting two key measures of child adjustment: security of attachment narratives and social acceptance in peer nominations. A total of 113 5-6-year-old children from ethnically diverse families participated. Parent-child relationships were rated using standard paradigms. Measures derived from attachment theory included sensitive responding and mutuality; measures derived from social learning theory included positive attending, directives, and criticism. Child outcomes were independently-rated attachment narrative representations and peer nominations. Results indicated that Attachment theory-based and Social Learning theory-based measures were modestly correlated; nonetheless, parent-child mutuality predicted secure child attachment narratives independently of social learning theory-based measures; in contrast, criticism predicted peer-nominated fighting independently of attachment theory-based measures. In young children, there is some evidence that attachment theory-based measures may be particularly predictive of attachment narratives; however, no single model of measuring parent-child relationships is likely to best predict multiple developmental outcomes. Assessment in research and applied settings may benefit from integration of different theoretical and methodological paradigms.

  9. Next Steps in Attachment Theory.

    Science.gov (United States)

    Bell, David C

    2012-12-01

    Thanks to the phenomenal success of attachment theory, great progress has been made in understanding child and adult relationships. The success of attachment theory opens the way to new research directions that can extend its successes even further. In particular, more work on the fundamental nature of attachment that respects recent biological research is important, as is concentrated effort on the related caregiving system.

  10. Next Steps in Attachment Theory

    OpenAIRE

    Bell, David C.

    2012-01-01

    Thanks to the phenomenal success of attachment theory, great progress has been made in understanding child and adult relationships. The success of attachment theory opens the way to new research directions that can extend its successes even further. In particular, more work on the fundamental nature of attachment that respects recent biological research is important, as is concentrated effort on the related caregiving system.

  11. Ground Movement in SSRL Ring

    International Nuclear Information System (INIS)

    Sunikumar, Nikita

    2011-01-01

    Users of the Stanford Synchrotron Radiation Lightsource (SSRL) are being affected by diurnal motion of the synchrotron's storage ring, which undergoes structural changes due to outdoor temperature fluctuations. In order to minimize the effects of diurnal temperature fluctuations, especially on the vertical motion of the ring floor, scientists at SSRL tried three approaches: painting the storage ring white, covering the asphalt in the middle of the ring with highly reflective Mylar and installing Mylar on a portion of the ring roof and walls. Vertical motion in the storage ring is measured by a Hydrostatic Leveling System (HLS), which calculates the relative height of water in a pipe that extends around the ring. The 24-hr amplitude of the floor motion was determined using spectral analysis of HLS data, and the ratio of this amplitude before and after each experiment was used to quantitatively determine the efficacy of each approach. The results of this analysis showed that the Mylar did not have any significant effect on floor motion, although the whitewash project did yield a reduction in overall HLS variation of 15 percent. However, further analysis showed that the reduction can largely be attributed to a few local changes rather than an overall reduction in floor motion around the ring. Future work will consist of identifying and selectively insulating these local regions in order to find the driving force behind diurnal floor motion in the storage ring.

  12. Genetic and caregiving-based contributions to infant attachment: unique associations with distress reactivity and attachment security.

    Science.gov (United States)

    Raby, K Lee; Cicchetti, Dante; Carlson, Elizabeth A; Cutuli, J J; Englund, Michelle M; Egeland, Byron

    2012-09-01

    In the longitudinal study reported here, we examined genetic and caregiving-based contributions to individual differences in infant attachment classifications. For 154 mother-infant pairs, we rated mothers' responsiveness to their 6-month-old infants during naturalistic interactions and classified infants' attachment organization at 12 and 18 months using the Strange Situation procedure. These infants were later genotyped with respect to the serotonin-transporter-linked polymorphic region (5-HTTLPR). Maternal responsiveness uniquely predicted infants' attachment security. Infants' 5-HTTLPR variation uniquely predicted their subtype of attachment security at 12 months and their subtype of attachment insecurity at 12 and 18 months. The short allele for 5-HTTLPR was associated with attachment classifications characterized by higher emotional distress. These findings suggest that 5-HTTLPR variation contributes to infants' emotional reactivity and that the degree to which caregivers are responsive influences how effectively infants use their caregivers for emotion regulation. Theoretical implications for the study of genetic and caregiving influences are discussed.

  13. The construction of the CMS electromagnetic calorimeter: delivery of the 3rd and 4th endcap "Dees" and Ring Flanges to CERN

    CERN Multimedia

    2006-01-01

    Delivery of the 3rd and 4th Dees and Ring Flanges of the CMS-ECAL endcaps to CERN. The pictures show also an endcap crystal with its VPT (Vacuum PhotoTriode), the aluminium blackplates of the endcap Dees and four mock supercrystals (5x5 crystals) attached in their position on the backplate, along with 138 positional spacers. Finally, endcap assembly in the CMS construction hall in Cessy (neighbouring France) is also shown.

  14. Attachment Security and Pain

    DEFF Research Database (Denmark)

    Andersen, Tonny Elmose; Lahav, Yael; Defrin, Ruth

    2015-01-01

    The present study assesses for the first time, the possible disruption effect of posttraumatic stress symptoms (PTSS) with regard to the protective role of attachment on pain, among ex-POWs. While secure attachment seems to serve as a buffer, decreasing the perception of pain, this function may...

  15. Attachment and Temperament Revisited: Infant Distress, Attachment Disorganization, and the Serotonin Transporter Polymorphism.

    Science.gov (United States)

    Brumariu, Laura E; Bureau, Jean-François; Nemoda, Zsofia; Sasvari-Szekely, Maria; Lyons-Ruth, Karlen

    This study's aim was to evaluate whether infant disorganized attachment and infant proneness to distress exhibited differential relations to infant genetic factors as indexed by the serotonin transporter polymorphism. The role of the short allele of the serotonin transporter polymorphism (5-HTTLPR) in enhancing sensitivity to fearful and negative affect has been well-established (Canli & Lesch, 2007). In the current study, we used this known property of the short allele to provide a test of an important postulate of attachment theory, namely that infant attachment security or disorganization is not a function of the infant's proneness to distress. Participants were 39 parents and infants assessed between 12 and 18 months in the Strange Situation procedure. Genotype categories for the 5-HTTLPR (and rs25531) were created by both the original and the reclassified grouping system; infant proneness to distress was assessed directly in the Strange Situation Procedure. We also assessed maternal behavior at 18 months to evaluate whether any observed genetic effect indicated a passive effect through the mother. Consistent with previous findings, the 5-HTTLPR short allele was significantly related to the infant's wariness and distress, but was not related to attachment security or attachment disorganization. In addition, maternal disrupted interaction with the infant was not related to infant genotype or infant distress. Results support the concept that infant proneness to distress is associated with serotonergic factors while infant attachment security or disorganization is not a function of either 5-HTTLPR or behaviorally rated proneness to distress.

  16. Photochemical oxidation processes for the elimination of phenyl-urea herbicides in waters

    International Nuclear Information System (INIS)

    Benitez, F. Javier; Real, Francisco J.; Acero, Juan L.; Garcia, Carolina

    2006-01-01

    Four phenyl-urea herbicides (linuron, chlorotoluron, diuron, and isoproturon) were individually photooxidized by monochromatic UV radiation in ultra-pure aqueous solutions. The influence of pH and temperature on the photodegradation process was established, and the first-order rate constants and quantum yields were evaluated. The sequence of photodecomposition rates was: linuron > chlorotoluron > diuron > isoproturon. The simultaneous photooxidation of mixtures of the selected herbicides in several types of waters was then performed by means of UV radiation alone, and by UV radiation combined with hydrogen peroxide. The types of waters used were: ultra-pure water, a commercial mineral water, a groundwater, and a lake water. The influence of the independent variables in these processes - the presence or absence of tert-butyl alcohol, types of herbicide and waters, and concentration of hydrogen peroxide - were established and discussed. A kinetic study was performed using a competitive kinetic model that allowed various rate constants to be evaluated for each herbicide. This kinetic model allows one to predict the elimination of these phenyl-urea herbicides in contaminated waters by the oxidation systems used (UV alone and combined UV/H 2 O 2 ). The herbicide concentrations predicted by this model agree well with the experimental results that were obtained

  17. Photochemical oxidation processes for the elimination of phenyl-urea herbicides in waters

    Energy Technology Data Exchange (ETDEWEB)

    Benitez, F. Javier [Departamento de Ingenieria Quimica y Energetica, Universidad de Extremadura, 06071 Badajoz (Spain)]. E-mail: javben@unex.es; Real, Francisco J. [Departamento de Ingenieria Quimica y Energetica, Universidad de Extremadura, 06071 Badajoz (Spain); Acero, Juan L. [Departamento de Ingenieria Quimica y Energetica, Universidad de Extremadura, 06071 Badajoz (Spain); Garcia, Carolina [Departamento de Ingenieria Quimica y Energetica, Universidad de Extremadura, 06071 Badajoz (Spain)

    2006-11-16

    Four phenyl-urea herbicides (linuron, chlorotoluron, diuron, and isoproturon) were individually photooxidized by monochromatic UV radiation in ultra-pure aqueous solutions. The influence of pH and temperature on the photodegradation process was established, and the first-order rate constants and quantum yields were evaluated. The sequence of photodecomposition rates was: linuron > chlorotoluron > diuron > isoproturon. The simultaneous photooxidation of mixtures of the selected herbicides in several types of waters was then performed by means of UV radiation alone, and by UV radiation combined with hydrogen peroxide. The types of waters used were: ultra-pure water, a commercial mineral water, a groundwater, and a lake water. The influence of the independent variables in these processes - the presence or absence of tert-butyl alcohol, types of herbicide and waters, and concentration of hydrogen peroxide - were established and discussed. A kinetic study was performed using a competitive kinetic model that allowed various rate constants to be evaluated for each herbicide. This kinetic model allows one to predict the elimination of these phenyl-urea herbicides in contaminated waters by the oxidation systems used (UV alone and combined UV/H{sub 2}O{sub 2}). The herbicide concentrations predicted by this model agree well with the experimental results that were obtained.

  18. Token ring technology report

    CERN Document Server

    2013-01-01

    Please note this is a Short Discount publication. This report provides an overview of the IBM Token-Ring technology and products built by IBM and compatible vendors. It consists of two sections: 1. A summary of the design trade-offs for the IBM Token-Ring. 2. A summary of the products of the major token-ring compatible vendors broken down by adapters and components, wiring systems, testing, and new chip technology.

  19. Radio-labelled quaternary compounds and their diagnostic use

    International Nuclear Information System (INIS)

    Woo, D.V.

    1984-01-01

    Radio-labelled compounds having a lipophilic cation, which are quaternary ammonium, phosphonium or arsonium halides, in which the halide is a chloride, bromide or iodide, and in which the four quaternary substituents are independently selected from Csub(1-3) alkyl, phenyl and benzyl, at least two substituents being phenyl or benzyl, and one phenyl or benzyl substituent carrying a ring-substituent selected from 123 I, 125 I, 131 I, 77 Br, 82 Br and 18 F. Such compounds can be administered by injection, and a radio-image of the myocardium obtained. (author)

  20. Prototype moving-ring reactor

    International Nuclear Information System (INIS)

    Smith, A.C. Jr.; Ashworth, C.P.; Abreu, K.E.

    1982-01-01

    We have completed a design of the Prototype Moving-Ring Reactor. The fusion fuel is confined in current-carrying rings of magnetically-field-reversed plasma (Compact Toroids). The plasma rings, formed by a coaxial plasma gun, undergo adiabatic magnetic compression to ignition temperature while they are being injected into the reactor's burner section. The cylindrical burner chamber is divided into three burn stations. Separator coils and a slight axial guide field gradient are used to shuttle the ignited toroids rapidly from one burn station to the next, pausing for 1/3 of the total burn time at each station. D-T- 3 He ice pellets refuel the rings at a rate which maintains constant radiated power