(Carbonato-κ(2)O,O')bis-(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')cobalt(III) bromide trihydrate.

Science.gov (United States)

Arun Kumar, Kannan; Meera, Parthsarathi; Amutha Selvi, Madhavan; Dayalan, Arunachalam

2012-04-01

In the title complex, [Co(CO(3))(C(12)H(12)N(2))(2)]Br·3H(2)O, the Co(III) cation has a distorted octa-hedral coordination environment. It is chelated by four N atoms of two different 5,5'-dimethyl-2,2'-bipyridyl (dmbpy) ligands in axial and equatorial positions, and by two O atoms of a carbonate anion completing the equatorial positions. Although the water mol-ecules are disordered and their H atoms were not located, there are typical O⋯O distances between 2.8 and 3.0 Å, indicating O-H⋯O hydrogen bonding. The crystal packing is consolidated by C-H⋯O and C-H⋯Br hydrogen bonds, as well as π-π stacking inter-actions between adjacent pyridine rings of the dmbpy ligands, with centroid-centroid distances of 3.694 (3) and 3.7053 (3) Å.

Ruthenium(II)- bipyridyl with extended π-system: Improved thermo ...

Indian Academy of Sciences (India)

aInorganic and Physical Chemistry Division, Indian Institute of Chemical Technology, Uppal Road, Tarnaka, ... A new extended thermo-stable high molar extinction coefficient bipyridyl ruthenium(II) complex ... cyanines and metal free organic sensitizers have been ..... Iodide-based ionic liquids are more viscous than.

Uptake of some lanthanides on γ-zirconium phosphate-phosphite and its 1,10-phenanthroline and 2,2-bipyridyl intercalated products

International Nuclear Information System (INIS)

Shakshooki, S.K.; El Hanash, H.B.; El-Mehdawi, R.M.; El-Mellah, M.A.; Arafa, E.A.; Bejey, A.M.

1999-01-01

γ-zirconium phosphate-phosphite, γ-Zr x PO 4 x H 2 PO 3 x 2H 2 O, (γ-ZrPP), was prepared and characterized. Direct treatment of γ-zirconium phosphate-phosphite with an ethanol solution of 0.1M 1,10-phenanthrolin and 2,2'-bipyridyl gave the well defined composites, γ-Zr x PO 4 x H 2 PO 3 (phen) 0.15 x H 2 O and γ-Zr x PO 4 x H 2 PO 3 (bipy) 0.18 x 0.6H 2 O respectively. K d values of a mixture of lanthanide ions: La 3+ , Sm 3+ , Eu 3+ and Yb 3+ for the intercalated products and for γ-ZrPP in HNO 3 solution at room temperature and at pH 2 and 4 were determined by a radiotracer technique. 140 La, 152m Eu, 153 Sm and 175 Yb radioisotopes were used for the equilibration experiment using 500 μl (4.0 x 10 -5 mmole) each of the solutions of the tracers as a mixture in 7.5 M HNO 3 solution at the desired pH with 0.1 g of γ-ZrPP and of the intercalated products. The selectivity order was found to be dependent on the nature of the ligand and on the pH. The 2,2'-bipyridyl product possesses, at pH 2 in general, a high K d value, specially for Sm 3+ (9815.9) compared to that of the 1,10-phenanthrolin product (3375.5) and to γ-ZrPP (419.8). This could be attributed to partial deintercalation of the 2,2' -bipyridyl at pH 2 and increasing of ionogenic groups. (author)

Novel cocrystal of N-phthaloyl-β-alanine with 2,2-bipyridyl: Synthesis, computational and free radical scavenging activity studies

Science.gov (United States)

Chahkandi, Mohammad; Bhatti, Moazzam H.; Yunus, Uzma; Rehman, Naima; Nadeem, Muhammad; Tahir, Muhammad Nawaz; Zakria, Muhammad

2018-01-01

In the present work a novel cocrystal adduct of N-phthaloyl-β-alanine and 2,2-bipyridyl as compound 1 with molecular formula C16H13N3O4 was synthesized by slow evaporation process of the ethanoic solution containing these two moieties. In followings, the crystal structure and photophysical properties of 1 was characterized by single X-ray crystal analysis, FTIR, and UV-Vis spectra. The thermal behavior was analyzed by the Thermogravimetric/Differential Thermal Analyzer (TG-DTA). The cocrystal belong to monoclinic crystallographic system with space group P21/n, Z = 4. DPPH radical scavenging activity of the title cocrystal is slightly higher than coformer with lower IC50 value. Finally, using DFT calculations executed at hybrid B3LYP/6-311+G (d, p) level of theory the geometric and electronic structures of the crystalline network of C16H13N3O4 (1), studied. Inter-molecular conventional Osbnd H⋯N as well as the non-conventional Csbnd H⋯O hydrogen bonds (HBs) and Csbnd H···π and Csbnd O···π stacking interactions gathered the monomeric structures of 1 (1-mon) to create the 3D architecture of the network (1-net). The dispersion corrected density functional theory (DFT-D) calculations indicate that Osbnd H⋯N and Csbnd H⋯O HBs, govern the 1-net formation. The calculated UV-Vis spectrum in vacuo has agreement with the experimental one that shows five major bands in the range of 170-271 nm that could assigned to transitions between 2,2-bipyridyl and N-phthaloyl-β-alanine parts of 1 with n → π∗ and π → π* ligand-ligand-charge transfer (LLCT) character. The calculated electronic spectra in solvents (water, acetonitrile, methanol, and n-heptane) comparing with the vacuo one show broad bands with blue shifts.

Pyrrolidine constrained bipyridyl-dansyl click fluoroionophore as selective Al(3+)sensor.

Science.gov (United States)

Maity, Debabrata; Govindaraju, T

2010-07-07

A pyrrolidine constrained bipyridyl-dansyl (ionophore-fluorophore) conjugate with triazole linker was synthesised through click chemistry. The fluoroionophore serves as a selective ratiometric and colorimetric chemosensor for Al(3+) based on internal charge transfer (ICT).

Mixed-ligand Ru(II) complexes with 2,2'-bipyridine and aryldiazo-beta-diketonato auxillary ligands: synthesis, physico-chemical study and antitumour properties.

Science.gov (United States)

Mishra, Lallan; Yadaw, Ajay K; Bhattacharya, Subrato; Dubey, Santosh K

2005-05-01

The complexes of Ru(II)-2,2'-bipyridyl with substituted diazopentane-2,4-diones (L1H-L5H) were synthesized and characterized by elemental analyses, conductance, FAB (fast atom bombardment) mass and spectral (IR, UV/Vis (UV/visible), NMR) studies. Molecular geometry optimization of the complexes was also made. None of the complexes luminesce. However, facilitated oxidation of Ru(II) to Ru(III) was evidenced from their lower reduction potential data. The ligands and their complexes were tested for their antitumour activity against a variety of tumour cell lines. Though activity is found to vary with the type of tumour cell lines used, yet complex 5 with naphtyldiazopentane-2,4-dione as co-ligand was found to be a potential compound as it showed in general significant activity against all cell lines studied.

Tris(2,2'-bipyridyl) ruthenium(II)-bisoprolol-based electrochemiluminescence coupled with capillary zone electrophoresis

Energy Technology Data Exchange (ETDEWEB)

Wang Jingwu [Department of Chemistry, Nanchang University, Nanchang 330031 (China)], E-mail: wangjingwu@ncu.edu.cn; Zhang Xiaojun; Pi Fangfang [Department of Chemistry, Nanchang University, Nanchang 330031 (China); Wang Xiaoxia [Graduate School of Engineering, University of Fukui, Fukui 910-8507 (Japan); Yang Nianjun [Diamond Research Center, National Institute of Advanced Industrial Science and Technology (AIST), Central 2-13, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)], E-mail: nianjun.yang@iaf.fraunhofer.de

2009-03-01

Capillary zone electrophoresis (CZE) coupled with tris(2,2'-bipyridyl) ruthenium(II)-based end-column electrogenerated chemiluminescence (ECL) has been utilized to detect bisoprolol in drugs and tablets after its separation from metoprolol. Tetrahydrofuran was used as an additive in the running buffer to obtain the absolute ECL peak of bisoprolol. Bisoprolol reacts as a co-reactant in tris(2,2'-bipyridyl) ruthenium(II) ECL system. Under the optimized experimental conditions, bisoprolol was separated successfully and efficiently from metoprolol and other co-existed materials in tablets and urine samples. The ECL intensity of tris(2,2'-bipyridyl) ruthenium(II)-bisoprolol-based system is linear with the concentration of bisoprolol from 1.5 {mu}M to 0.3 mM with a detection limit of 0.3 {mu}M. Relative standard derivations of the ECL intensity are 2.58% for the detection of 15 {mu}M bisoprolol. This method is a simple, rapid, selective, and sensitive. It was applied successfully for the monitoring of bisoprolol in market available tablets and human urine samples.

(Carbonato-κ2 O,O′)bis­(5,5′-dimethyl-2,2′-bipyridyl-κ2 N,N′)cobalt(III) bromide trihydrate

Science.gov (United States)

Arun Kumar, Kannan; Meera, Parthsarathi; Amutha Selvi, Madhavan; Dayalan, Arunachalam

2012-01-01

In the title complex, [Co(CO3)(C12H12N2)2]Br·3H2O, the CoIII cation has a distorted octa­hedral coordination environment. It is chelated by four N atoms of two different 5,5′-dimethyl-2,2′-bipyridyl (dmbpy) ligands in axial and equatorial positions, and by two O atoms of a carbonate anion completing the equatorial positions. Although the water mol­ecules are disordered and their H atoms were not located, there are typical O⋯O distances between 2.8 and 3.0 Å, indicating O—H⋯O hydrogen bonding. The crystal packing is consolidated by C—H⋯O and C—H⋯Br hydrogen bonds, as well as π–π stacking inter­actions between adjacent pyridine rings of the dmbpy ligands, with centroid–centroid distances of 3.694 (3) and 3.7053 (3) Å. PMID:22589773

Experimental studies on the nature of bonding of DNA/bipyridyl-(ethylenediamine)platinum(II) and DNA/netropsin complexes in solution and oriented wet-spun films

Science.gov (United States)

Marlowe, R. L.; Szabo, A.; Lee, S. A.; Rupprecht, A.

2002-03-01

The stability of complexes of NaDNA with bipyridyl-(ethylenediamine)platinum(II) (abbreviated [(bipy)Pt(en)]) and with netropsin has been studied using two techniques: (i) ultraviolet melting experiments were done on NaDNA/[(bipy)Pt(en)], showing that the [(bipy)Pt(en)] ligand stabilizes the DNA double helix structure; and (ii) swelling measurements (via optical microscopy) as a function of relative humidity were done on wet-spun oriented films of NaDNA/[(bipy)Pt(en)] and of NaDNA/netropsin. The swelling data shows that an irreversible transition of the films occurs at high relative humidity, first for the NaDNA/netropsin, then for pure NaDNA, and lastly for the NaDNA/[(bipy)Pt(en)]. These results are indicative that the [(bipy)Pt(en)] complex stabilizes the intermolecular bonds which mediate the film swelling characteristics. A model is suggested for the binding of [(bipy)Pt(en)] to DNA to explain why the swelling experiments show this ligand as increasing the intermolecular bond strength between the DNA double helices, while netropsin decreases this degree of stabilization.

Detection of pyrrolizidine alkaloids using flow analysis with both acidic potassium permanganate and tris(2,2'-bipyridyl)ruthenium(II) chemiluminescence

International Nuclear Information System (INIS)

Gorman, Bree A.; Barnett, Neil W.; Bos, Richard

2005-01-01

For the first time, analytically useful chemiluminescence was elicited from the reactions of the pyrrolizidine alkaloids. Heliotrine, retronecine, supinine, monocrotaline and echinatine N-oxide yielded chemiluminescence upon reaction with tris(2,2'-bipyridyl)ruthenium(II) whilst lasiocarpine, its N-oxide and supinine elicited light upon reaction with acidic potassium permanganate. Detection limits for heliotrine were 1.25 x 10 -7 M and 9 x 10 -9 M for tris(2,2'-bipyridyl)ruthenium(III) perchlorate with flow injection analysis (FIA) and the silica-immobilised reagent (4-[4-(dichloromethylsilanyl)-butyl]-4'-methyl-2,2'-bipyridine)bis (2,2'-bipyridyl)ruthenium(II) with sequential injection analysis (SIA), respectively. Lasiocarpine was detectable at 1.4 x 10 -7 M using acidic potassium permanganate with FIA. Additionally, the silica-immobilised reagent was optimised with respect to the oxidant (ammonium ceric nitrate) concentration and the aspiration times which afforded a detection limit for codeine of 5 x 10 -10 M using SIA

Detection of pyrrolizidine alkaloids using flow analysis with both acidic potassium permanganate and tris(2,2'-bipyridyl)ruthenium(II) chemiluminescence

Energy Technology Data Exchange (ETDEWEB)

Gorman, Bree A. [School of Biological and Chemical Sciences, Deakin University, Geelong, Vic. 3217 (Australia); Barnett, Neil W. [School of Biological and Chemical Sciences, Deakin University, Geelong, Vic. 3217 (Australia)]. E-mail: barnie@deakin.edu.au; Bos, Richard [School of Biological and Chemical Sciences, Deakin University, Geelong, Vic. 3217 (Australia)

2005-06-13

For the first time, analytically useful chemiluminescence was elicited from the reactions of the pyrrolizidine alkaloids. Heliotrine, retronecine, supinine, monocrotaline and echinatine N-oxide yielded chemiluminescence upon reaction with tris(2,2'-bipyridyl)ruthenium(II) whilst lasiocarpine, its N-oxide and supinine elicited light upon reaction with acidic potassium permanganate. Detection limits for heliotrine were 1.25 x 10{sup -7} M and 9 x 10{sup -9} M for tris(2,2'-bipyridyl)ruthenium(III) perchlorate with flow injection analysis (FIA) and the silica-immobilised reagent (4-[4-(dichloromethylsilanyl)-butyl]-4'-methyl-2,2'-bipyridine)bis (2,2'-bipyridyl)ruthenium(II) with sequential injection analysis (SIA), respectively. Lasiocarpine was detectable at 1.4 x 10{sup -7} M using acidic potassium permanganate with FIA. Additionally, the silica-immobilised reagent was optimised with respect to the oxidant (ammonium ceric nitrate) concentration and the aspiration times which afforded a detection limit for codeine of 5 x 10{sup -10} M using SIA.

Structural and Electrochemical Consequences of [Cp*] Ligand Protonation.

Science.gov (United States)

Peng, Yun; Ramos-Garcés, Mario V; Lionetti, Davide; Blakemore, James D

2017-09-05

There are few examples of the isolation of analogous metal complexes bearing [η 5 -Cp*] and [η 4 -Cp*H] (Cp* = pentamethylcyclopentadienyl) complexes within the same metal/ligand framework, despite the relevance of such structures to catalytic applications. Recently, protonation of Cp*Rh(bpy) (bpy = 2,2'-bipyridyl) has been shown to yield a complex bearing the uncommon [η 4 -Cp*H] ligand, rather than generating a [Rh III -H] complex. We now report the purification and isolation of this protonated species, as well as characterization of analogous complexes of 1,10-phenanthroline (phen). Specifically, reaction of Cp*Rh(bpy) or Cp*Rh(phen) with 1 equiv of Et 3 NH + Br - affords rhodium compounds bearing endo-η 4 -pentamethylcyclopentadiene (η 4 -Cp*H) as a ligand. NMR spectroscopy and single-crystal X-ray diffraction studies confirm protonation of the Cp* ligand, rather than formation of metal hydride complexes. Analysis of new structural data and electronic spectra suggests that phen is significantly reduced in Cp*Rh(phen), similar to the case of Cp*Rh(bpy). Backbonding interactions with olefinic motifs are activated by formation of [η 4 -Cp*H]; protonation of [Cp*] stabilizes the low-valent metal center and results in loss of reduced character on the diimine ligands. In accord with these changes in electronic structure, electrochemical studies reveal a distinct manifold of redox processes that are accessible in the [Cp*H] complexes in comparison with their [Cp*] analogues; these processes suggest new applications in catalysis for the complexes bearing endo-η 4 -Cp*H.

Flow injection chemiluminescent determination of N-nitrosodimethylamine using photogenerated tris(2,2'-bipyridyl) ruthenium (III)

International Nuclear Information System (INIS)

Perez-Ruiz, Tomas; Martinez-Lozano, Carmen; Tomas, Virginia; Martin, Jesus

2005-01-01

A flow injection configuration was developed and evaluated for the chemiluminescent determination of N-nitrosodimethylamine. The method is based on the on-line cleavage of the N-NO bond of the nitrosamine by irradiation with ultraviolet light. The dimethylamine generated was subsequently reacted with tris(2,2'-bipyridyl) ruthenium (III), which was generated through the on-line photo-oxidation of tris(2,2'-bipyridyl) ruthenium (II) with peroxydisulfate. After selecting the best operating parameters, the emitted light showed a linear relationship with the concentration of N-nitrosodimethylamine between 1.5 and 148 ng ml -1 , with a detection limit of 0.29 ng ml -1 . The repeatability was 1.6% expressed as relative standard deviation (n = 10) and the reproducibility, studied on five consecutive days, was 3.2%. The sample throughput was 50 injections per hour. The method was applied to studying the recoveries of N-nitrosodimethylamine in water and different cured meat products

Synthesis and structure of bivalent ytterbocenes and their coordination chemistry with pi-acceptor ligands

Energy Technology Data Exchange (ETDEWEB)

Schultz, Madeleine [Univ. of California, Berkeley, CA (United States)

2000-05-01

The bivalent lanthanide metallocenes [1,3-(Me₃C)₂C₅H₃]₂Yb and (Me₄C₅H)₂Yb have been synthesized and their structures have been determined by X-ray crystallography. Comparison with the known structures of (Me₅C₅)₂Yb and [1,3 -(Me₃Si)₂C₅H₃]₂Yb leads to an understanding of the role of intermolecular contacts in stabilizing these coordinatively unsaturated molecules. The optical spectra of the base-free ytterbocenes and their Lewis-base adducts have been measured; the position of the HOMO - LUMO transition can be correlated with the degree of bending of the complexes in solution according to a molecular orbital model. Electron - electron repulsion, resulting from additional σ-donor ligands, also affects the HOMO - LUMO transition by increasing the energy of the filled f-orbitals. The base-free metallocene (Me₅C₅)₂Yb coordinates carbon monoxide, resulting in a decrease in V_co relative to that of fi-ee carbon monoxide. This behavior is reminiscent of d-transition metallocene chemistry. Other base-free ytterbocenes also coordinate carbon monoxide and the degree of back-donation is related to the substituents on the cyclopentadienide rings. Isocyanides are coordinated in a 1:2 ratio by the ytterbocenes, giving complexes having v_cN higher than those of the free isocyanides. An electrostatic bonding model has been used to explain the changes in CN stretching frequencies. The optical spectra of the carbonyl and isocyanide complexes are consistent with the molecular orbital model of the variation in the HOMO - LUMO gap upon bending, and the increase in electron - electron repulsion due to the additional ligands. The complex (Me₅C₅)₂Yb(bipy) exhibits optical, infrared and NMIZ spectroscopy and an X-ray crystal

Catalytic behaviors of Co{sup II} and Mn{sup II} compounds bearing α-Diimine ligands for oxidative polymerization or drying oils

Energy Technology Data Exchange (ETDEWEB)

Lima, Gilvan E.S.; Nunes, Everton V.; Dantas, Roberta C.; Meneghetti, Mario R.; Meneghetti, Simoni M.P., E-mail: simoni.plentz@gmail.com [Universidade Federal de Alagoas (UFAL), Maceió, AL (Brazil). Grupo de Catálise e Reatividade Química; Simone, Carlos A. de [Universidade de Sao Paulo (USP), São Carlos, USP, SP (Brazil). Instituto de Física

2018-05-01

The oxidative polymerization of linseed oil was investigated comparing the classical catalysts cobalt(II) 2-ethylhexanoate and manganese(II) 2-ethylhexanoate and their derivatives modified by the presence of chelating nitrogen ligands, i.e., 2,2’-bipyridyl, 2-(acetyl-2,6-diisopropylphenylimine)- pyridine and [N-(2,6-diisopropylphenyl)imine]acenaphthoquinone. The suitable stoichiometries between the two precursor complexes with the three ligands were determined by UV-visible spectroscopy. All complexes were characterized by infrared spectroscopy, and one complex was characterized also by X-ray diffraction. The apparent kinetic constants of oxidative polymerization of linseed oil was determined, for each catalytic system, via the periodic measurements of the oil viscosity during the oxidation reaction. The results indicated that the modifications of the classical two complexes with the chelating nitrogen ligands improved the catalytic efficiency at least to the manganese complex. (author)

Femtosecond double proton transfer dynamics in [2,2'-bipyridyl]-3,3'-diol in sol-gel glasses

NARCIS (Netherlands)

Prosposito, P.; Marks, D.R.A.; Zhang, H.; Glasbeek, M.

1998-01-01

Abstract: Intramolecular excited state double proton-transfer dynamics has been studied for [2,2'-bipyridyl]-3,3'-diol (BP(OH)2) in sol-gel glass. By means of the femtosecond fluorescence up-conversion technique, the spectral dependence of the fluorescence transients obtained for BP(OH)2 in a few

Investigation of hyperfine interactions in hafnium compounds with F1-, OH1-, and EDTA ligands by perturbed γ-γ angular correlation

International Nuclear Information System (INIS)

Amaral, Antonio A.; Silva, Andreia dos S.; Lapolli, Andre L.; Carbonari, Artur W.; Saxena, Rajendra N.

2011-01-01

In this study the hyperfine parameters, including the dynamical nature, Perturbed Angular Correlation (PAC) spectroscopy was used to measure the hyperfine parameters in molecules of ligand compounds in solutions. The measurements were carried out at 295 K and 77 K using 181 Hf → 181 Ta, as probe nuclei. Samples were prepared by adding a small volume of radioactive solution containing the probe nuclei in aqueous solution, buffer solution and ethylenediaminetetraacetic acid (EDTA) used as a ligand with pH between 4 and 5 which correspond to the pH of the saturated EDTA solution and in buffer solution with pH between 9 and 10. The results made possible to understand the impact of each method for PAC measurements. Finally a comparative analysis for the several methods of inserting of the probe nuclei in the sample was made, considering chemical and nuclear aspects. The lack of measurements in this kind of samples justifies the importance of the obtained results. (author)

A bioinspired copper 2,2-bipyridyl complex immobilized MWCNT modified electrode prepared by a new strategy for elegant electrocatalytic reduction and sensing of hydrogen peroxide

International Nuclear Information System (INIS)

Mayuri, Pinapeddavari; Saravanan, Natarajan; Senthil Kumar, Annamalai

2017-01-01

Owing to facile electron-transfer reaction, metal complex based molecular architecture has attracted much interest in electrochemistry, especially for bioinspired electrocatalytic and electrochemical sensor applications. Indeed, preparation of stable surface-confined molecular system is a challenging task. In general, derivatization methodology, in which, a specific functional groups such as thiol, carboxylic acid, pyrene and amino bearing inorganic complexes synthesized discreetly by chemical approach have been attached suitably on electrode surface via any one of the following techniques; self-assembly, covalent immobilization, electrostatic interaction, ionic exchange and encapsulation. Herein, we report a copper-bipyridyl complex immobilized multiwalled carbon nanotube (MWCNT)-Nafion (Nf) modified glassy carbon electrode (GCE/Nf-MWCNT@bpy-Cu"2"+) prepared by a new strategy in which sequential modification of bipyridyl (bpy) ligand on MWCNT via π-π interaction followed by in-situ complexation with copper ion for efficient electrochemical reduction of H_2O_2. The copper species chemically modified electrode showed highly stable and well-defined surface-confined Cu"2"+"/"1"+ redox peak response, without any Cu"1"+"/"0 redox transition, at an equilibrium potential, E_1_/_2 = −135 mV vs Ag/AgCl in a pH 7 phosphate buffer solution. Detailed physico-chemical characterization by SEM, FT-IR, Raman and ESI-MS and electrochemical characterization reveals that [Cu(bpy)_2(H_2O)_2]"+ (molecular weight 413.4) like species was immobilized as a major species on the modified electrode. A bioinspired electro-catalytic reduction of H_2O_2 was studied using cyclic voltammetric and rotating disc electrode techniques. In further, electrochemical sensing of H_2O_2 by amperometric i-t and flow injection analysis methods with a detection limit values 4.5 and 0.49 μM respectively were demonstrated.

Bis(2,2'-bipyridyl-κN,N')(carbonato-κO,O')cobalt(III) bromide trihydrate.

Science.gov (United States)

Ma, Peng-Tao; Wang, Yu-Xia; Zhang, Guo-Qian; Li, Ming-Xue

2007-12-06

The title complex, [Co(CO(3))(C(10)H(8)N(2))(2)]Br·3H(2)O, is isostructural with the chloride analogue. The six-coordinated octahedral [Co(2,2'-bipy)(2)CO(3)](+) cation (2,2'-bipy is 2,2'-bipyrid-yl), bromide ion and water mol-ecules are linked together via O-H⋯Br and O-H⋯O hydrogen bonds, generating a one-dimensional chain.

Investigation of hyperfine interactions in hafnium compounds with F{sup 1-}, OH{sup 1-}, and EDTA ligands by perturbed {gamma}-{gamma} angular correlation

Energy Technology Data Exchange (ETDEWEB)

Amaral, Antonio A.; Silva, Andreia dos S.; Lapolli, Andre L.; Carbonari, Artur W.; Saxena, Rajendra N., E-mail: alapolli@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2011-07-01

In this study the hyperfine parameters, including the dynamical nature, Perturbed Angular Correlation (PAC) spectroscopy was used to measure the hyperfine parameters in molecules of ligand compounds in solutions. The measurements were carried out at 295 K and 77 K using {sup 181}Hf {yields}{sup 181}Ta, as probe nuclei. Samples were prepared by adding a small volume of radioactive solution containing the probe nuclei in aqueous solution, buffer solution and ethylenediaminetetraacetic acid (EDTA) used as a ligand with pH between 4 and 5 which correspond to the pH of the saturated EDTA solution and in buffer solution with pH between 9 and 10. The results made possible to understand the impact of each method for PAC measurements. Finally a comparative analysis for the several methods of inserting of the probe nuclei in the sample was made, considering chemical and nuclear aspects. The lack of measurements in this kind of samples justifies the importance of the obtained results. (author)

Highly efficient quenching of tris(2,2'-bipyridyl)ruthenium(II) electrochemiluminescence by ozone using formaldehyde, methylglyoxal, and glyoxalate as co-reactants and its application to ozone sensing.

Science.gov (United States)

Gao, Ying; Liu, Xiaoyun; Qi, Wenjing; Gao, Wenyue; Li, Yunhui; Xu, Guobao

2015-06-21

Most electrochemiluminescence (ECL) systems require high concentrations of quencher to totally quench ECL. In this study, we found that ozone can quench tris(2,2'-bipyridyl)ruthenium(II) ECL using formaldehyde, methylglyoxal, or glyoxalate as co-reactants at a glassy carbon electrode with remarkable efficiencies even when the concentration of ozone is merely 0.25% of that of the co-reactant. The strongest quenching is observed with the tris(2,2'-bipyridyl)ruthenium(II)/formaldehyde ECL system. The tris(2,2'-bipyridyl)ruthenium(II)/formaldehyde ECL intensities decrease linearly with the ozone concentration over the range of 0.025-25 μM (r = 0.9947) with a limit of detection of 8 nM. The method is more sensitive and faster than most methods. It shows high selectivity in the presence of other ROS or oxidants and some metal ions, such as H2O2, ClO(-), Mg(2+), Ni(2+), etc. The method exhibits high recoveries for the detection of ozone in a ventilated photocopy room.

DNA binding and biological activity of mixed ligand complexes of Cu(II, Ni(II and Co(II with quinolones and N donor ligand

Directory of Open Access Journals (Sweden)

S.M M Akram

2015-10-01

Full Text Available  AbstractMixed ligand complexes of  Cu(II, Ni(II and Co(II have been synthesized by using levofloxacin and bipyridyl and characterized using spectral and analytical techniques. The binding behavior of the Ni(II and Cu(II complexes with herring sperm DNA(Hs-DNA were determined using electronic absorption titration, viscometric measurements and cyclic voltammetry measurements. The binding constant calculated  for Cu(II and Ni(II complexes are 2.0 x 104 and 4.0 x 104 M-1 respectively. Detailed analysis reveals that these metal complexes interact with DNA through intercalative binding mode. The nuclease activity of  Cu(II and Ni(II complexes with ct-DNA was carried out using agarose gel electrophoresis technique. The antioxidant activities for the synthesized complexes have been tested and the antibacterial activity for Ni(II complex was also checked.Key words: Intercalation, hypochromism, red shift and  peak potential.

Antioxidant activities of nano-bubble hydrogen-dissolved water assessed by ESR and 2,2′-bipyridyl methods

International Nuclear Information System (INIS)

Kato, Shinya; Matsuoka, Daigo; Miwa, Nobuhiko

2015-01-01

We prepared nano-bubble hydrogen-dissolved water (nano-H water) which contained hydrogen nano-bubbles of < 717-nm diameter for 54% of total bubbles. In the DMPO-spin trap electron spin resonance (ESR) method, the DMPO-OH:MnO ratio, being attributed to amounts of hydroxyl radicals (·OH), was 2.78 for pure water (dissolved hydrogen [DH] ≤ 0.01 ppm, oxidation-reduction potential [ORP] = + 324 mV), 2.73 for tap water (0.01 ppm, + 286 mV), 2.93 for commercially available hydrogen water (0.075 ppm, + 49 mV), and 2.66 for manufactured hydrogen water (0.788 ppm, − 614 mV), whereas the nano-H water (0.678 ppm, − 644 mV) exhibited 2.05, showing the superiority of nano-H water to other types of hydrogen water in terms of ·OH-scavenging activity. Then, the reduction activity of nano-H water was assessed spectrophotometrically by the 2,2′-bipyridyl method. Differential absorbance at 530 nm was in the order: 0.018 for pure water, 0.055 for tap water, 0.079 for nano-H water, 0.085 for commercially available hydrogen water, and 0.090 for manufactured hydrogen water, indicating a prominent reduction activity of hydrogen water and nano-H water against oxidation in ascorbate-coupled ferric ion–bipyridyl reaction. Thus, nano-H water has an improved antioxidant activity as compared to hydrogen water of similar DH-level, indicating the more marked importance of nano-bubbles rather than the concentration of hydrogen in terms of ·OH-scavenging. - Highlights: • We assessed the antioxidant activity of nano-bubble hydrogen-dissolved water (nano-H water). • Nano-H water exhibited superior ·OH-scavenging activity in DMPO-spin trap ESR. • A reduction ability of nano-H water was shown in 2,2′-bipyridyl reaction. • Nano-H water has an improved antioxidant activity as compared to hydrogen water of similar DH-level. • Results indicated the importance of nano-bubbles rather than the concentration of hydrogen

Synthesis, Photophysical and Electrochemical Properties of a Mixed Bipyridyl-Phenanthrolyl Ligand Ru(II Heteroleptic Complex Having trans-2-Methyl-2-butenoic Acid Functionalities

Directory of Open Access Journals (Sweden)

Adewale O. Adeloye

2011-09-01

Full Text Available In this work, two ligands: 4-(trans-2-Methyl-2-butenoic acid-2,2'-bipyridine (L1 and 5-(trans-2-methyl-2-butenoic acid-1,10-phenanthroline (L2, with the corresponding mixed-ligand heteroleptic Ru(II complex were synthesized and characterized by FT-IR, 1H-, 13C-NMR spectroscopy and elemental analysis. The influence of the mixed functionalized polypyridyl ruthenium(II complex on the photophysical and electrochemical properties were investigated and compared to individual single-ligand homoleptic complexes. Interestingly, the mixed-ligand complex formulated as [RuL1L2(NCS2] exhibits broad and intense metal-to-ligand charge transfer (MLCT absorption with a high molar extinction coefficient (λmax = 514 nm, ε = 69,700 M−1 cm−1, better than those of individual single-ligand complexes, [Ru(L12(NCS2] and [Ru(L22(NCS2], and a strong photoluminescence intensity ratio in the red region at λem = 686 nm. The electrochemical properties of the complex indicated that the redox processes are ligand-based.

A sensitive method for assay of beryllium with chromazurol S and 2,2'-bipyridyl

International Nuclear Information System (INIS)

Buhl, F.; Kwapulinska, G.

1980-01-01

A spectrophotometric method of assay for microgram amounts of beryllium by means of chromazurol S in presence of 2,2'-bipyridyl was described. The latter appreciably enhances the sensitivity of the method; epsilonsub(lambda=610nm) is 5.4X10 4 . The complex compound obeys the Lambert-Beer law in the concentration range 0.002 to 0.2 ppm Be. The maximum colour intensity is immediately attained at pH 5. The molar ratio Be: CHAS: bip is 1 : 2 : 1. The suggested method is sensitive and has satisfactory selectivity when EDTA is applied as masking agent. (author)

Towards PSII analogs driven by ruthenium photophysics

International Nuclear Information System (INIS)

Olsson, Jerry

2002-01-01

A number of model complexes have been prepared in an attempt to develop models for photosystem II (PSII) in green plants. As replacement for the chlorophyll photosensitizer, we have used Ru(ll) tris-2,2-bipyridyl or Ru(ll) bis-2,2';6',2 - terpyridyl complexes linked to a pendant 2,2'-bipyridyl or 2,2';6',2''-terpyridyl moieties via spacers of varying lengths. Manganese (ll) has been covalently linked to the pendant 2,2'-bipyridyl /2,2';6',2''-terpyridyl moieties. The use of different ruthenium centres and spacers has made it possible to make assumptions about the way and how easily manganese is coordinated through self-assembly to the pendant 2,2'-bipyridyl or 2,2';6',2''-terpyridyl groups. Several polynuclear complexes containing a photoactive centre (Ru(ll) tris-2,2'-bipyridine or Ru(ll) bis-2,2';6',2''-terpyridine) or other metal ions (Co 2+ , Fe 2+ , Mn 2= ) have been prepared and characterised. The main work has been focused on organic synthesis and characterisation of polypyridine ligands and coordinated to different metal centres. The complexes have been investigated electrochemically and photophysically. Several new phenol-based ligands have been prepared by organic synthetic methods and characterised by various different methods. (author)

Nafion/2,2'-bipyridyl-modified bismuth film electrode for anodic stripping voltammetry

International Nuclear Information System (INIS)

Torma, Ferenc; Kadar, Mihaly; Toth, Klara; Tatar, Eniko

2008-01-01

This paper describes the fabrication, characterisation and the application of a Nafion/2,2'-bipyridyl/bismuth composite film-coated glassy carbon electrode (NC(Bpy)BiFE) for the anodic stripping voltammetric determination of trace metal ions (Zn 2+ , Cd 2+ and Pb 2+ ). The NC(Bpy)BiFE electrode is prepared by first applying a 2.5 mm 3 drop of a coating solution containing 0.5 wt% Nafion and 0.1% (w/v) 2,2'-bipyridil (Bpy) onto the surface of a glassy carbon electrode, while the Bi film was plated in situ simultaneously with the target metal ions at -1.4 V. The main advantage of the polymer coated bismuth film electrode is that the sensitivity of the stripping responses is increased considerably due to the incorporation of the neutral chelating agent of 2,2'-bipyridyl (Bpy) in the Nafion film, while the Nafion coating improved the mechanical stability of the bismuth film and its resistance to the interference of surfactants. The key experimental parameters relevant to both the electrode fabrication and the voltammetric measurement were optimized on the basis of the stripping signals. With a 2 min deposition time in the presence of oxygen, linear calibration curves were obtained in a wide concentration range (about 2-0.001 μM) with detection limits of 8.6 nM (0.56 μg dm -3 ) for Zn 2+ , 1.1 nM (0.12 μg dm -3 ) for Cd 2+ and 0.37 nM (0.077 μg dm -3 ) for Pb 2+ . For nine successive preconcentration/determination/electrode renewal experiments the standard deviations were between 3 and 5% at 1.2 μM for zinc and 0.3-0.3 μM concentration level for lead and cadmium, respectively, and the method exhibited excellent selectivity in the presence of the excess of several potential interfering metal ions. The analytical utility of the stripping voltammetric method elaborated was tested in the assay of heavy metals in some real samples and the method was validated by ICP-MS technique

trans-(Cl)-[Ru(5,5'-diamide-2,2'-bipyridine)(CO)2 Cl2 ]: Synthesis, Structure, and Photocatalytic CO2 Reduction Activity.

Science.gov (United States)

Kuramochi, Yusuke; Fukaya, Kyohei; Yoshida, Makoto; Ishida, Hitoshi

2015-07-06

A series of trans-(Cl)-[Ru(L)(CO)2 Cl2 ]-type complexes, in which the ligands L are 2,2'-bipyridyl derivatives with amide groups at the 5,5'-positions, are synthesized. The C-connected amide group bound to the bipyridyl ligand through the carbonyl carbon atom is twisted with respect to the bipyridyl plane, whereas the N-connected amide group is in the plane. DFT calculations reveal that the twisted structure of the C-connected amide group raises the level of the LUMO, which results in a negative shift of the first reduction potential (Ep ) of the ruthenium complex. The catalytic abilities for CO2 reduction are evaluated in photoreactions (λ>400 nm) with the ruthenium complexes (the catalyst), [Ru(bpy)3 ](2+) (bpy=2,2'-bipyridine; the photosensitizer), and 1-benzyl-1,4-dihydronicotinamide (the electron donor) in CO2 -saturated N,N-dimethylacetamide/water. The logarithm of the turnover frequency increases by shifting Ep a negative value until it reaches the reduction potential of the photosensitizer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Application of the perturbed angular correlation in the investigation of hyperfine interactions in compounds of hafnium, indium and cadmium with F1-, OH1- and EDTA ligands

International Nuclear Information System (INIS)

Amaral, Antonio Acleto

2011-01-01

In this study the hyperfine parameters, including the dynamical nature, Perturbed Angular Correlation (PAC) spectroscopy was used to measure the hyperfine parameters in molecules of ligand compounds in solutions. The measurements were carried out at 295 K and 77 K using 111 In → 111 Cd, 181 Hf → 181 Ta and 111m Cd → 111 Cd, as probe nuclei. Samples were prepared by adding a small volume of radioactive solution containing the probe nuclei in aqueous solution, buffer solution and ethylenediaminetetraacetic acid (EDTA) used as a ligand with pH 4.3 which correspond to the pH of the saturated EDTA solution and in buffer solution with pH between 9 and 10. The results made possible to understand the impact of each method for PAC measurements. Finally a comparative analysis for the several methods of inserting of the probe nuclei in the sample was made, considering chemical and nuclear aspects. The lack of measurements in this kind of samples justifies the importance of the obtained results. (author)

Symmetric bi-pyridyl banana-shaped molecule and its intermolecular hydrogen bonding liquid-crystalline complexes

Science.gov (United States)

Sui, Dan; Hou, Qiufei; Chai, Jia; Ye, Ling; Zhao, Liyan; Li, Min; Jiang, Shimei

2008-11-01

A new symmetric bi-pyridyl banana-shaped molecule 1,3-phenylene diisonicotinate (PDI) was designed and synthesized. Its molecular structure was confirmed by FTIR, Elemental analysis and 1H NMR. X-ray crystallographic study reveals that there is an angle of approximate 118° among the centroids of the three rings (pyridyl-phenyl-pyridyl) in each PDI molecule indicating a desired banana shape. In addition, a series of liquid crystal complexes nBA:PDI:nBA induced by intermolecular hydrogen bonding between PDI (proton acceptor) and 4-alkoxybenzoic acids (nBA, proton donor) were synthesized and characterized. The mesomorphism properties and optical textures of the complex of nBA:PDI:nBA were investigated by differential scanning calorimetry, polarizing optical microscope and X-ray diffraction.

Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue

Energy Technology Data Exchange (ETDEWEB)

Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang, E-mail: hanzg116@126.com

2017-02-15

Two polytungstovandates [Ag(mbpy){sub 2}][Ag{sub 2}(mbpy){sub 3}][VW{sub 5}O{sub 19}]·H{sub 2}O (1) and [Ag(mbpy)]{sub 2}[Ag(mbpy){sub 2}]{sub 4}[VW{sub 12}O{sub 40}] (2) (mbpy =4,4′-dimethyl-2,2′-bipyridyl), had been hydrothermally synthesized and characterized by IR, TG, and single-crystal X-ray diffraction techniques. Single-crystal structural analysis revealed that the polyanionic clusters in two compounds are different: Lindqvist-type in 1 and α-Keggin-type in 2, respectively, while the cationic moieties in them are Ag-mbpy units. The experiments showed that this kind of hybrid crystal materials possesses more efficiently catalytic performance for the degradation of organic dye methylene blue (MB) in water solution under the UV irradiation. The significant degradation rate of MB can reach 89.9%, 94.9% by crystals 1 and 2 (40 mg) in the course of about 5 min. - Graphical abstract: Two Ag-ligand modified polytungstovandates had been synthesized and characterized, which were active in the catalytic degradation of organic dye methylene blue under the UV irradiation. - Highlights: • Two Ag-ligand modified tungstovandates were synthesized and characterized. • Weak interactions play important roles in constructing crystal frameworks. • Compounds are active to catalyze the degradation of methylene blue.

Substituted 2,2'-bipyridines by nickel-catalysis: 4,4'-di-tert-butyl-2,2'-bipyridine.

Science.gov (United States)

Buonomo, Joseph A; Everson, Daniel A; Weix, Daniel J

2013-11-01

A simple, ligand-free synthesis of the important bipyridyl ligand 4,4'-di- tert -butyl-2,2'-bipyridine is presented. 5,5'-bis(trifluoromethyl)-2,2'-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

Substituted 2,2′-bipyridines by nickel-catalysis: 4,4′-di-tert-butyl-2,2′-bipyridine

OpenAIRE

Buonomo, Joseph A.; Everson, Daniel A.; Weix, Daniel J.

2013-01-01

A simple, ligand-free synthesis of the important bipyridyl ligand 4,4′-di-tert-butyl-2,2′-bipyridine is presented. 5,5′-bis(trifluoromethyl)-2,2′-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

Modeling of Platinum-Aryl Interaction with Amyloid-β Peptide.

Science.gov (United States)

Turner, Matthew; Platts, James A; Deeth, Robert J

2016-03-08

Ligand field molecular mechanics (LFMM), density functional theory (DFT), and semiempirical PM7 methods are used to study the binding of two Pt(II)-L systems to an N-terminal fragment of the amyloid-β peptide, where L = 2,2-bipyridyl or 1,10-phenanthroline. Molecular dynamics simulations are used to explore the conformational freedom of the peptide using LFMM combined with AMBER molecular mechanics parameters. We establish a modeling protocol, allowing for identification and analysis of favorable platinum-binding modes and peptide conformations. Preferred binding modes are identified for each ligand investigated; metal coordination occurs via Nε in His residues for both ligands--His6ε-His13ε and His6ε-His14ε for the bipyridyl and phenanthroline ligands, respectively. The observed change in binding mode for the different ligands suggests that the binding mode of these platinum-based structures can be controlled by the choice of ligand. In the bipy systems, Boltzmann population at 310 K is dominated by a single conformer, while in the phenanthroline case, three conformations make significant contributions to the ensemble. The relative stability of these conformations is due to the inherent stability of binding platinum via Nε in addition to subtle H-bonding effects.

Substituted 2,2′-bipyridines by nickel-catalysis: 4,4′-di-tert-butyl-2,2′-bipyridine

Science.gov (United States)

Buonomo, Joseph A.; Everson, Daniel A.; Weix, Daniel J.

2014-01-01

A simple, ligand-free synthesis of the important bipyridyl ligand 4,4′-di-tert-butyl-2,2′-bipyridine is presented. 5,5′-bis(trifluoromethyl)-2,2′-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant. PMID:25221358

Synthesis and characterisation of some lanthanon-tris (chlorosulphate) complexes with nitrogen and oxygen donors

International Nuclear Information System (INIS)

Zaidi, S.A.A.; Zaidi, S.R.A.; Zahoor, M.A.; Khan, T.A.

1992-01-01

Some eight-coordinated complexes of Eu II , Tm II and Yb II chlorosulphates with pyridine, pyridine-N-oxide, acridine and bipyridine have been prepared and characterised by elemental analyses, conductance magnetic and infrared spectral data. Spectroscopic investigation has shown that SO 3 Cl - groups and bipyridyl ligand are all coordinated to the metal ions in a bidentate manner whereas the other ligand groups are coordinated monodentately. (author). 5 refs., 1 tab

(2,2′-Bipyridine-κ2N,N′iodido(piperidine-1-carbodithioato-κ2S,S′copper(II

Directory of Open Access Journals (Sweden)

Le-Qing Fan

2009-01-01

Full Text Available In the title compound, [Cu(C6H10NS2I(C10H8N2], the CuII ion is coordinated by one iodide ion, two N atoms of the bipyridine ligand and two S atoms from the piperidinecarbodithioate ligand in a distorted square-pyramidal environment. π–π stacking interactions, with centroid–centroid distances of 3.643 (4 Å, between pyridyl rings of the bipyridyl ligands of neighbouring molecules lead to chains propagating parallel to the a axis.

Thin-layer chromatography of ternary complexes of group-IIIA metals with 2-thenoyltrifluoroacetone and 2,2'-bipyridyl on cellulose layer

Energy Technology Data Exchange (ETDEWEB)

Chao, H E; Saitoh, K; Suzuki, N [Tohoku Univ., Sendai (Japan). Faculty of Science

1980-11-11

Normal phase thin-layer chromatographic behaviour of several ternary complexes of group-IIIA metals with 2-thenoyltrifluoroacetone (TTA) and 2,2'bipyridyl (bpy) has been investigated on cellulose layer. The ternary complexes of lanthanide metals show higher mutual separability than the complexes with TTA alone. Mutual separation of TTA complexes with La(III), Ce(III), Eu(III) or Y(III), Sc(III), Th(IV), and U(VI) has been successfully achieved by two-dimensional TLC, primarily with carbon tetrachloride-benzene (75:25) containing 0.02M TTA, and secondary with carbon tetrachloride-hexane (35:65) containing both 0.02M TTA and 0.02M bpy.

Electrochemical ion transfer mediated by a lipophilic Os(ii)/Os(iii) dinonyl bipyridyl probe incorporated in thin film membranes.

Science.gov (United States)

Jansod, Sutida; Wang, Lu; Cuartero, Maria; Bakker, Eric

2017-09-28

A new lipophilic dinonyl bipyridyl Os(ii)/Os(iii) complex successfully mediates ion transfer processes across voltammetric thin membranes. An added lipophilic cation-exchanger may impose voltammetric anion or cation transfer waves of Gaussian shape that are reversible and repeatable. The peak potential is found to shift with the ion concentration in agreement with the Nernst equation. The addition of tridodecylmethylammonium nitrate to the polymeric film dramatically reduces the peak separation from 240 mV to 65 mV, and the peak width to a near-theoretical value of 85 mV, which agrees with a surface confined process. It is suggested that the cationic additive serves as a phase transfer catalyst.

Novel cleavage and oligomerization reactions of nickel (o) complexes. Application to homogeneous deoxygenation and desulfurization

International Nuclear Information System (INIS)

Eisch, J.J.; Im, K.R.

1979-01-01

The ease of interaction of Ni(0) complexes with organic substrates has been shown to depend upon both the ligands on nickel and the solvent. The presence of α,α'-bipyridyl with the Ni(0) complex and the alkyne led to the isolation of a nickelacyclopropene, an observation in accord with the recently proposed metallocyclic pathway for the Ni(0)-catalyzed trimerization of alkynes. Allylic and benzylic ethers and epoxides have been observed to undergo oxidative insertion of Ni(0) into their C-O bonds with solvent (TMEDA > THF (tetrahydrofuran) > Et 2 O > C 6 H 6 ) and ligand (Et 3 P (tripthyl phosphine) > Ph 3 P (triphenyl phosphine); α,α'-bipy > COD) effects consistent with an electron-transfer attack by Ni(0). With such sulfur heterocycles as dibenzothiophene, phenoxathiin, phenothiazine, and thianthrene, a 1:1 admixture of (COD) 2 Ni with α,α'-bipyridyl gave as the principal product the desulfurized, ring-contracted cyclic product

Bulletin of the Chemical Society of Ethiopia - Vol 11, No 2 (1997)

African Journals Online (AJOL)

Intramolecular hydophobic and stacking interactions in mixed ligand complexes formed by copper (II), 2,2'-bipyridyl or 1,10-phenanthroline, and n-butyl diphosphate (BuDP3-) or phenyl diphosphate (PhDP3-), EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT.

Synthesis, spectroscopic, electrochemical and luminescence studies ...

Indian Academy of Sciences (India)

Unknown

Ruthenium (II) 2,2′-bipyridyl and 1,10-phenanthroline complexes with 4- ... with hydrazine to form its N2 complex which is of great interest in the chemistry of N2 ... part of this ligand could be converted into N2 also enthused us to take up the ...

Professional AngularJS

CERN Document Server

Karpov, Valeri

2015-01-01

A comprehensive guide to AngularJS, Google's open-source client-side framework for app development. Most of the existing guides to AngularJS struggle to provide simple and understandable explanations for more advanced concepts. As a result, some developers who understand all the basic concepts of AngularJS struggle when it comes to building more complex real-world applications. Professional AngularJS provides a thorough understanding of AngularJS, covering everything from basic concepts, such as directives and data binding, to more advanced concepts like transclusion, build systems, and auto

Application of the perturbed angular correlation in the investigation of hyperfine interactions in compounds of hafnium, indium and cadmium with F{sup 1-}, OH{sup 1-} and EDTA ligands; Aplicacao da espectroscopia de correlacao angular perturbada na investigacao de interacoes hiperfinas em compostos de hafnio, indio e cadmio com os ligantes F{sup 1-}, OH{sup 1-} e EDTA

Energy Technology Data Exchange (ETDEWEB)

Amaral, Antonio Acleto

2011-07-01

In this study the hyperfine parameters, including the dynamical nature, Perturbed Angular Correlation (PAC) spectroscopy was used to measure the hyperfine parameters in molecules of ligand compounds in solutions. The measurements were carried out at 295 K and 77 K using {sup 111}In {yields} {sup 111}Cd, {sup 181}Hf {yields} {sup 181}Ta and {sup 111m}Cd {yields}{sup 111}Cd, as probe nuclei. Samples were prepared by adding a small volume of radioactive solution containing the probe nuclei in aqueous solution, buffer solution and ethylenediaminetetraacetic acid (EDTA) used as a ligand with pH 4.3 which correspond to the pH of the saturated EDTA solution and in buffer solution with pH between 9 and 10. The results made possible to understand the impact of each method for PAC measurements. Finally a comparative analysis for the several methods of inserting of the probe nuclei in the sample was made, considering chemical and nuclear aspects. The lack of measurements in this kind of samples justifies the importance of the obtained results. (author)

Uncertainty principle for angular position and angular momentum

International Nuclear Information System (INIS)

Franke-Arnold, Sonja; Barnett, Stephen M; Yao, Eric; Leach, Jonathan; Courtial, Johannes; Padgett, Miles

2004-01-01

The uncertainty principle places fundamental limits on the accuracy with which we are able to measure the values of different physical quantities (Heisenberg 1949 The Physical Principles of the Quantum Theory (New York: Dover); Robertson 1929 Phys. Rev. 34 127). This has profound effects not only on the microscopic but also on the macroscopic level of physical systems. The most familiar form of the uncertainty principle relates the uncertainties in position and linear momentum. Other manifestations include those relating uncertainty in energy to uncertainty in time duration, phase of an electromagnetic field to photon number and angular position to angular momentum (Vaccaro and Pegg 1990 J. Mod. Opt. 37 17; Barnett and Pegg 1990 Phys. Rev. A 41 3427). In this paper, we report the first observation of the last of these uncertainty relations and derive the associated states that satisfy the equality in the uncertainty relation. We confirm the form of these states by detailed measurement of the angular momentum of a light beam after passage through an appropriate angular aperture. The angular uncertainty principle applies to all physical systems and is particularly important for systems with cylindrical symmetry

Syntheses, structures and properties of three new two-dimensional Cu(I)-Ln(III) heterometallic coordination polymers based on 2,2'-dipyridyl-5,5'-dicarboxylate ligands.

Science.gov (United States)

Zhao, Junwei; Cheng, Yamin; Shang, Sensen; Zhang, Fang; Chen, Li; Chen, Lijuan

2013-12-01

Three new two-dimensional Cu(I)-Ln(III) heterometallic coordination polymers [Ln(III)Cu2(I)(Hbpdc)4] · Cl · xH2O [Ln(III) = La(III), x = 8 (1); Ln(III) = Pr(III), x=9 (2); Ln(III) = Eu(III), x = 8 (3)] (H2bpdc = 2,2'-bipyridyl-5,5'-dicarboxylic acid) have been prepared under hydrothermal conditions and structurally characterized by elemental analyses, inductively coupled plasma atomic emission spectrometry (ICP-AES) analyses, IR spectra, X-ray photoelectron spectroscopy (XPS) and single-crystal X-ray diffraction. X-ray diffraction indicates that the isomorphic 1-3 display the two-dimensional sheet structure constructed from [Cu(I)(Hbpdc)2](-) fragments through Ln(3+) connectors. Moreover, the solid-state photoluminescence measurements of 3 indicate that the Eu(III) ions, Hbpdc(-) ligands and Cu(I) cations make contributions to its luminescent properties simultaneously. Copyright © 2013 Elsevier B.V. All rights reserved.

Structural Diversity of Metallosupramolecular Assemblies Based on the Bent Bridging Ligand 4,4′-Dithiodipyridine

Directory of Open Access Journals (Sweden)

Rüdiger W. Seidel

2013-05-01

Full Text Available 4,4′-Dithiodipyridine (dtdp, also termed 4,4′-dipyridyldisulfide, is a bridging ligand of the 4,4′-bipyridine type. The introduction of the disulfide moiety inevitably leads to a relatively rigid angular structure, which exhibits axial chirality. More than 90 metal complexes containing the dtdp ligand have been crystallographically characterised until now. This review focuses on the preparation and structural diversity of discrete and polymeric metallosupramolecular assemblies constructed from dtdp as bridging ligands. These encompass metallamacrocycles with M2L2 topology and coordination polymers with periodicity in one or two dimensions. One-dimensional coordination polymers represent the vast majority of the metallosupramolecular structures obtained from dtdp. These include repeated rhomboids, zigzag, helical and arched chains among other types. In this contribution, we make an attempt to provide a comprehensive account of the structural data that are currently available for metallosupramolecular assemblies based on the bent bridging ligand dtdp.

Bridging cobalt-calixarene subunits into a Co8 entity or a chain with 4,4‧-bipyridyl

Science.gov (United States)

Liu, Wei; Liu, Mei; Du, Shangchao; Li, Yafeng; Liao, Wuping

2014-02-01

Two novel calixarene-based compounds, {[Co4Cl(TC4A)(HCOO)3]2(4,4‧-bpy)2} (CIAC-206) and {[Co3(H2O)(SC4A-SO2)(HCOO)2]2(4,4‧-bpy)}n (CIAC-207) (H4TC4A = p-tert-butylthiacalix[4]arene, SC4A-SO2 = p-tert-butylsulfonylcalix[4]arene, 4,4‧-bpy = 4,4‧-bipyridyl) were synthesized under solvothermal conditions, and characterized by single crystal X-ray diffraction analysis, TG-DSC analysis, elemental analysis and IR spectroscopy. These two structures are featured with isolated Z-shaped Co8 entities containing two Co4-TC4A subunits bridged by two parallel 4,4‧-bpy (CIAC-206) and some zigzag chains with [Co3-SC4A-SO2]2 dimers bridged by single 4,4‧-bpy (CIAC-207), respectively. In order to evaluate their properties, the N2 sorption behavior and magnetic property were examined.

Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands

International Nuclear Information System (INIS)

Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya

2013-01-01

Diverse (4,4) grid layers are exemplified in five two-dimensional coordination polymers with dual µ 2 -bridged ligands, namely, ([Zn(cbaa)(bpp)]·H 2 O) n (1), [Zn 2 (cbaa) 2 (bpy)] n (2), [Co 2 (cbaa) 2 (bpp) 2 ] n (3), [Co(cbaa)(bpp)] n (4), and [Co(bdaa)(bpp)(H 2 O) 2 ] n (5) (H 2 cbaa=4-carboxybenzeneacetic acid, bpp=1,3-di(4-pyridyl)propane, bpy=4,4′-bipyridyl, and H 2 bdaa=1,4-benzenediacrylic acid). For 1, two (4,4) grid layers with [ZnN 2 O 2 ] tetrahedron as the node are held together by lattice water forming a H-bonding bilayer. Individual (4,4) grid layer in 2 is based on (Zn 2 (OCO) 4 ) paddlewheel unit as the node. Two (4,4) grid layers with (Co 2 O(OCO) 2 ) dimer as the node are covalently interconnected by organic ligands affording a thick bilayer of 3 with new framework topology. The different entanglements between two coincident (4,4) grid layers with [CoN 2 O 4 ] octahedron as the node leads to two 2D→2D interpenetrated structures for 4 and 5. Furthermore, fluorescent properties of 1 and 2 as well as magnetic properties of 3 are investigated. - Graphical abstract: Diverse assemblies of the (4,4) grid layers with different network nodes forms five coordination polymers that are well characterized by IR, TGA, element analysis, fluorescent and magnetic measurement. - Highlights: • Diverse assemblies of the (4,4) grid layers with different structural units as the nodes. • A new topology type with the uninodal 6-connected net of (4 12 .5 2 .6) is found. • Intense fluorescence emissions with a rare blue-shift of 55 nm compared to free carboxylate ligand

An NMR strategy for fragment-based ligand screening utilizing a paramagnetic lanthanide probe

International Nuclear Information System (INIS)

Saio, Tomohide; Ogura, Kenji; Shimizu, Kazumi; Yokochi, Masashi; Burke, Terrence R.; Inagaki, Fuyuhiko

2011-01-01

A nuclear magnetic resonance-based ligand screening strategy utilizing a paramagnetic lanthanide probe is presented. By fixing a paramagnetic lanthanide ion to a target protein, a pseudo-contact shift (PCS) and a paramagnetic relaxation enhancement (PRE) can be observed for both the target protein and its bound ligand. Based on PRE and PCS information, the bound ligand is then screened from the compound library and the structure of the ligand–protein complex is determined. PRE is an isotropic paramagnetic effect observed within 30 Å from the lanthanide ion, and is utilized for the ligand screening in the present study. PCS is an anisotropic paramagnetic effect providing long-range (∼40 Å) distance and angular information on the observed nuclei relative to the paramagnetic lanthanide ion, and utilized for the structure determination of the ligand–protein complex. Since a two-point anchored lanthanide-binding peptide tag is utilized for fixing the lanthanide ion to the target protein, this screening method can be generally applied to non-metal-binding proteins. The usefulness of this strategy was demonstrated in the case of the growth factor receptor-bound protein 2 (Grb2) Src homology 2 (SH2) domain and its low- and high-affinity ligands.

Optical Angular Momentum

International Nuclear Information System (INIS)

Arimondo, Ennio

2004-01-01

For many years the Institute of Physics has published books on hot topics based on a collection of reprints from different journals, including some remarks by the editors of each volume. The book on Optical Angular Momentum, edited by L Allen, S M Barnett and M J Padgett, is a recent addition to the series. It reproduces forty four papers originally published in different journals and in a few cases it provides direct access to works not easily accessible to a web navigator. The collection covers nearly a hundred years of progress in physics, starting from an historic 1909 paper by Poynting, and ending with a 2002 paper by Padgett, Barnett and coworkers on the measurement of the orbital angular momentum of a single photon. The field of optical angular momentum has expanded greatly, creating an interdisciplinary attraction for researchers operating in quantum optics, atomic physics, solid state physics, biophysics and quantum information theory. The development of laser optics, especially the control of single mode sources, has made possible the specific design of optical radiation modes with a high degree of control on the light angular momentum. The editors of this book are important figures in the field of angular momentum, having contributed to key progress in the area. L Allen published an historical paper in 1999, he and M J Padgett (together with M Babiker) produced few years ago a long review article which is today still the most complete basic introduction to the angular momentum of light, while S M Barnett has contributed several high quality papers to the progress of this area of physics. The editors' choice provides an excellent overview to all readers, with papers classified into eight different topics, covering the basic principles of the light and spin and orbital angular momentum, the laboratory tools for creating laser beams carrying orbital angular momentum, the optical forces and torques created by laser beams carrying angular momentum on

Synthesis and Isotope Effects on the Excited State Properties of NN Bound Complexes

NARCIS (Netherlands)

Soman, Suraj; Younis, Hamid M.; Browne, Wesley R.; Vos, Johannes G.; Pryce, Mary T.

2017-01-01

A versatile approach to the preparation of [Ir(LL)(2)Cl-2](PF6) type complexes is reported, in which LL is an (NN)-N- bound polypyridyl ligand [X(2)bpy, X(2)phen, where X = H-, CH3-, (CH3)(3)C-, or phenyl-, and bpy = 2,2-bipyridyl, phen = 1,10-phenanthroline] as well as their deuterated analogues.

Angular correlation methods

International Nuclear Information System (INIS)

Ferguson, A.J.

1974-01-01

An outline of the theory of angular correlations is presented, and the difference between the modern density matrix method and the traditional wave function method is stressed. Comments are offered on particular angular correlation theoretical techniques. A brief discussion is given of recent studies of gamma ray angular correlations of reaction products recoiling with high velocity into vacuum. Two methods for optimization to obtain the most accurate expansion coefficients of the correlation are discussed. (1 figure, 53 references) (U.S.)

Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties

Energy Technology Data Exchange (ETDEWEB)

Feng, Xun [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Liu, Jing [College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001 (China); College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Li, Jin; Ma, Lu-Fang [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Wang, Li-Ya, E-mail: wlya@lynu.edu.cn [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang 473601 (China); Ng, Seik-Weng [Department of Chemistry, University of Malaya, Kuala Lumpur 50603 (Malaysia); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 80203 (Saudi Arabia); Qin, Guo-Zhan [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China)

2015-10-15

Reactions between later metal salts and conjugational N-hetrocyclic sulfonate/ carboxylic acid under the presence of bipyridyl auxiliary ligands afforded a series of manganese, nickel, zinc, silver, cadmium coordination polymers bearing with phenyl pendant arm attached to quinoline skeletons, and they have been characterized by elements analysis, thermogravimetry, infrared spectroscopy and single-crystal X-ray diffraction studying. The series of polymers show interesting structural diversity in coordination environment, dimensions and topologies. They are all built from 2-D networks constructed from metal cluster through sulfonate or carboxylate groups, as the secondary building unit (SBU). The thermalgravimetric analyses show that they display framework stabilities in solid state. Variable-temperature magnetic susceptibility studies reveal the existence of antiferromagnetic interactions between adjacent Mn (II) ions in 1, and ferromagnetic interactions between Ni(II) ions for 2, respectively. The photo-luminescence properties of 3-5 have also been investigated systemically. - Highlights: • A series of coordination polymers based on later transition metal ions have been obtained. • They contain conjugational N-hetrocyclic sulfonate-carboxylic acid and bipyridyl auxiliary ligands. • They have been characterized systemically. • They exhibit structure diversity and interesting properties.

Optical angular momentum and atoms.

Science.gov (United States)

Franke-Arnold, Sonja

2017-02-28

Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom's angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light's OAM, aiding our fundamental understanding of light-matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

Optical angular momentum and atoms

Science.gov (United States)

2017-01-01

Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom’s angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light’s OAM, aiding our fundamental understanding of light–matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors. This article is part of the themed issue ‘Optical orbital angular momentum’. PMID:28069766

De novo design of ligands for metal separation. Annual progress report, September 15, 1996 - September 14, 1997

International Nuclear Information System (INIS)

1997-01-01

'The specific aim of this report is to parameterize force field to reproduce geometries and relative energetics of metal-ligand complexes for cesium, strontium, plutonium, uranium, americium and other relevent alkali, transition, lanthanide and actinide metals. As an initial attempt to examine parametrization, Dr. Yasuo Takeuchi has examined parameters for iron in combination with the molecular mechanics force field. The authors realize that most of the current ad hoc methodologies used to model metal interactions in the past do not have a firm theoretical foundation for modeling the d and f orbitals. They have, therefore, started a collaboration with Prof. Anders Carlsson of the Department of Physics to provide a theoretically correct functional form for the metal force field. Prof. Carlsson has an extensive track record in the derivation of the form of angular force fields from analysis of the quantum-mechanical electronic structure. His most important related works have treated the angular forces around transition-metal (TM) atoms in an aluminum host, the angular forces in elemental bcc transition metals, and the origins of angular and torsional forces in well-bonded s-p systems. They propose to apply the basic ideas of these calculations to developing force laws for transition metal ions in biomolecules. Of particular relevance to the proposed work is his study analyzing angular forces around transition metal (TM) atoms embedded in an aluminum host. Such TM atoms have a profound effect on the host structure, often entirely reassembling the host structure in order to satisfy the angular bonding constraints around the TM atoms. For example, at a concentration of only 1 ∼ TM to 12 ∼ Al, the transition metals Mn, Mo, Tc, W, and Re form the Al 12 W structure, in which the underlying fcc aluminum lattice is disassembled and reassembled into icosahedra which surround the transition-metal atoms. The Al 12 W structure is a body-centered cubic arrangement of such

Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands

Energy Technology Data Exchange (ETDEWEB)

Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang, Henan 471022 (China); Wang, Li-Ya, E-mail: wlya@lynu.edu.cn [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang, Henan 471022 (China); College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang, Henan 473061 (China)

2013-07-15

Diverse (4,4) grid layers are exemplified in five two-dimensional coordination polymers with dual µ{sub 2}-bridged ligands, namely, ([Zn(cbaa)(bpp)]·H{sub 2}O){sub n} (1), [Zn{sub 2}(cbaa){sub 2}(bpy)]{sub n} (2), [Co{sub 2}(cbaa){sub 2}(bpp){sub 2}]{sub n} (3), [Co(cbaa)(bpp)]{sub n} (4), and [Co(bdaa)(bpp)(H{sub 2}O){sub 2}]{sub n} (5) (H{sub 2}cbaa=4-carboxybenzeneacetic acid, bpp=1,3-di(4-pyridyl)propane, bpy=4,4′-bipyridyl, and H{sub 2}bdaa=1,4-benzenediacrylic acid). For 1, two (4,4) grid layers with [ZnN{sub 2}O{sub 2}] tetrahedron as the node are held together by lattice water forming a H-bonding bilayer. Individual (4,4) grid layer in 2 is based on (Zn{sub 2}(OCO){sub 4}) paddlewheel unit as the node. Two (4,4) grid layers with (Co{sub 2}O(OCO){sub 2}) dimer as the node are covalently interconnected by organic ligands affording a thick bilayer of 3 with new framework topology. The different entanglements between two coincident (4,4) grid layers with [CoN{sub 2}O{sub 4}] octahedron as the node leads to two 2D→2D interpenetrated structures for 4 and 5. Furthermore, fluorescent properties of 1 and 2 as well as magnetic properties of 3 are investigated. - Graphical abstract: Diverse assemblies of the (4,4) grid layers with different network nodes forms five coordination polymers that are well characterized by IR, TGA, element analysis, fluorescent and magnetic measurement. - Highlights: • Diverse assemblies of the (4,4) grid layers with different structural units as the nodes. • A new topology type with the uninodal 6-connected net of (4{sup 12}.5{sup 2}.6) is found. • Intense fluorescence emissions with a rare blue-shift of 55 nm compared to free carboxylate ligand.

Angular Momentum in Dwarf Galaxies

Directory of Open Access Journals (Sweden)

Del Popolo A.

2014-06-01

Full Text Available We study the “angular momentum catastrophe” in the framework of interaction among baryons and dark matter through dynamical friction. By means of Del Popolo (2009 model we simulate 14 galaxies similar to those investigated by van den Bosch, Burkert and Swaters (2001, and calculate the distribution of their spin parameters and the angular momenta. Our model gives the angular momentum distribution which is in agreement with the van den Bosch et al. observations. Our result shows that the “angular momentum catastrophe” can be naturally solved in a model that takes into account the baryonic physics and the exchange of energy and angular momentum between the baryonic clumps and dark matter through dynamical friction.

Sol-gel-immobilized Tris(2,2'-bipyridyl)ruthenium(II) electrogenerated chemiluminescence sensor for high-performance liquid chromatography

International Nuclear Information System (INIS)

Choi, Han Nim; Cho, Sung-Hee; Park, Yu-Jin; Lee, Dai Woon; Lee, Won-Yong

2005-01-01

The sol-gel-immobilized Tris(2,2'-bipyridyl)ruthenium(II) [Ru(bpy) 3 2+ ] electrogenerated chemiluminescence (ECL) sensor was applied to the reversed-phase high-performance liquid chromatography (HPLC) determination of phenothiazine derivatives (promazine, chlorpromazine, triflupromazine, thioridazine, and trifluoperazine) and erythromycin in human urine samples. In this method, Ru(bpy) 3 2+ was immobilized in sol-gel-derived titania (TiO 2 )-Nafion nanocomposite films coated on a dual platinum electrode. This method eliminates an extra pump needed for the delivery of Ru(bpy) 3 2+ reagent into a reaction/observation zone in front of photomultiplier tube because the immobilized-Ru(bpy) 3 2+ is recycled on the electrode surface by an applied potential at +1.3 V versus Ag/AgCl (3 M NaCl) reference electrode. The resulting analytical performances such as detection limit, working range, sensitivity, and measurement precision were slightly worse than those obtained with the conventional post-column Ru(bpy) 3 2+ addition approach. The lack of significant interferences and the low detection limits for phenothiazine derivatives and erythromycin indicate that the proposed HPLC-Ru(bpy) 3 2+ ECL detection method is suitable for the determination of those compounds in biological fluids

Data-oriented development with AngularJS

CERN Document Server

Waikar, Manoj

2015-01-01

This book helps beginner-level AngularJS developers organize AngularJS applications by discussing important AngularJS concepts and best practices. If you are an experienced AngularJS developer but haven't written directives or haven't created custom HTML controls before, then this book is ideal for you.

AngularJS web application development

CERN Document Server

Darwin, Peter Bacon

2013-01-01

The book will be a step-by-step guide showing the readers how to build a complete web app with AngularJSJavaScript developers who want to learn AngularJS for developing web apps. Knowledge of JavaScript and HTML is expected. No knowledge of AngularJS is required.

Angular momentum of dwarf galaxies

Science.gov (United States)

Kurapati, Sushma; Chengalur, Jayaram N.; Pustilnik, Simon; Kamphuis, Peter

2018-05-01

Mass and specific angular momentum are two fundamental physical parameters of galaxies. We present measurements of the baryonic mass and specific angular momentum of 11 void dwarf galaxies derived from neutral hydrogen (HI) synthesis data. Rotation curves were measured using 3D and 2D tilted ring fitting routines, and the derived curves generally overlap within the error bars, except in the central regions where, as expected, the 3D routines give steeper curves. The specific angular momentum of void dwarfs is found to be high compared to an extrapolation of the trends seen for higher mass bulge-less spirals, but comparable to that of other dwarf irregular galaxies that lie outside of voids. As such, our data show no evidence for a dependence of the specific angular momentum on the large scale environment. Combining our data with the data from the literature, we find a baryonic threshold of ˜109.1 M⊙ for this increase in specific angular momentum. Interestingly, this threshold is very similar to the mass threshold below which the galaxy discs start to become systematically thicker. This provides qualitative support to the suggestion that the thickening of the discs, as well as the increase in specific angular momentum, are both results of a common physical mechanism, such as feedback from star formation. Quantitatively, however, the amount of star formation observed in our dwarfs appears insufficient to produce the observed increase in specific angular momentum. It is hence likely that other processes, such as cold accretion of high angular momentum gas, also play a role in increasing the specific angular momentum.

Electrogenerated chemiluminescence: An oxidative-reductive mechanism between quinolone antibiotics and tris(2,2'-bipyridyl)ruthenium(II)

International Nuclear Information System (INIS)

Burkhead, Matthew S.; Wang, Heeyoung; Fallet, Marcel; Gross, Erin M.

2008-01-01

The cyclic voltammetry and electrogenerated chemiluminescent (ECL) reactions of a series of quinolone and fluoroquinolone antibiotics were investigated in a flow injection analysis (FIA) system. 7-Piperazinyl fluoroquinolone antibiotics were found to participate as a coreactant in an oxidative-reductive ECL mechanism with tris(2,2'-bipyridyl)ruthenium(II) (Ru(bpy) 3 2+ ) as the luminescent reagent. The reaction mechanism was investigated in order to understand and optimize the processes leading to light emission. The optimal conditions included a solution pH ∼7 at a flow rate of 3.0 mL min -1 with no added organic modifier and application of 1.2 V vs. a Pt quasi-reference electrode (QRE). Fluoroquinolones containing a tertiary distal nitrogen on the piperazine ring, such as enrofloxacin and ofloxacin, reacted to produce more intense ECL than those with a secondary nitrogen, such as ciprofloxacin and norfloxacin. The method linear range, precision, detection limits, and sensitivity for the detection of enrofloxacin and ciprofloxacin were compared to that of tripropylamine. The method was applied to the determination of the ciprofloxacin content in a pharmaceutical preparation. The assay is discussed in terms of its analytical figures of merit, ease of use, speed, accuracy and application to pharmaceutical samples

A proposed measurement of optical orbital and spin angular momentum and its implications for photon angular momentum

Directory of Open Access Journals (Sweden)

Elliot Leader

2018-04-01

Full Text Available The expression for the total angular momentum carried by a laser optical vortex beam, splits, in the paraxial approximation, into two terms which seem to represent orbital and spin angular momentum respectively. There are, however, two very different competing versions of the formula for the spin angular momentum, one based on the use of the Poynting vector, as in classical electrodynamics, the other related to the canonical expression for the angular momentum which occurs in Quantum Electrodynamics. I analyze the possibility that a sufficiently sensitive optical measurement could decide which of these corresponds to the actual physical angular momentum carried by the beam. Keywords: Photon, Angular momentum, Laser optics, Particle physics

AngularJS : yksisivuisen web-sovelluksen käyttöliittymän toteutus AngularJS:llä

OpenAIRE

Suomijoki, Juha

2015-01-01

Opinnäytetyössä tutkittiin mikä on AngularJS-JavaScript-ohjelmistokehys ja miten se soveltuu yksisivuisen web-sovelluksen käyttöliittymän toteutukseen. AngularJS on vuonna 2012 julkaistu Googlen ylläpitämä JavaScript-ohjelmistokehys, joka on tarkoitettu ensisijaisesti yksisivuisten web-sovellusten kehittämiseen. Opinnäytetyön teoriaosuudessa tutkittiin mikä AngularJS on ja mitkä ovat AngularJS:n keskeiset konseptit ja sovelluskomponentit. Tarkastelu pohjautui AngularJS:stä kirjoitettu...

Quark Orbital Angular Momentum

Directory of Open Access Journals (Sweden)

Burkardt Matthias

2015-01-01

Full Text Available Definitions of orbital angular momentum based on Wigner distributions are used as a framework to discuss the connection between the Ji definition of the quark orbital angular momentum and that of Jaffe and Manohar. We find that the difference between these two definitions can be interpreted as the change in the quark orbital angular momentum as it leaves the target in a DIS experiment. The mechanism responsible for that change is similar to the mechanism that causes transverse single-spin asymmetries in semi-inclusive deep-inelastic scattering.

Rotations and angular momentum

International Nuclear Information System (INIS)

Nyborg, P.; Froyland, J.

1979-01-01

This paper is devoted to the analysis of rotational invariance and the properties of angular momentum in quantum mechanics. In particular, the problem of addition of angular momenta is treated in detail, and tables of Clebsch-Gordan coefficients are included

Crystal structures and conformers of CyMe4-BTBP

Directory of Open Access Journals (Sweden)

Lyczko Krzysztof

2015-12-01

Full Text Available The crystal structure of new conformation of the CyMe4-BTBP ligand (ttc has been presented. The ttt conformer of this compound in a form of THF solvate has been also crystallized. The geometries of six possible conformations (ttt, ttc, tct, tcc, ctc and ccc of the CyMe4-BTBP ligand have been modeled in the gas phase and in solutions (MeOH and H2O by DFT calculations using B3LYP/6-31G(d,p method. According to the calculations, in the three different media the conformers with trans orientation of the N atoms in the bipyridyl moiety are the most stable.

A proposed measurement of optical orbital and spin angular momentum and its implications for photon angular momentum

Science.gov (United States)

Leader, Elliot

2018-04-01

The expression for the total angular momentum carried by a laser optical vortex beam, splits, in the paraxial approximation, into two terms which seem to represent orbital and spin angular momentum respectively. There are, however, two very different competing versions of the formula for the spin angular momentum, one based on the use of the Poynting vector, as in classical electrodynamics, the other related to the canonical expression for the angular momentum which occurs in Quantum Electrodynamics. I analyze the possibility that a sufficiently sensitive optical measurement could decide which of these corresponds to the actual physical angular momentum carried by the beam.

AngularJS Performance: A Survey Study

OpenAIRE

Ramos, Miguel; Valente, Marco Tulio; Terra, Ricardo

2017-01-01

AngularJS is a popular JavaScript MVC-based framework to construct single-page web applications. In this paper, we report the results of a survey with 95 professional developers about performance issues of AngularJS applications. We report common practices followed by developers to avoid performance problems (e.g., use of third-party or custom components), the general causes of performance problems in AngularJS applications (e.g., inadequate architecture decisions taken by AngularJS users), a...

Angular Positioning Sensor for Space Mechanisms

Science.gov (United States)

Steiner, Nicolas; Chapuis, Dominique

2013-09-01

Angular position sensors are used on various rotating mechanisms such as solar array drive mechanisms, antenna pointing mechanisms, scientific instruments, motors or actuators.Now a days, potentiometers and encoders are mainly used for angular measurement purposes. Both of them have their own pros and cons.As alternative, Ruag Space Switzerland Nyon (RSSN) is developing and qualifying two innovative technologies of angular position sensors which offer easy implementation, medium to very high lifetime and high flexibility with regards to the output signal shape/type.The Brushed angular position sensor uses space qualified processes which are already flying on RSSN's sliprings for many years. A large variety of output signal shape can be implemented to fulfill customer requirements (digital, analog, customized, etc.).The contactless angular position sensor consists in a new radiation hard Application Specific Integrated Circuit (ASIC) based on the Hall effect and providing the angular position without complex processing algorithm.

Electrogenerated chemiluminescence: An oxidative-reductive mechanism between quinolone antibiotics and tris(2,2'-bipyridyl)ruthenium(II)

Energy Technology Data Exchange (ETDEWEB)

Burkhead, Matthew S.; Wang, Heeyoung; Fallet, Marcel [Department of Chemistry, Creighton University, Omaha, NE 68178 (United States); Gross, Erin M. [Department of Chemistry, Creighton University, Omaha, NE 68178 (United States)], E-mail: eringross@creighton.edu

2008-04-21

The cyclic voltammetry and electrogenerated chemiluminescent (ECL) reactions of a series of quinolone and fluoroquinolone antibiotics were investigated in a flow injection analysis (FIA) system. 7-Piperazinyl fluoroquinolone antibiotics were found to participate as a coreactant in an oxidative-reductive ECL mechanism with tris(2,2'-bipyridyl)ruthenium(II) (Ru(bpy){sub 3}{sup 2+}) as the luminescent reagent. The reaction mechanism was investigated in order to understand and optimize the processes leading to light emission. The optimal conditions included a solution pH {approx}7 at a flow rate of 3.0 mL min{sup -1} with no added organic modifier and application of 1.2 V vs. a Pt quasi-reference electrode (QRE). Fluoroquinolones containing a tertiary distal nitrogen on the piperazine ring, such as enrofloxacin and ofloxacin, reacted to produce more intense ECL than those with a secondary nitrogen, such as ciprofloxacin and norfloxacin. The method linear range, precision, detection limits, and sensitivity for the detection of enrofloxacin and ciprofloxacin were compared to that of tripropylamine. The method was applied to the determination of the ciprofloxacin content in a pharmaceutical preparation. The assay is discussed in terms of its analytical figures of merit, ease of use, speed, accuracy and application to pharmaceutical samples.

Instant AngularJS starter

CERN Document Server

Menard, Dan

2013-01-01

Get to grips with a new technology, understand what it is and what it can do for you, and then get to work with the most important features and tasks. This book is written in an easytoread style, with a strong emphasis on realworld, practical examples. Stepbystep explanations are provided for performing important tasks.This book is for web developers familiar with JavascriptIt doesn't cover the history of AngularJS, and it's not a pitch to convince you that AngularJS is the best framework on the entire web. It's a guide to help you learn everything you need to know about AngularJS in as few pa

AngularJS testing cookbook

CERN Document Server

Bailey, Simon

2015-01-01

This book is intended for developers who have an understanding of the basic principles behind both AngularJS and test-driven development. You, as a developer, are interested in eliminating the fear related to either introducing tests to an existing codebase or starting out testing on a fresh AngularJS application. If you're a team leader or part of a QA team with the responsibility of ensuring full test coverage of an application, then this book is ideal for you to comprehend the full testing scope required by your developers. Whether you're new to or are well versed with AngularJS, this book

Roles of Bridging Ligand Topology and Conformation in Controlling Exchange Interactions between Paramagnetic Molybdenum Fragments in Dinuclear and Trinuclear Complexes.

Science.gov (United States)

Ung VÂ, V&acaron;n Ân; Cargill Thompson, Alexander M. W.; Bardwell, David A.; Gatteschi, Dante; Jeffery, John C.; McCleverty, Jon A.; Totti, Federico; Ward, Michael D.

1997-07-30

The magnetic properties of two series of dinuclear complexes, and one trinuclear complex, have been examined as a function of the bridging pathway between the metal centers. The first series of dinuclear complexes is [{Mo(V)(O)(Tp)Cl}(2)(&mgr;-OO)], where "OO" is [1,4-O(C(6)H(4))(n)O](2)(-) (n = 1, 1; n = 2, 3), [4,4'-O(C(6)H(3)-2-Me)(2)O](2)(-) (4), or [1,3-OC(6)H(4)O](2)(-) (2) [Tp = tris(3,5-dimethylpyrazolyl)hydroborate]. The second series of dinuclear complexes is [{Mo(I)(NO)(Tp)Cl}(2)(&mgr;-NN)], where "NN" is 4,4'-bipyridyl (5), 3,3'-dimethyl-4,4'-bipyridine (6), 3,8-phenanthroline (7), or 2,7-diazapyrene (8). The trinuclear complex is [{Mo(V)(O)(Tp)Cl}(3)(1,3,5-C(6)H(3)O(3))] (9), whose crystal structure was determined [9.5CH(2)Cl(2): C(56)H(81)B(3)Cl(13)Mo(3)N(18)O(6); monoclinic, P2(1)/n; a = 13.443, b = 41.46(2), c = 14.314(6) Å; beta = 93.21(3) degrees; V = 7995(5) Å(3); Z = 4; R(1) = 0.106]. In these complexes, the sign and magnitude of the exchange coupling constant J is clearly related to both the topology and the conformation of the bridging ligand [where J is derived from H = -JS(1)().S(2)() for 1-8 and H = -J(S(1)().S(2)() + S(2)().S(3)() + S(1)().S(3)()) for 9]. The values are as follows: 1, -80 cm(-)(1); 2, +9.8 cm(-)(1); 3, -13.2 cm(-)(1); 4, -2.8 cm(-)(1); 5, -33 cm(-)(1); 6, -3.5 cm(-)(1); 7, -35.6 cm(-)(1); 8, -35.0 cm(-)(1); 9, +14.4 cm(-)(1). In particular the following holds: (1) J is negative (antiferromagnetic exchange) across the para-substituted bridges ligands of 1 and 3-8 but positive (ferromagnetic exchange) across the meta-substituted bridging ligands of 2 and 9. (2) J decreases in magnitude dramatically as the bridging ligand conformation changes from planar to twisted (compare 3 and 4, or 6 and 8). These observations are consistent with a spin-polarization mechanism for the exchange interaction, propagated across the pi-system of the bridging ligand by via overlap of bridging ligand p(pi) orbitals with the d(pi) magnetic

Variation in angular velocity and angular acceleration of a particle in rectilinear motion

International Nuclear Information System (INIS)

Mashood, K K; Singh, V A

2012-01-01

We discuss the angular velocity and angular acceleration associated with a particle in rectilinear motion with constant acceleration. The discussion was motivated by an observation that students and even teachers have difficulty in ascribing rotational motion concepts to a particle when the trajectory is a straight line. We present some details of our observations. A formal derivation of ω and α is presented which reveals ‘surprising’ and non-intuitive aspects, namely non-monotonic behaviour with an associated extremum. The special case of constant velocity is studied and we find that angular acceleration associated with it also has an extremum. We discuss a plausible source of difficulty. (paper)

Fission fragment angular momentum

International Nuclear Information System (INIS)

Frenne, D. De

1991-01-01

Most of the energy released in fission is converted into translational kinetic energy of the fragments. The remaining excitation energy will be distributed among neutrons and gammas. An important parameter characterizing the scission configuration is the primary angular momentum of the nascent fragments. Neutron emission is not expected to decrease the spin of the fragments by more than one unit of angular momentum and is as such of less importance in the determination of the initial fragment spins. Gamma emission is a suitable tool in studying initial fragment spins because the emission time, number, energy, and multipolarity of the gammas strongly depend on the value of the primary angular momentum. The main conclusions of experiments on gamma emission were that the initial angular momentum of the fragments is large compared to the ground state spin and oriented perpendicular to the fission axis. Most of the recent information concerning initial fragment spin distributions comes from the measurement of isomeric ratios for isomeric pairs produced in fission. Although in nearly every mass chain isomers are known, only a small number are suitable for initial fission fragment spin studies. Yield and half-life considerations strongly limit the number of candidates. This has the advantage that the behavior of a specific isomeric pair can be investigated for a number of fissioning systems at different excitation energies of the fragments and fissioning nuclei. Because most of the recent information on primary angular momenta comes from measurements of isomeric ratios, the global deexcitation process of the fragments and the calculation of the initial fragment spin distribution from measured isomeric ratios are discussed here. The most important results on primary angular momentum determinations are reviewed and some theoretical approaches are given. 45 refs., 7 figs., 2 tabs

Angular Acceleration without Torque?

Science.gov (United States)

Kaufman, Richard D.

2012-01-01

Hardly. Just as Robert Johns qualitatively describes angular acceleration by an internal force in his article "Acceleration Without Force?" here we will extend the discussion to consider angular acceleration by an internal torque. As we will see, this internal torque is due to an internal force acting at a distance from an instantaneous center.

Palladium(II/Cationic 2,2’-Bipyridyl System as a Highly Efficient and Reusable Catalyst for the Mizoroki-Heck Reaction in Water

Directory of Open Access Journals (Sweden)

Fu-Yu Tsai

2010-01-01

Full Text Available A water-soluble and air-stable Pd(NH32Cl2/cationic 2,2’-bipyridyl system was found to be a highly-efficient and reusable catalyst for the coupling of aryl iodides and alkenes in neat water using Bu3N as a base. The reaction was conducted at 140 °C in a sealed tube in air with a catalyst loading as low as 0.0001 mol % for the coupling of activated aryl iodides with butyl and ethyl acrylates, providing the corresponding products in good to excellent yields with very high turnover numbers. In the case of styrene, Mizoroki-Heck coupling products were obtained in good to high yields by using a greater catalyst loading (1 mol % and TBAB as a phase-transfer agent. After extraction, the residual aqueous solution could be reused several times with only a slight decrease in its activity, making the Mizoroki-Heck reaction “greener”.

Angular-momentum transport in nuclear collisions

International Nuclear Information System (INIS)

Wolschin, G.; Ayik, S.; Noerenberg, W.

1978-01-01

Among the various relaxation processes that can be observed in heavy-ion collisions, the dissipation of relative angular momentum into intrinsic angular momentum of the fragments attracts increasing attention. Here we present a transport theoretical description of angular-momentum and mass transport that allows for a transparent interpretation of the data. (orig.) [de

AngularJS test-driven development

CERN Document Server

Chaplin, Tim

2015-01-01

This book is for developers who want to learn about AngularJS development by applying testing techniques. You are assumed to have a basic knowledge and understanding of HTML, JavaScript, and AngularJS.

Two novel mixed-ligand complexes containing organosulfonate ligands.

Science.gov (United States)

Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun

2008-07-01

The structures reported herein, viz. bis(4-aminonaphthalene-1-sulfonato-kappaO)bis(4,5-diazafluoren-9-one-kappa(2)N,N')copper(II), [Cu(C(10)H(8)NO(3)S)(2)(C(11)H(6)N(2)O)(2)], (I), and poly[[[diaquacadmium(II)]-bis(mu-4-aminonaphthalene-1-sulfonato)-kappa(2)O:N;kappa(2)N:O] dihydrate], {[Cd(C(10)H(8)NO(3)S)(2)(H(2)O)(2)].2H(2)O}(n), (II), are rare examples of sulfonate-containing complexes where the anion does not fulfill a passive charge-balancing role, but takes an active part in coordination as a monodentate and/or bridging ligand. Monomeric complex (I) possesses a crystallographic inversion center at the Cu(II) atom, and the asymmetric unit contains one-half of a Cu atom, one complete 4-aminonaphthalene-1-sulfonate (ans) ligand and one 4,5-diazafluoren-9-one (DAFO) ligand. The Cu(II) atom has an elongated distorted octahedral coordination geometry formed by two O atoms from two monodentate ans ligands and by four N atoms from two DAFO molecules. Complex (II) is polymeric and its crystal structure is built up by one-dimensional chains and solvent water molecules. Here also the cation (a Cd(II) atom) lies on a crystallographic inversion center and adopts a slightly distorted octahedral geometry. Each ans anion serves as a bridging ligand linking two Cd(II) atoms into one-dimensional infinite chains along the [010] direction, with each Cd(II) center coordinated by four ans ligands via O and N atoms and by two aqua ligands. In both structures, there are significant pi-pi stacking interactions between adjacent ligands and hydrogen bonds contribute to the formation of two- and three-dimensional networks.

Do nonbonded H--H interactions in phenanthrene stabilize it relative to anthracene? A possible resolution to this question and its implications for ligands such as 2,2'-bipyridyl.

Science.gov (United States)

Hancock, Robert D; Nikolayenko, Igor V

2012-08-23

The problem of whether interactions between the hydrogen atoms at the 1,10-positions in the "cleft" of the "bent" phenanthrene stabilize the latter molecule thermodynamically relative to "linear" anthracene, or whether the higher stability of phenanthrene is due to a more energetically favorable π-system, is considered. DFT calculations at the X3LYP/cc-pVTZ(-f)++ level of the ground state energies (E) of anthracene, phenanthrene, and the set of five benzoquinolines are reported. In the gas phase, "bent" phenanthrene was computed to be thermodynamically more stable than "linear" anthracene by -28.5 kJ mol(-1). This fact was attributed predominantly to the phenomenon of higher aromatic stabilization of the π-system of phenanthrene relative to anthracene, and not to the stabilizing influence of the nonbonding H--H interactions in its cleft. In fact, these interactions in phenanthrene were shown to be destabilizing. Similar calculations for five benzoquinolines (bzq) indicate that ΔE values vary as: 6,7-bzq (linear) ≤ 2,3-bzq (linear) < 5,6-bzq (bent) ≤ 3,4-bzq (bent) < 7,8-bzq (bent, no H--H nonbonding interactions in cleft), supporting the idea that it is a more stable π-system that favors 7,8-bzq over 2,3-bzq and 6,7-bzq, and that the H--H interactions in the clefts of 3,4-bzq and 5,6-bzq are destabilizing. Intramolecular hydrogen bonding in the cleft of 7,8-bzq plays a secondary role in its stabilization relative 6,7-bzq. The question of whether H--H nonbonded interactions between H atoms at the 3 and 3' positions of 2,2'-bipyridyl (bpy) coordinated to metal ions are stabilizing or destabilizing is then considered. The energy of bpy is scanned as a function of N-C-C-N torsion angle (χ) in the gas-phase, and it is found that the trans form is 32.8 kJ mol(-1) more stable than the cis conformer. A relaxed coordinate scan of energy of bpy in aqueous solution as a function of χ is modeled using the PBF approach, and it is found that the trans conformer is

Natural roller bearing fault detection by angular measurement of true instantaneous angular speed

Science.gov (United States)

Renaudin, L.; Bonnardot, F.; Musy, O.; Doray, J. B.; Rémond, D.

2010-10-01

The challenge in many production activities involving large mechanical devices like power transmissions consists in reducing the machine downtime, in managing repairs and in improving operating time. Most online monitoring systems are based on conventional vibration measurement devices for gear transmissions or bearings in mechanical components. In this paper, we propose an alternative way of bearing condition monitoring based on the instantaneous angular speed measurement. By the help of a large experimental investigation on two different applications, we prove that localized faults like pitting in bearing generate small angular speed fluctuations which are measurable with optical or magnetic encoders. We also emphasize the benefits of measuring instantaneous angular speed with the pulse timing method through an implicit angular sampling which ensures insensitivity to speed fluctuation. A wide range of operating conditions have been tested for the two applications with varying speed, load, external excitations, gear ratio, etc. The tests performed on an automotive gearbox or on actual operating vehicle wheels also establish the robustness of the proposed methodology. By the means of a conventional Fourier transform, angular frequency channels kinematically related to the fault periodicity show significant magnitude differences related to the damage severity. Sideband effects are evidently seen when the fault is located on rotating parts of the bearing due to load modulation. Additionally, slip effects are also suspected to be at the origin of enlargement of spectrum peaks in the case of double row bearings loaded in a pure radial direction.

Angular momentum from tidal torques

International Nuclear Information System (INIS)

Barnes, J.; Efstathiou, G.; Cambridge Univ., England)

1987-01-01

The origin of the angular momentum of bound objects in large N-body simulations is studied using three sets of models. One model with white-noise initial conditions is analyzed as well as two in which the initial conditions have more power on large scales, as predicted in models with cold dark matter. The growth and distribution of angular momentum in individual objects is studied and it is found that the specific angular momentum distribution of bound clumps increases in a near linear fashion with radius while the orientation of the angular momentum in the inner high-density regions is often poorly correlated with that of the outer parts. It is also found that the dimensionless spin parameter is insensitive to the initial perturbation spectrum and has a median value of about 0.05. 61 references

Transverse and longitudinal angular momenta of light

Energy Technology Data Exchange (ETDEWEB)

Bliokh, Konstantin Y., E-mail: k.bliokh@gmail.com [Center for Emergent Matter Science, RIKEN, Wako-shi, Saitama 351-0198 (Japan); Nonlinear Physics Centre, RSPhysE, The Australian National University, Canberra, ACT 0200 (Australia); Nori, Franco [Center for Emergent Matter Science, RIKEN, Wako-shi, Saitama 351-0198 (Japan); Physics Department, University of Michigan, Ann Arbor, MI 48109-1040 (United States)

2015-08-26

We review basic physics and novel types of optical angular momentum. We start with a theoretical overview of momentum and angular momentum properties of generic optical fields, and discuss methods for their experimental measurements. In particular, we describe the well-known longitudinal (i.e., aligned with the mean momentum) spin and orbital angular momenta in polarized vortex beams. Then, we focus on the transverse (i.e., orthogonal to the mean momentum) spin and orbital angular momenta, which were recently actively discussed in theory and observed in experiments. First, the recently-discovered transverse spin  angular momenta appear in various structured fields: evanescent waves, interference fields, and focused beams. We show that there are several kinds of transverse spin angular momentum, which differ strongly in their origins and physical properties. We describe extraordinary features of the transverse optical spins and overview recent experiments. In particular, the helicity-independent transverse spin inherent in edge evanescent waves offers robust spin–direction coupling at optical interfaces (the quantum spin Hall effect of light). Second, we overview the transverse orbital angular momenta of light, which can be both extrinsic and intrinsic. These two types of the transverse orbital angular momentum are produced by spatial shifts of the optical beams (e.g., in the spin Hall effect of light) and their Lorentz boosts, respectively. Our review is underpinned by a unified theory of the angular momentum of light based on the canonical momentum and spin densities, which avoids complications associated with the separation of spin and orbital angular momenta in the Poynting picture. It allows us to construct a comprehensive classification of all known optical angular momenta based on their key parameters and main physical properties.

AutoSite: an automated approach for pseudo-ligands prediction—from ligand-binding sites identification to predicting key ligand atoms

Science.gov (United States)

Ravindranath, Pradeep Anand; Sanner, Michel F.

2016-01-01

Motivation: The identification of ligand-binding sites from a protein structure facilitates computational drug design and optimization, and protein function assignment. We introduce AutoSite: an efficient software tool for identifying ligand-binding sites and predicting pseudo ligand corresponding to each binding site identified. Binding sites are reported as clusters of 3D points called fills in which every point is labelled as hydrophobic or as hydrogen bond donor or acceptor. From these fills AutoSite derives feature points: a set of putative positions of hydrophobic-, and hydrogen-bond forming ligand atoms. Results: We show that AutoSite identifies ligand-binding sites with higher accuracy than other leading methods, and produces fills that better matches the ligand shape and properties, than the fills obtained with a software program with similar capabilities, AutoLigand. In addition, we demonstrate that for the Astex Diverse Set, the feature points identify 79% of hydrophobic ligand atoms, and 81% and 62% of the hydrogen acceptor and donor hydrogen ligand atoms interacting with the receptor, and predict 81.2% of water molecules mediating interactions between ligand and receptor. Finally, we illustrate potential uses of the predicted feature points in the context of lead optimization in drug discovery projects. Availability and Implementation: http://adfr.scripps.edu/AutoDockFR/autosite.html Contact: sanner@scripps.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27354702

Angular trap for macroparticles

International Nuclear Information System (INIS)

Aksyonov, D.S.

2013-01-01

Properties of angular macroparticle traps were investigated in this work. These properties are required to design vacuum arc plasma filters. The correlation between trap geometry parameters and its ability to absorb macroparticles were found. Calculations allow one to predict the behaviour of filtering abilities of separators which contain such traps in their design. Recommendations regarding the use of angular traps in filters of different builds are given.

Angular momentum in general relativity

International Nuclear Information System (INIS)

Cresswell, A.; Zimmerman, R.L.; Oregon Univ., Eugene

1986-01-01

It is argued that the correct expressions for the angular momentum flux carried by gravitational radiation should follow directly from the momentum currents. Following this approach, the authors compute the angular momentum associated with several different choices of energy-momentum prescriptions. (author)

Ligand Depot: a data warehouse for ligands bound to macromolecules.

Science.gov (United States)

Feng, Zukang; Chen, Li; Maddula, Himabindu; Akcan, Ozgur; Oughtred, Rose; Berman, Helen M; Westbrook, John

2004-09-01

Ligand Depot is an integrated data resource for finding information about small molecules bound to proteins and nucleic acids. The initial release (version 1.0, November, 2003) focuses on providing chemical and structural information for small molecules found as part of the structures deposited in the Protein Data Bank. Ligand Depot accepts keyword-based queries and also provides a graphical interface for performing chemical substructure searches. A wide variety of web resources that contain information on small molecules may also be accessed through Ligand Depot. Ligand Depot is available at http://ligand-depot.rutgers.edu/. Version 1.0 supports multiple operating systems including Windows, Unix, Linux and the Macintosh operating system. The current drawing tool works in Internet Explorer, Netscape and Mozilla on Windows, Unix and Linux.

Impact of protein and ligand impurities on ITC-derived protein-ligand thermodynamics.

Science.gov (United States)

Grüner, Stefan; Neeb, Manuel; Barandun, Luzi Jakob; Sielaff, Frank; Hohn, Christoph; Kojima, Shun; Steinmetzer, Torsten; Diederich, François; Klebe, Gerhard

2014-09-01

The thermodynamic characterization of protein-ligand interactions by isothermal titration calorimetry (ITC) is a powerful tool in drug design, giving valuable insight into the interaction driving forces. ITC is thought to require protein and ligand solutions of high quality, meaning both the absence of contaminants as well as accurately determined concentrations. Ligands synthesized to deviating purity and protein of different pureness were titrated by ITC. Data curation was attempted also considering information from analytical techniques to correct stoichiometry. We used trypsin and tRNA-guanine transglycosylase (TGT), together with high affinity ligands to investigate the effect of errors in protein concentration as well as the impact of ligand impurities on the apparent thermodynamics. We found that errors in protein concentration did not change the thermodynamic properties obtained significantly. However, most ligand impurities led to pronounced changes in binding enthalpy. If protein binding of the respective impurity is not expected, the actual ligand concentration was corrected for and the thus revised data compared to thermodynamic properties obtained with the respective pure ligand. Even in these cases, we observed differences in binding enthalpy of about 4kJ⋅mol(-1), which is considered significant. Our results indicate that ligand purity is the critical parameter to monitor if accurate thermodynamic data of a protein-ligand complex are to be recorded. Furthermore, artificially changing fitting parameters to obtain a sound interaction stoichiometry in the presence of uncharacterized ligand impurities may lead to thermodynamic parameters significantly deviating from the accurate thermodynamic signature. Copyright © 2014 Elsevier B.V. All rights reserved.

Orbital angular momentum in phase space

International Nuclear Information System (INIS)

Rigas, I.; Sanchez-Soto, L.L.; Klimov, A.B.; Rehacek, J.; Hradil, Z.

2011-01-01

Research highlights: → We propose a comprehensive Weyl-Wigner formalism for the canonical pair angle-angular momentum. → We present a simple and useful toolkit for the practitioner. → We derive simple evolution equations in terms of a star product in the semiclassical limit. - Abstract: A comprehensive theory of the Weyl-Wigner formalism for the canonical pair angle-angular momentum is presented. Special attention is paid to the problems linked to rotational periodicity and angular-momentum discreteness.

Angular momentum projected wave-functions

International Nuclear Information System (INIS)

Bengtsson, R.; Haakansson, H.B.

1978-01-01

Angular momentum projection has become a vital link between intrinsic model-wavefunctions and the physical states one intends to describe. We discuss in general terms some aspects of angular momentum projection and present results from projection on e.g. cranking wavefunctions. Mass densities and spectroscopic factors are also presented for some cases. (author)

Management of Angular Cheilitis in children

Directory of Open Access Journals (Sweden)

Fajriani Fajriani

2017-04-01

Full Text Available Objective : Angular cheilitis is a type of oral soft tissue disease that can occur in children and adults, the condition is characterized by cracks and inflammation on both corners of the mouth. Although this disease can not cause severe disorder, it quite disturbs one's activity and physical appearance. Mild Angular cheilitis will recover itself over times. However severe conditions can cause pain and bleeding. This paper aims to inform colleagues about management of angular cheilitis in children.

Management of angular cheilitis for children

Directory of Open Access Journals (Sweden)

Fajriani Fajriani

2016-06-01

Full Text Available Angular cheilitis is one type of oral soft tissue disease that can occur in both children and adults, the condition is characterized by cracks and inflammation in both corners of the mouth. Although this disease does not cause severe disruption but quite disturbing activity and also one's physical appearance. Angular cheilitis light will disappear on their own over time.Severe conditions that can cause pain and bleading. aims to give feedback on peers about managment angular cheilitis in children.

High angular resolution at LBT

Science.gov (United States)

Conrad, A.; Arcidiacono, C.; Bertero, M.; Boccacci, P.; Davies, A. G.; Defrere, D.; de Kleer, K.; De Pater, I.; Hinz, P.; Hofmann, K. H.; La Camera, A.; Leisenring, J.; Kürster, M.; Rathbun, J. A.; Schertl, D.; Skemer, A.; Skrutskie, M.; Spencer, J. R.; Veillet, C.; Weigelt, G.; Woodward, C. E.

2015-12-01

High angular resolution from ground-based observatories stands as a key technology for advancing planetary science. In the window between the angular resolution achievable with 8-10 meter class telescopes, and the 23-to-40 meter giants of the future, LBT provides a glimpse of what the next generation of instruments providing higher angular resolution will provide. We present first ever resolved images of an Io eruption site taken from the ground, images of Io's Loki Patera taken with Fizeau imaging at the 22.8 meter LBT [Conrad, et al., AJ, 2015]. We will also present preliminary analysis of two data sets acquired during the 2015 opposition: L-band fringes at Kurdalagon and an occultation of Loki and Pele by Europa (see figure). The light curves from this occultation will yield an order of magnitude improvement in spatial resolution along the path of ingress and egress. We will conclude by providing an overview of the overall benefit of recent and future advances in angular resolution for planetary science.

Radiofrequency encoded angular-resolved light scattering

DEFF Research Database (Denmark)

Buckley, Brandon W.; Akbari, Najva; Diebold, Eric D.

2015-01-01

The sensitive, specific, and label-free classification of microscopic cells and organisms is one of the outstanding problems in biology. Today, instruments such as the flow cytometer use a combination of light scatter measurements at two distinct angles to infer the size and internal complexity...... of cells at rates of more than 10,000 per second. However, by examining the entire angular light scattering spectrum it is possible to classify cells with higher resolution and specificity. Current approaches to performing these angular spectrum measurements all have significant throughput limitations...... Encoded Angular-resolved Light Scattering (REALS), this technique multiplexes angular light scattering in the radiofrequency domain, such that a single photodetector captures the entire scattering spectrum from a particle over approximately 100 discrete incident angles on a single shot basis. As a proof...

Ligands in PSI structures

International Nuclear Information System (INIS)

Kumar, Abhinav; Chiu, Hsiu-Ju; Axelrod, Herbert L.; Morse, Andrew; Elsliger, Marc-André; Wilson, Ian A.; Deacon, Ashley

2010-01-01

A survey of the types and frequency of ligands that are bound to PSI structures is analyzed as well as their utility in functional annotation of previously uncharacterized proteins. Approximately 65% of PSI structures report some type of ligand(s) that is bound in the crystal structure. Here, a description is given of how such ligands are handled and analyzed at the JCSG and a survey of the types, variety and frequency of ligands that are observed in the PSI structures is also compiled and analyzed, including illustrations of how these bound ligands have provided functional clues for annotation of proteins with little or no previous experimental characterization. Furthermore, a web server was developed as a tool to mine and analyze the PSI structures for bound ligands and other identifying features

Angular integrals in d dimensions.

OpenAIRE

Somogyi, G.

2011-01-01

We discuss the evaluation of certain d dimensional angular integrals which arise in perturbative field theory calculations. We find that the angular integral with n denominators can be computed in terms of a certain special function, the so-called H-function of several variables. We also present several illustrative examples of the general result and briefly consider some applications.

Angular integrals in d dimensions

International Nuclear Information System (INIS)

Somogyi, Gabor

2011-01-01

We discuss the evaluation of certain d-dimensional angular integrals which arise in perturbative field theory calculations. We find that the angular integral with n denominators can be computed in terms of a certain special function, the so-called H-function of several variables. We also present several illustrative examples of the general result and briefly consider some applications.

Angular integrals in d dimensions

Science.gov (United States)

Somogyi, Gábor

2011-08-01

We discuss the evaluation of certain d-dimensional angular integrals which arise in perturbative field theory calculations. We find that the angular integral with n denominators can be computed in terms of a certain special function, the so-called H-function of several variables. We also present several illustrative examples of the general result and briefly consider some applications.

Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.

Science.gov (United States)

Deeth, Robert J; Halcrow, Malcolm A; Kershaw Cook, Laurence J; Raithby, Paul R

2018-04-06

A ligand field molecular mechanics (LFMM) force field has been constructed for the spin states of [Fe(bpp) 2 ] 2+ (bpp=2,6-di(pyrazol-1-yl)pyridine) and related complexes. A new charge scheme is employed which interpolates between partial charges for neutral bpp and protonated [H 3 bpp] 3+ to achieve a target metal charge. The LFMM angular overlap model (AOM) parameters are fitted to fully ab initio d orbital energies. However, several AOM parameter sets are possible. The ambiguity is resolved by calculating the Jahn-Teller distortion mode for high spin, which indicates that in [Fe(bpp) 2 ] 2+ pyridine is a π-acceptor and pyrazole a weak π-donor. The alternative fit, assumed previously, where both ligands act as π-donors leads to an inconsistent distortion. LFMM optimisations in the presence of [BF 4 ] - or [PF 6 ] - anions are in good agreement with experiment and the model also correctly predicts the spin state energetics for 3-pyrazolyl substituents where the interactions are mainly steric. However, for 4-pyridyl or 4-pyrazolyl substituents, LFMM only treats the electrostatic contribution which, for the pyridyl substituents, generates a fair correlation with the spin crossover transition temperatures, T 1/2 , but in the reverse sense to the dominant electronic effect. Thus, LFMM generates its smallest spin state energy difference for the substituent with the highest T 1/2 . One parameter set for all substituted bpp ligands is insufficient and further LFMM development will be required. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Angular momentum projected semiclassics

International Nuclear Information System (INIS)

Hasse, R.W.

1986-10-01

By using angular momentum projected plane waves as wave functions, we derive semiclassical expressions for the single-particle propagator, the partition function, the nonlocal density matrix, the single-particle density and the one particle- one hole level density for fixed angular momentum and fixed z-component or summed over the z-components. Other quantities can be deduced from the propagator. In coordinate space (r, r') the relevant quantities depend on vertical stroker - r 3 vertical stroke instead of vertical stroker - r'vertical stroke and in Wigner space (R, P) they become proportional to the angular momentum constraints δ(vertical strokeRxPvertical stroke/ℎ - l) and δ((RxP) z /ℎ - m). As applications we calculate the single-particle and one particle- one hole level densities for harmonic oscillator and Hill-Wheeler box potentials and the imaginary part of the optical potential and its volume integral with an underlying harmonic oscillator potential and a zero range two-body interaction. (orig.)

Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

Directory of Open Access Journals (Sweden)

Tino Wolter

Full Text Available Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs. We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching.

Angular integrals in d dimensions

Energy Technology Data Exchange (ETDEWEB)

Somogyi, Gabor

2011-01-15

We discuss the evaluation of certain d dimensional angular integrals which arise in perturbative field theory calculations. We find that the angular integral with n denominators can be computed in terms of a certain special function, the so-called H-function of several variables. We also present several illustrative examples of the general result and briefly consider some applications. (orig.)

Angular integrals in d dimensions

International Nuclear Information System (INIS)

Somogyi, Gabor

2011-01-01

We discuss the evaluation of certain d dimensional angular integrals which arise in perturbative field theory calculations. We find that the angular integral with n denominators can be computed in terms of a certain special function, the so-called H-function of several variables. We also present several illustrative examples of the general result and briefly consider some applications. (orig.)

Is the bipyridyl thorium metallocene a low-valent thorium complex? A combined experimental and computational study

Energy Technology Data Exchange (ETDEWEB)

Ren, Wenshan; Lukens, Wayne W.; Zi, Guofu; Maron, Laurent; Walter, Marc D.

2012-01-12

Bipyridyl thorium metallocenes [5-1,2,4-(Me3C)3C5H2]2Th(bipy) (1) and [5-1,3-(Me3C)2C5H3]2Th(bipy) (2) have been investigated by magnetic susceptibility and computational studies. The magnetic susceptibility data reveal that 1 and 2 are not diamagnetic, but they behave as temperature independent paramagnets (TIPs). To rationalize this observation, density functional theory (DFT) and complete active space SCF (CASSCF) calculations have been undertaken, which indicated that Cp2Th(bipy) has indeed a Th(IV)(bipy2-) ground state (f0d0 2, S = 0), but the open-shell singlet (f0d1 1, S = 0) (almost degenerate with its triplet congener) is lying only 9.2 kcal/mol higher in energy. Complexes 1 and 2 react cleanly with Ph2CS to give [ 5-1,2,4-(Me3C)3C5H2]2Th[(bipy)(SCPh2)] (3) and [ 5-1,3-(Me3C)2C5H3]2Th[(bipy)(SCPh2)] (4), respectively, in quantitative conversions. Since no intermediates were observed experimentally, this reaction was also studied computationally. Coordination of Ph2CS to 2 in its S = 0 ground state is not possible, but Ph2CS can coordinate to 2 in its triplet state (S = 1) upon which a single electron transfer (SET) from the (bipy2-) fragment to Ph2CS followed by C-C coupling takes place.

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction.

Directory of Open Access Journals (Sweden)

Stéphanie Pérot

Full Text Available Pockets are today at the cornerstones of modern drug discovery projects and at the crossroad of several research fields, from structural biology to mathematical modeling. Being able to predict if a small molecule could bind to one or more protein targets or if a protein could bind to some given ligands is very useful for drug discovery endeavors, anticipation of binding to off- and anti-targets. To date, several studies explore such questions from chemogenomic approach to reverse docking methods. Most of these studies have been performed either from the viewpoint of ligands or targets. However it seems valuable to use information from both ligands and target binding pockets. Hence, we present a multivariate approach relating ligand properties with protein pocket properties from the analysis of known ligand-protein interactions. We explored and optimized the pocket-ligand pair space by combining pocket and ligand descriptors using Principal Component Analysis and developed a classification engine on this paired space, revealing five main clusters of pocket-ligand pairs sharing specific and similar structural or physico-chemical properties. These pocket-ligand pair clusters highlight correspondences between pocket and ligand topological and physico-chemical properties and capture relevant information with respect to protein-ligand interactions. Based on these pocket-ligand correspondences, a protocol of prediction of clusters sharing similarity in terms of recognition characteristics is developed for a given pocket-ligand complex and gives high performances. It is then extended to cluster prediction for a given pocket in order to acquire knowledge about its expected ligand profile or to cluster prediction for a given ligand in order to acquire knowledge about its expected pocket profile. This prediction approach shows promising results and could contribute to predict some ligand properties critical for binding to a given pocket, and conversely

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction.

Science.gov (United States)

Pérot, Stéphanie; Regad, Leslie; Reynès, Christelle; Spérandio, Olivier; Miteva, Maria A; Villoutreix, Bruno O; Camproux, Anne-Claude

2013-01-01

Pockets are today at the cornerstones of modern drug discovery projects and at the crossroad of several research fields, from structural biology to mathematical modeling. Being able to predict if a small molecule could bind to one or more protein targets or if a protein could bind to some given ligands is very useful for drug discovery endeavors, anticipation of binding to off- and anti-targets. To date, several studies explore such questions from chemogenomic approach to reverse docking methods. Most of these studies have been performed either from the viewpoint of ligands or targets. However it seems valuable to use information from both ligands and target binding pockets. Hence, we present a multivariate approach relating ligand properties with protein pocket properties from the analysis of known ligand-protein interactions. We explored and optimized the pocket-ligand pair space by combining pocket and ligand descriptors using Principal Component Analysis and developed a classification engine on this paired space, revealing five main clusters of pocket-ligand pairs sharing specific and similar structural or physico-chemical properties. These pocket-ligand pair clusters highlight correspondences between pocket and ligand topological and physico-chemical properties and capture relevant information with respect to protein-ligand interactions. Based on these pocket-ligand correspondences, a protocol of prediction of clusters sharing similarity in terms of recognition characteristics is developed for a given pocket-ligand complex and gives high performances. It is then extended to cluster prediction for a given pocket in order to acquire knowledge about its expected ligand profile or to cluster prediction for a given ligand in order to acquire knowledge about its expected pocket profile. This prediction approach shows promising results and could contribute to predict some ligand properties critical for binding to a given pocket, and conversely, some key pocket

Role of ligand-ligand vs. core-core interactions in gold nanoclusters.

Science.gov (United States)

Milowska, Karolina Z; Stolarczyk, Jacek K

2016-05-14

The controlled assembly of ligand-coated gold nanoclusters (NCs) into larger structures paves the way for new applications ranging from electronics to nanomedicine. Here, we demonstrate through rigorous density functional theory (DFT) calculations employing novel functionals accounting for van der Waals forces that the ligand-ligand interactions determine whether stable assemblies can be formed. The study of NCs with different core sizes, symmetry forms, ligand lengths, mutual crystal orientations, and in the presence of a solvent suggests that core-to-core van der Waals interactions play a lesser role in the assembly. The dominant interactions originate from combination of steric effects, augmented by ligand bundling on NC facets, and related to them changes in electronic properties induced by neighbouring NCs. We also show that, in contrast to standard colloidal theory approach, DFT correctly reproduces the surprising experimental trends in the strength of the inter-particle interaction observed when varying the length of the ligands. The results underpin the importance of understanding NC interactions in designing gold NCs for a specific function.

Angular distribution of oriented nucleus fission neutrons

International Nuclear Information System (INIS)

Barabanov, A.L.; Grechukhin, D.P.

1982-01-01

Calculations of anisotropy of angular distribution of oriented 235 U nuclei thermal fission neutrons have been carried out. the neutrons were assumed to evaporate isotropically by completely accelerated fragements in the fragment system with only its small part, i. e. fission-producing neutrons, emitted at the moment of neck break. It has been found out that at low energies of neutrons Esub(n)=1-2 MeV the sensitivity of the angular distribution anisotropy to variations of spectrum of neutron evaporation from fragments and the magnitude of a share of fission-producing neutrons reaches approximately 100%, which at high energies, Esub(n) > 5 MeV it does not exceed approximately 20%. Therefore the angular distribution of fast neutrons to a greater degree of confidence may be used for restoring the angular distribution anisotropy of fragments while the angular distribution of low energy neutrons may be used for deriving information on the fission process, but only in case 6f the experiment accuracy is better than approximately 3%

The influence of ligand field effects on the magnetic exchange of high-spin Co(II)-semiquinonate complexes.

Science.gov (United States)

Bencini, Alessandro; Beni, Alessandra; Costantino, Ferdinando; Dei, Andrea; Gatteschi, Dante; Sorace, Lorenzo

2006-02-07

[Co(Me(4)cyclam)(tropolonate)](PF(6)) was synthesised and structurally characterised. Its electronic and W-band EPR spectra have been analysed by means of the angular overlap calculation of the Spin Hamiltonian parameters that provided also a satisfactory reproduction of the temperature dependence of the magnetic susceptibility. The present results can be interpreted assuming a pseudo-octahedral character for the Co(II) center. This prompted us to reconsider the model formerly used for the analysis of the magnetic coupling between hs-Co(II) and the paramagnetic o-semiquinonate ligand in the corresponding derivatives [Co(Me(4)cyclam)(PhenSQ)](PF(6)) and [Co(Me(4)cyclam)(DTBSQ)](PF(6)). These results indicate that the effect of the magnetic coupling is active only below 50 K and that a more refined model of exchange coupling between Co(II) and semiquinonato ligands is needed to quantitatively analyze the magnetic behaviour of this class of systems.

Responsive web design with AngularJS

CERN Document Server

Patel, Sandeep Kumar

2014-01-01

If you are an AngularJS developer who wants to learn about responsive web application development, this book is ideal for you. Responsive Web Design with AngularJS is intended for web developers or designers with a basic knowledge of HTML, CSS, and JavaScript.

Whole-body angular momentum during stair ascent and descent.

Science.gov (United States)

Silverman, Anne K; Neptune, Richard R; Sinitski, Emily H; Wilken, Jason M

2014-04-01

The generation of whole-body angular momentum is essential in many locomotor tasks and must be regulated in order to maintain dynamic balance. However, angular momentum has not been investigated during stair walking, which is an activity that presents a biomechanical challenge for balance-impaired populations. We investigated three-dimensional whole-body angular momentum during stair ascent and descent and compared it to level walking. Three-dimensional body-segment kinematic and ground reaction force (GRF) data were collected from 30 healthy subjects. Angular momentum was calculated using a 13-segment whole-body model. GRFs, external moment arms and net joint moments were used to interpret the angular momentum results. The range of frontal plane angular momentum was greater for stair ascent relative to level walking. In the transverse and sagittal planes, the range of angular momentum was smaller in stair ascent and descent relative to level walking. Significant differences were also found in the ground reaction forces, external moment arms and net joint moments. The sagittal plane angular momentum results suggest that individuals alter angular momentum to effectively counteract potential trips during stair ascent, and reduce the range of angular momentum to avoid falling forward during stair descent. Further, significant differences in joint moments suggest potential neuromuscular mechanisms that account for the differences in angular momentum between walking conditions. These results provide a baseline for comparison to impaired populations that have difficulty maintaining dynamic balance, particularly during stair ascent and descent. Copyright © 2014 Elsevier B.V. All rights reserved.

ANGULAR MOMENTUM ACQUISITION IN GALAXY HALOS

International Nuclear Information System (INIS)

Stewart, Kyle R.; Brooks, Alyson M.; Bullock, James S.; Maller, Ariyeh H.; Diemand, Jürg; Wadsley, James; Moustakas, Leonidas A.

2013-01-01

We use high-resolution cosmological hydrodynamic simulations to study the angular momentum acquisition of gaseous halos around Milky-Way-sized galaxies. We find that cold mode accreted gas enters a galaxy halo with ∼70% more specific angular momentum than dark matter averaged over cosmic time (though with a very large dispersion). In fact, we find that all matter has a higher spin parameter when measured at accretion than when averaged over the entire halo lifetime, and is well characterized by λ ∼ 0.1, at accretion. Combined with the fact that cold flow gas spends a relatively short time (1-2 dynamical times) in the halo before sinking to the center, this naturally explains why cold flow halo gas has a specific angular momentum much higher than that of the halo and often forms ''cold flow disks.'' We demonstrate that the higher angular momentum of cold flow gas is related to the fact that it tends to be accreted along filaments.

Orbital angular momentum exchange in post-collision interaction

International Nuclear Information System (INIS)

van der Burgt, P.J.M.; van Eck, J.; Heideman, H.G.M.

1985-01-01

The authors study the exchange of orbital angular mementum between the scattered and the ejected electron. The angular distribution of electrons ejected by the He (2s 2 ) 2 S autoionizing state after its excitation via the He (2s2p 2 ) 2 D resonance is measured. Taking into accout interference with electrons from the direct ionization of helium, the authors are able to show that the measured anisotropic angular distribution is the result of an orbital angular momentum exchange during the post-collision interaction

LigandRFs: random forest ensemble to identify ligand-binding residues from sequence information alone

KAUST Repository

Chen, Peng

2014-12-03

Background Protein-ligand binding is important for some proteins to perform their functions. Protein-ligand binding sites are the residues of proteins that physically bind to ligands. Despite of the recent advances in computational prediction for protein-ligand binding sites, the state-of-the-art methods search for similar, known structures of the query and predict the binding sites based on the solved structures. However, such structural information is not commonly available. Results In this paper, we propose a sequence-based approach to identify protein-ligand binding residues. We propose a combination technique to reduce the effects of different sliding residue windows in the process of encoding input feature vectors. Moreover, due to the highly imbalanced samples between the ligand-binding sites and non ligand-binding sites, we construct several balanced data sets, for each of which a random forest (RF)-based classifier is trained. The ensemble of these RF classifiers forms a sequence-based protein-ligand binding site predictor. Conclusions Experimental results on CASP9 and CASP8 data sets demonstrate that our method compares favorably with the state-of-the-art protein-ligand binding site prediction methods.

Rabi like angular splitting in Surface Plasmon Polariton - Exciton interaction in ATR configuration

Science.gov (United States)

Hassan, Heba; Abdallah, T.; Negm, S.; Talaat, H.

2018-05-01

We have studied the coupling of propagating Surface Plasmon Polaritons (SPP) on silver films and excitons in CdS quantum dots (QDs). We employed the Kretschmann-Raether configuration of the attenuated total reflection (ATR) to propagate the SPP on silver film of thickness 47.5 nm at three different wavelengths. The CdS QD have been chemically synthesized with particular size such that its exciton of energy would resonate with SPP. High resolution transmission electron microscopy (HRTEM) and scan tunneling microscopy (STM) were used to measure the corresponding QDs size and confirm its shape. Further confirmation of the size has been performed by the effective mass approximation (EMA) model utilizing the band gap of the prepared QDs. The band gaps have been measured through UV-vis absorption spectra as well as scan tunneling spectroscopy (STS). The coupling has been observed as two branching dips in the ATR spectra indicating Rabi like splitting. To the best of our knowledge, this is the first time that Rabi interaction is directly observed in an ATR angular spectra. This observation is attributed to the use a high resolution angular scan (±0.005°), in addition to the Doppler width of the laser line as well as the energy distribution of the excitons. The effect of three different linker molecules (TOPO, HDA), (Pyridine) and (Tri-butylamine) as surface ligands, on SPP-Exciton interaction has been examined.

Angular Momentum

Science.gov (United States)

Shakur, Asif; Sinatra, Taylor

2013-01-01

The gyroscope in a smartphone was employed in a physics laboratory setting to verify the conservation of angular momentum and the nonconservation of rotational kinetic energy. As is well-known, smartphones are ubiquitous on college campuses. These devices have a panoply of built-in sensors. This creates a unique opportunity for a new paradigm in…

Angular distributions in quasi-fission reactions

International Nuclear Information System (INIS)

Luetzenkirchen, K.; Kratz, J.V.; Lucas, R.; Poitou, J.; Gregoire, C.; Wirth, G.; Bruechle, W.; Suemmerer, K.

1985-10-01

Angular distributions for fission-like fragments were measured in the systems 50 Ti, 56 Fe + 208 Pb by applying an off-line KX-ray activation technique. The distributions d 2 sigma/dTHETAdZ exhibit forward-backward asymmetries that are strongly Z-dependent. They result from a process (quasi-fission) which yields nearly symmetric masses in times comparable to the rotational period of the composite system. A method for obtaining the variance of the tilting angular momentum, K 0 2 , from these skewed, differential angular distributions is described. The results indicate that the tilting mode is not fully excited in quasi-fission reactions. The results are compared to the sum of the variances of all statistical spin components, measured via γ-multiplicities. Integration of the angular distributions d 2 sigma/dTHETAdZ over all values of Z yields integral angular distributions dsigma/dTHETA and dsigma/dΩ symmetric around 90 0 . The associated unusually large anisotropies do not at all provide an adequate basis for tests or modifications of the transition state theory. A deconvolution of d 2 sigma/dTHETAdZ is performed with gaussian distributions depending on rotational angles ΔTHETA extending over a range of up to 540 0 . From the mean values a time scale for the evolution of K 0 is calculated. (orig.)

Photon beam polarization and non-dipolar angular distributions

International Nuclear Information System (INIS)

Peshkin, M.

1996-01-01

Angular distributions of ejecta from unoriented atoms and molecules depend upon the polarization state of the incident x-rays as well as upon the dynamics of the physical systems being studied. I recommend a simple geometrical way of looking at the polarization and its effects upon angular distributions. The polarization is represented as a vector in a parameter space that faithfully represents the polarization of the beam. The simple dependence of the angular dependence of the angular distributions on the polarization vector enables easy extraction of the dynamical information contained in those angular distributions. No new physical results emerge from this geometrical approach, but known consequences of the symmetries appear in an easily visualized form that I find pleasing and that has proved to be useful for planning experiments and for analyzing data

Beam Angular Divergence Effects in Ion Implantation

International Nuclear Information System (INIS)

Horsky, T. N.; Hahto, S. K.; Bilbrough, D. G.; Jacobson, D. C.; Krull, W. A.; Goldberg, R. D.; Current, M. I.; Hamamoto, N.; Umisedo, S.

2008-01-01

An important difference between monomer ion beams and heavy molecular beams is a significant reduction in beam angular divergence and increased on-wafer angular accuracy for molecular beams. This advantage in beam quality stems from a reduction in space-charge effects within the beam. Such improved angular accuracy has been shown to have a significant impact on the quality and yield of transistor devices [1,12]. In this study, B 18 H x + beam current and angular divergence data collected on a hybrid scanned beam line that magnetically scans the beam across the wafer is presented. Angular divergence is kept below 0.5 deg from an effective boron energy of 200 eV to 3000 eV. Under these conditions, the beam current is shown analytically to be limited by space charge below about 1 keV, but by the matching of the beam emittance to the acceptance of the beam line above 1 keV. In addition, results of a beam transport model which includes variable space charge compensation are presented, in which a drift mode B 18 H x + beam is compared to an otherwise identical boron beam after deceleration. Deceleration is shown to introduce significant space-charge blow up resulting in a large on-wafer angular divergence. The divergence effects introduced by wafer charging are also discussed.

Crystallization of protein–ligand complexes

International Nuclear Information System (INIS)

Hassell, Anne M.; An, Gang; Bledsoe, Randy K.; Bynum, Jane M.; Carter, H. Luke III; Deng, Su-Jun J.; Gampe, Robert T.; Grisard, Tamara E.; Madauss, Kevin P.; Nolte, Robert T.; Rocque, Warren J.; Wang, Liping; Weaver, Kurt L.; Williams, Shawn P.; Wisely, G. Bruce; Xu, Robert; Shewchuk, Lisa M.

2007-01-01

Methods presented for growing protein–ligand complexes fall into the categories of co-expression of the protein with the ligands of interest, use of the ligands during protein purification, cocrystallization and soaking the ligands into existing crystals. Obtaining diffraction-quality crystals has long been a bottleneck in solving the three-dimensional structures of proteins. Often proteins may be stabilized when they are complexed with a substrate, nucleic acid, cofactor or small molecule. These ligands, on the other hand, have the potential to induce significant conformational changes to the protein and ab initio screening may be required to find a new crystal form. This paper presents an overview of strategies in the following areas for obtaining crystals of protein–ligand complexes: (i) co-expression of the protein with the ligands of interest, (ii) use of the ligands during protein purification, (iii) cocrystallization and (iv) soaks

Ghost Imaging Using Orbital Angular Momentum

Institute of Scientific and Technical Information of China (English)

赵生妹; 丁建; 董小亮; 郑宝玉

2011-01-01

We present a novel encoding scheme in a ghost-imaging system using orbital angular momentum. In the signal arm, object spatial information is encoded as a phase matrix. For an N-grey-scale object, different phase matrices, varying from 0 to K with increment n/N, are used for different greyscales, and then they are modulated to a signal beam by a spatial light modulator. According to the conservation of the orbital angular momentum in the ghost imaging system, these changes will give different coincidence rates in measurement, and hence the object information can be extracted in the idler arm. By simulations and experiments, the results show that our scheme can improve the resolution of the image effectively. Compared with another encoding method using orbital angular momentum, our scheme has a better performance for both characters and the image object.%We present a novel encoding scheme in a ghost-imaging system using orbital angular momentum.In the signal arm,object spatial information is encoded as a phase matrix.For an N-grey-scale object,different phase matrices,varying from 0 to π with increment π/N,are used for different greyscales,and then they are modulated to a signal beam by a spatial light modulator.According to the conservation of the orbital angular momentum in the ghost imaging system,these changes will give different coincidence rates in measurement,and hence the object information can be extracted in the idler arm.By simulations and experiments,the results show that our scheme can improve the resolution of the image effectively.Compared with another encoding method using orbital angular momentum,our scheme has a better performance for both characters and the image object.

Angular momentum in general relativity

International Nuclear Information System (INIS)

Prior, C.R.

1977-01-01

The definition of angular momentum proposed in part I of this series (Prior. Proc. R. Soc. Lond.; A354:379 (1977)) is investigated when applied to rotating black holes. It is shown how to use the formula to evaluate the angular momentum of a stationary black hole. This acts as a description of a background space on which the effect of first matter and then gravitational perturbations is considered. The latter are of most interest and the rate of change of angular momentum, dJ/dt, is found as an expression in the shear induced in the event horizon by the perturbation and in its time integral. Teukolsky's solutions (Astrophys. J.; 185:635 (1973)) for the perturbed component of the Weyl tensor are then used to find this shear and hence to give an exact answer for dJ/dt. One of the implications of the result is a direct verification of Bekenstein's formula (Phys. Rev.; 7D:949 (1973)) relating in a simple way the rate of change of angular momentum to the rate of change of mass caused by a plane wave. A more general expression is also given for dM/dt. Considering only stationary perturbations, it is shown how to generalize the definition of angular momentum so as to include information about its direction as well. Three problems are particularly discussed - a single moon, two or more moons and a ring of matter causing the perturbation - since they provide illustrations of all the main features of the black hole's behaviour. In every case it is found that the black hole realigns its axis of rotation so that the final configuration is axisymmetric if possible; otherwise is slows down completely to reach a static state. (author)

Electrochemiluminescent determination of nicotine based on tri(2,2'-bipyridyl) ruthenium (II) complex through flow injection analysis

International Nuclear Information System (INIS)

Lin Mengshan; Wang Junsheng; Lai Chienhung

2008-01-01

This paper describes the electrogenerated chemiluminescence (ECL) processes of Ru(bpy) 3 2+ /nicotine system at ITO working electrode. An ECL-based method for rapid and sensitive detection of nicotine in phosphate buffer solution at pH 8.0 is established. Strong ECL emission was observed at a positive potential of 1.4 V vs. Ag/AgCl. A possible ECL mechanism is proposed for the Ru(bpy) 3 2+ /nicotine system, the oxidation product of nicotine at the electrode surface reacts with the 3+ state of ruthenium bipyridyl (2+) complex and form ruthenium complex exited state ions and thus releases photons. Effect of pH (medium/electrolyte), working potential, buffer composition, buffer concentration, reactant and co-reactant (nicotine) concentration, flow rate and loop size on the ECL spectrum of the Ru(bpy) 3 2+ /nicotine were studied. At the optimized experimental conditions, lower detection limit for nicotine was observed as 1.2 nmol L -1 (S/N = 3). Linear relationship between ECL current and concentration of nicotine was observed (up to 100 μmol L -1 ) with R-value of 0.997. The relative standard deviation with 5 μmol L -1 concentration of nicotine for 20 analyses was only 1.4%. A 94% recovery rate was observed in a real sample analysis without any complications/disturbance in measurement. Interferences of humid acid, camphor and SDS were not observed in their presence in the sample solution. The established procedure for nicotine quantification manifests fascinating results and can be suggested for further applications

Jet angularity measurements for single inclusive jet production

Science.gov (United States)

Kang, Zhong-Bo; Lee, Kyle; Ringer, Felix

2018-04-01

We study jet angularity measurements for single-inclusive jet production at the LHC. Jet angularities depend on a continuous parameter a allowing for a smooth interpolation between different traditional jet shape observables. We establish a factorization theorem within Soft Collinear Effective Theory (SCET) where we consistently take into account in- and out-of-jet radiation by making use of semi-inclusive jet functions. For comparison, we elaborate on the differences to jet angularities measured on an exclusive jet sample. All the necessary ingredients for the resummation at next-to-leading logarithmic (NLL) accuracy are presented within the effective field theory framework. We expect semiinclusive jet angularity measurements to be feasible at the LHC and we present theoretical predictions for the relevant kinematic range. In addition, we investigate the potential impact of jet angularities for quark-gluon discrimination.

Studies of metal binding by the iron transport protein transferrin using time differential perturbed angular correlation spectroscopy

International Nuclear Information System (INIS)

Then, G.M.

1987-01-01

The binding of the transition metal hafnium to transferrin was studied under various chemical conditions using time differential perturbed γγ angular correlation spectroscopy (TDPAC). Observing the electric quadrupole interaction of the 181 Hf probe nuclei size and symmetry of the electric field gradient induced by the ligands of the metal ions can be determined. The experimental data suggest how homogeneous the binding conditions are and to which extend relaxation phenomena are involved. Due to the excellent time resolution obtained with new BaF 2 detectors the quadrupole coupling parameters of 181 Hf-transferrin could be determined very accurately. Under nearly physiological conditions different binding configurations were quantitatively characterized by spectroscopic means and distinguished with high specificity. (orig./PW) [de

Strong Ligand-Protein Interactions Derived from Diffuse Ligand Interactions with Loose Binding Sites.

Science.gov (United States)

Marsh, Lorraine

2015-01-01

Many systems in biology rely on binding of ligands to target proteins in a single high-affinity conformation with a favorable ΔG. Alternatively, interactions of ligands with protein regions that allow diffuse binding, distributed over multiple sites and conformations, can exhibit favorable ΔG because of their higher entropy. Diffuse binding may be biologically important for multidrug transporters and carrier proteins. A fine-grained computational method for numerical integration of total binding ΔG arising from diffuse regional interaction of a ligand in multiple conformations using a Markov Chain Monte Carlo (MCMC) approach is presented. This method yields a metric that quantifies the influence on overall ligand affinity of ligand binding to multiple, distinct sites within a protein binding region. This metric is essentially a measure of dispersion in equilibrium ligand binding and depends on both the number of potential sites of interaction and the distribution of their individual predicted affinities. Analysis of test cases indicates that, for some ligand/protein pairs involving transporters and carrier proteins, diffuse binding contributes greatly to total affinity, whereas in other cases the influence is modest. This approach may be useful for studying situations where "nonspecific" interactions contribute to biological function.

Transverse angular momentum in topological photonic crystals

Science.gov (United States)

Deng, Wei-Min; Chen, Xiao-Dong; Zhao, Fu-Li; Dong, Jian-Wen

2018-01-01

Engineering local angular momentum of structured light fields in real space enables applications in many fields, in particular, the realization of unidirectional robust transport in topological photonic crystals with a non-trivial Berry vortex in momentum space. Here, we show transverse angular momentum modes in silicon topological photonic crystals when considering transverse electric polarization. Excited by a chiral external source with either transverse spin angular momentum or transverse phase vortex, robust light flow propagating along opposite directions is observed in several kinds of sharp-turn interfaces between two topologically-distinct silicon photonic crystals. A transverse orbital angular momentum mode with alternating phase vortex exists at the boundary of two such photonic crystals. In addition, unidirectional transport is robust to the working frequency even when the ring size or location of the pseudo-spin source varies in a certain range, leading to the superiority of the broadband photonic device. These findings enable one to make use of transverse angular momentum, a kind of degree of freedom, to achieve unidirectional robust transport in the telecom region and other potential applications in integrated photonic circuits, such as on-chip robust delay lines.

LigandRFs: random forest ensemble to identify ligand-binding residues from sequence information alone

KAUST Repository

Chen, Peng; Huang, Jianhua Z; Gao, Xin

2014-01-01

Protein-ligand binding is important for some proteins to perform their functions. Protein-ligand binding sites are the residues of proteins that physically bind to ligands. Despite of the recent advances in computational prediction

Staggering of angular momentum distribution in fission

Science.gov (United States)

Tamagno, Pierre; Litaize, Olivier

2018-03-01

We review here the role of angular momentum distributions in the fission process. To do so the algorithm implemented in the FIFRELIN code [?] is detailed with special emphasis on the place of fission fragment angular momenta. The usual Rayleigh distribution used for angular momentum distribution is presented and the related model derivation is recalled. Arguments are given to justify why this distribution should not hold for low excitation energy of the fission fragments. An alternative ad hoc expression taking into account low-lying collectiveness is presented as has been implemented in the FIFRELIN code. Yet on observables currently provided by the code, no dramatic impact has been found. To quantify the magnitude of the impact of the low-lying staggering in the angular momentum distribution, a textbook case is considered for the decay of the 144Ba nucleus with low excitation energy.

Exposing Library Services with AngularJS

OpenAIRE

Jakob Voß; Moritz Horn

2014-01-01

This article provides an introduction to the JavaScript framework AngularJS and specific AngularJS modules for accessing library services. It shows how information such as search suggestions, additional links, and availability can be embedded in any website. The ease of reuse may encourage more libraries to expose their services via standard APIs to allow usage in different contexts.

Experimental determination of high angular momentum states

International Nuclear Information System (INIS)

Barreto, J.L.V.

1985-01-01

The current knowledge of the atomic nucleus structure is summarized. A short abstract of the nuclear properties at high angular momentum and a more detailed description of the experimental methods used in the study of high angular momenta is made. (L.C.) [pt

Accelerated rotation with orbital angular momentum modes

CSIR Research Space (South Africa)

Schulze, C

2015-04-01

Full Text Available . As the angular acceleration takes place in a bounded space, the azimuthal degree of freedom, such fields accelerate periodically as they propagate. Notably, the amount of angular acceleration is not limited by paraxial considerations, may be tailored for large...

A new class of PN3-pincer ligands for metal–ligand cooperative catalysis

KAUST Repository

Li, Huaifeng

2014-12-01

Work on a new class of PN3-pincer ligands for metal-ligand cooperative catalysis is reviewed. While the field of the pyridine-based PN3-transition metal pincer complexes is still relatively young, many important applications of these complexes have already emerged. In several cases, the PN3-pincer complexes for metal-ligand cooperative catalysis result in significantly improved or unprecedented activities. The synthesis and coordination chemistry of PN3-pincer ligands are briefly summarized first to cover the synthetic routes for their preparation, followed by a focus review on their applications in catalysis. A specific emphasis is placed on the later section about the role of PN3-pincer ligands\\' dearomatization-rearomatization steps during the catalytic cycles. The mechanistic insights from density functional theory (DFT) calculations are also discussed.

A new class of PN3-pincer ligands for metal–ligand cooperative catalysis

KAUST Repository

Li, Huaifeng; Zheng, Bin; Huang, Kuo-Wei

2014-01-01

Work on a new class of PN3-pincer ligands for metal-ligand cooperative catalysis is reviewed. While the field of the pyridine-based PN3-transition metal pincer complexes is still relatively young, many important applications of these complexes have already emerged. In several cases, the PN3-pincer complexes for metal-ligand cooperative catalysis result in significantly improved or unprecedented activities. The synthesis and coordination chemistry of PN3-pincer ligands are briefly summarized first to cover the synthetic routes for their preparation, followed by a focus review on their applications in catalysis. A specific emphasis is placed on the later section about the role of PN3-pincer ligands' dearomatization-rearomatization steps during the catalytic cycles. The mechanistic insights from density functional theory (DFT) calculations are also discussed.

Staggering of angular momentum distribution in fission

Directory of Open Access Journals (Sweden)

Tamagno Pierre

2018-01-01

Full Text Available We review here the role of angular momentum distributions in the fission process. To do so the algorithm implemented in the FIFRELIN code [?] is detailed with special emphasis on the place of fission fragment angular momenta. The usual Rayleigh distribution used for angular momentum distribution is presented and the related model derivation is recalled. Arguments are given to justify why this distribution should not hold for low excitation energy of the fission fragments. An alternative ad hoc expression taking into account low-lying collectiveness is presented as has been implemented in the FIFRELIN code. Yet on observables currently provided by the code, no dramatic impact has been found. To quantify the magnitude of the impact of the low-lying staggering in the angular momentum distribution, a textbook case is considered for the decay of the 144Ba nucleus with low excitation energy.

Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand

Science.gov (United States)

Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven

2011-07-01

Bioinspired hydrogenation of N2 to ammonia at ambient conditions by stepwise nitrogen protonation/reduction with metal complexes in solution has experienced remarkable progress. In contrast, the highly desirable direct hydrogenation with H2 remains difficult. In analogy to the heterogeneously catalysed Haber-Bosch process, such a reaction is conceivable via metal-centred N2 splitting and unprecedented hydrogenolysis of the nitrido ligands to ammonia. We report the synthesis of a ruthenium(IV) nitrido complex. The high nucleophilicity of the nitrido ligand is demonstrated by unusual N-C coupling with π-acidic CO. Furthermore, the terminal nitrido ligand undergoes facile hydrogenolysis with H2 at ambient conditions to produce ammonia in high yield. Kinetic and quantum chemical examinations of this reaction suggest cooperative behaviour of a phosphorus-nitrogen-phosphorus pincer ligand in rate-determining heterolytic hydrogen splitting.

Reduction of dinitrogen ligands

International Nuclear Information System (INIS)

Richards, R.L.

1983-01-01

Processes of dinitrogen ligand reduction in complexes of transition metals are considered. The basic character of the dinitrogen ligand is underlined. Data on X-ray photoelectronic spectroscopy and intensities of bands ν (N 2 ) in IR-spectra of nitrogen complexes are given. The mechanism of protonation of an edge dinitrogen ligand is discussed. Model systems and mechanism of nitrogenogenase are compared

Angular distributions of sputtered particles from NiTi alloy

International Nuclear Information System (INIS)

Neshev, I.; Hamishkeev, V.; Chernysh, V.S.; Postnikov, S.; Mamaev, B.

1993-01-01

The angular distributions of sputtered Ni and Ti from a polycrystalline NiTi (50-50%) alloy are investigated by Auger electron spectroscopy and Rutherford backscattering spectroscopy. A difference in the angular distributions is observed with Ni being sputtered preferentially near the surface normal. A computer program for the calculation of the angular distributions of constituents sputtered from binary targets is created and used. The mechanisms responsible for the observed differences in the angular distributions are discussed. It is found that the collisional cascade theory is not directly applicable to the results of the constituents' angular distributions obtained in the presence of oxygen. The fitted coefficients of bombardment-induced segregation are found to be greater than the experimentally obtained ones. (author)

Angular distributions in pre-equilibrium reactions

International Nuclear Information System (INIS)

Chatterjee, A.; Gupta, S.K.; Bhabha Atomic Research Centre, Bombay

1982-10-01

A new model is proposed for calculating angular distributions in preequilibrium reactions. In this model, as in the model of Feshbach et al. the system consisting of target plus projectile initially branches into two sets of states with either no particle in the continuum (multistep compound states) or with at least one particle in the continuum (multistep direct states). The two chains of states are treated independently by solving two sets of master equations. The multistep compound emission is assumed to be isotropic while the angular distribution of the multistep direct emission is described using the fast particle model of Mantzouranis et al. The angular distributions for 14.6 MeV neutrons calculated using this model are found to be in better agreement with the data than the fast particle model. (author)

Smoothed dissipative particle dynamics with angular momentum conservation

Energy Technology Data Exchange (ETDEWEB)

Müller, Kathrin, E-mail: k.mueller@fz-juelich.de; Fedosov, Dmitry A., E-mail: d.fedosov@fz-juelich.de; Gompper, Gerhard, E-mail: g.gompper@fz-juelich.de

2015-01-15

Smoothed dissipative particle dynamics (SDPD) combines two popular mesoscopic techniques, the smoothed particle hydrodynamics and dissipative particle dynamics (DPD) methods, and can be considered as an improved dissipative particle dynamics approach. Despite several advantages of the SDPD method over the conventional DPD model, the original formulation of SDPD by Español and Revenga (2003) [9], lacks angular momentum conservation, leading to unphysical results for problems where the conservation of angular momentum is essential. To overcome this limitation, we extend the SDPD method by introducing a particle spin variable such that local and global angular momentum conservation is restored. The new SDPD formulation (SDPD+a) is directly derived from the Navier–Stokes equation for fluids with spin, while thermal fluctuations are incorporated similarly to the DPD method. We test the new SDPD method and demonstrate that it properly reproduces fluid transport coefficients. Also, SDPD with angular momentum conservation is validated using two problems: (i) the Taylor–Couette flow with two immiscible fluids and (ii) a tank-treading vesicle in shear flow with a viscosity contrast between inner and outer fluids. For both problems, the new SDPD method leads to simulation predictions in agreement with the corresponding analytical theories, while the original SDPD method fails to capture properly physical characteristics of the systems due to violation of angular momentum conservation. In conclusion, the extended SDPD method with angular momentum conservation provides a new approach to tackle fluid problems such as multiphase flows and vesicle/cell suspensions, where the conservation of angular momentum is essential.

Manifest rotation symmetric expressions for angular momentum eigenfunctions

International Nuclear Information System (INIS)

Eeg, J.O.; Wroldsen, J.

1983-01-01

Manifest rotation symmetric expressions for eigenfunctions for spin s, orbital angular momentum l and total angular momentum j = l+s, .... , /l-s/ in terms of (2j+1) x (2s+1) multipole transition matrices (MTM) is given. These matrices, which are irreducible tensor matrices, have an algebra together with ordinary spin matrices for spin s and spin j. Explicit expressions for MTM's and their algebra are given for angular momenta <-3. By means of some examples it is shown that within this formalism angular integrations in central field problems will be simplified considerably. Thus the formalism turns out to be very useful for instance for calculations within the MIT-bag and also within spin-spin interactions in atomic physics. (Auth.)

The angular momentum dependence of complex fragment emission

International Nuclear Information System (INIS)

Sobtka, L.G.; Sarantites, D.G.; Li, Z.

1987-01-01

Large fragment (A > 4) production at high angular momentum is studied via the reaction, 200 MeV 45 Sc + 65 Cu. Comparisons of the fragment yields from this reaction (high angular momentum) to those from 93 Nb + Be (low angular momentum) are used to verify the strong angular momentum dependence of large fragment production predicted by equilibrium models. Details of the coincident γ-ray distributions not only confirm a rigidly rotating intermediate but also indicate that the widths of the primary L-wave distributions decrease with increasing symmetry in the decay channel. These data are used to test the asymmetry and L-wave dependence of emission barriers calculated from a rotating, finite range corrected, liquid drop model. 21 refs., 10 figs

Concepts of radial and angular kinetic energies

DEFF Research Database (Denmark)

Dahl, Jens Peder; Schleich, W.P.

2002-01-01

We consider a general central-field system in D dimensions and show that the division of the kinetic energy into radial and angular parts proceeds differently in the wave-function picture and the Weyl-Wigner phase-space picture, Thus, the radial and angular kinetic energies are different quantities...

Ligand modeling and design

Energy Technology Data Exchange (ETDEWEB)

Hay, B.P. [Pacific Northwest National Lab., Richland, WA (United States)

1997-10-01

The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used in the cost-effective removal of specific radionuclides from nuclear waste streams. Organic ligands with metal ion specificity are critical components in the development of solvent extraction and ion exchange processes that are highly selective for targeted radionuclides. The traditional approach to the development of such ligands involves lengthy programs of organic synthesis and testing, which in the absence of reliable methods for screening compounds before synthesis, results in wasted research effort. The author`s approach breaks down and simplifies this costly process with the aid of computer-based molecular modeling techniques. Commercial software for organic molecular modeling is being configured to examine the interactions between organic ligands and metal ions, yielding an inexpensive, commercially or readily available computational tool that can be used to predict the structures and energies of ligand-metal complexes. Users will be able to correlate the large body of existing experimental data on structure, solution binding affinity, and metal ion selectivity to develop structural design criteria. These criteria will provide a basis for selecting ligands that can be implemented in separations technologies through collaboration with other DOE national laboratories and private industry. The initial focus will be to select ether-based ligands that can be applied to the recovery and concentration of the alkali and alkaline earth metal ions including cesium, strontium, and radium.

Ligand identification using electron-density map correlations

International Nuclear Information System (INIS)

Terwilliger, Thomas C.; Adams, Paul D.; Moriarty, Nigel W.; Cohn, Judith D.

2007-01-01

An automated ligand-fitting procedure is applied to (F o − F c )exp(iϕ c ) difference density for 200 commonly found ligands from macromolecular structures in the Protein Data Bank to identify ligands from density maps. A procedure for the identification of ligands bound in crystal structures of macromolecules is described. Two characteristics of the density corresponding to a ligand are used in the identification procedure. One is the correlation of the ligand density with each of a set of test ligands after optimization of the fit of that ligand to the density. The other is the correlation of a fingerprint of the density with the fingerprint of model density for each possible ligand. The fingerprints consist of an ordered list of correlations of each the test ligands with the density. The two characteristics are scored using a Z-score approach in which the correlations are normalized to the mean and standard deviation of correlations found for a variety of mismatched ligand-density pairs, so that the Z scores are related to the probability of observing a particular value of the correlation by chance. The procedure was tested with a set of 200 of the most commonly found ligands in the Protein Data Bank, collectively representing 57% of all ligands in the Protein Data Bank. Using a combination of these two characteristics of ligand density, ranked lists of ligand identifications were made for representative (F o − F c )exp(iϕ c ) difference density from entries in the Protein Data Bank. In 48% of the 200 cases, the correct ligand was at the top of the ranked list of ligands. This approach may be useful in identification of unknown ligands in new macromolecular structures as well as in the identification of which ligands in a mixture have bound to a macromolecule

Angular momentum conservation for uniformly expanding flows

International Nuclear Information System (INIS)

Hayward, Sean A

2007-01-01

Angular momentum has recently been defined as a surface integral involving an axial vector and a twist 1-form, which measures the twisting around the spacetime due to a rotating mass. The axial vector is chosen to be a transverse, divergence-free, coordinate vector, which is compatible with any initial choice of axis and integral curves. Then a conservation equation expresses the rate of the change of angular momentum along a uniformly expanding flow as a surface integral of angular momentum densities, with the same form as the standard equation for an axial Killing vector, apart from the inclusion of an effective energy tensor for gravitational radiation

Electrochemiluminescent determination of nicotine based on tri(2,2'-bipyridyl) ruthenium (II) complex through flow injection analysis

Energy Technology Data Exchange (ETDEWEB)

Lin Mengshan [Department of Chemistry, Tamkang University, Tamsui 25137, Taiwan (China)], E-mail: mslin@mail.tku.edu.tw; Wang Junsheng; Lai Chienhung [Department of Chemistry, Tamkang University, Tamsui 25137, Taiwan (China)

2008-11-01

This paper describes the electrogenerated chemiluminescence (ECL) processes of Ru(bpy){sub 3}{sup 2+}/nicotine system at ITO working electrode. An ECL-based method for rapid and sensitive detection of nicotine in phosphate buffer solution at pH 8.0 is established. Strong ECL emission was observed at a positive potential of 1.4 V vs. Ag/AgCl. A possible ECL mechanism is proposed for the Ru(bpy){sub 3}{sup 2+}/nicotine system, the oxidation product of nicotine at the electrode surface reacts with the 3+ state of ruthenium bipyridyl (2+) complex and form ruthenium complex exited state ions and thus releases photons. Effect of pH (medium/electrolyte), working potential, buffer composition, buffer concentration, reactant and co-reactant (nicotine) concentration, flow rate and loop size on the ECL spectrum of the Ru(bpy){sub 3}{sup 2+}/nicotine were studied. At the optimized experimental conditions, lower detection limit for nicotine was observed as 1.2 nmol L{sup -1} (S/N = 3). Linear relationship between ECL current and concentration of nicotine was observed (up to 100 {mu}mol L{sup -1}) with R-value of 0.997. The relative standard deviation with 5 {mu}mol L{sup -1} concentration of nicotine for 20 analyses was only 1.4%. A 94% recovery rate was observed in a real sample analysis without any complications/disturbance in measurement. Interferences of humid acid, camphor and SDS were not observed in their presence in the sample solution. The established procedure for nicotine quantification manifests fascinating results and can be suggested for further applications.

Electrochemiluminescent determination of nicotine based on tri(2,2'-bipyridyl) ruthenium (II) complex through flow injection analysis

Energy Technology Data Exchange (ETDEWEB)

Lin, Meng Shan; Wang, Jun Sheng; Lai, Chien Hung [Department of Chemistry, Tamkang University, Tamsui 25137 (China)

2008-11-01

This paper describes the electrogenerated chemiluminescence (ECL) processes of Ru(bpy){sub 3}{sup 2+}/nicotine system at ITO working electrode. An ECL-based method for rapid and sensitive detection of nicotine in phosphate buffer solution at pH 8.0 is established. Strong ECL emission was observed at a positive potential of 1.4 V vs. Ag/AgCl. A possible ECL mechanism is proposed for the Ru(bpy){sub 3}{sup 2+}/nicotine system, the oxidation product of nicotine at the electrode surface reacts with the 3+ state of ruthenium bipyridyl (2+) complex and form ruthenium complex exited state ions and thus releases photons. Effect of pH (medium/electrolyte), working potential, buffer composition, buffer concentration, reactant and co-reactant (nicotine) concentration, flow rate and loop size on the ECL spectrum of the Ru(bpy){sub 3}{sup 2+}/nicotine were studied. At the optimized experimental conditions, lower detection limit for nicotine was observed as 1.2 nmol L{sup -1} (S/N = 3). Linear relationship between ECL current and concentration of nicotine was observed (up to 100 {mu}mol L{sup -1}) with R-value of 0.997. The relative standard deviation with 5 {mu}mol L{sup -1} concentration of nicotine for 20 analyses was only 1.4%. A 94% recovery rate was observed in a real sample analysis without any complications/disturbance in measurement. Interferences of humid acid, camphor and SDS were not observed in their presence in the sample solution. The established procedure for nicotine quantification manifests fascinating results and can be suggested for further applications. (author)

Inefficient Angular Momentum Transport in Accretion Disk Boundary Layers: Angular Momentum Belt in the Boundary Layer

Science.gov (United States)

Belyaev, Mikhail A.; Quataert, Eliot

2018-04-01

We present unstratified 3D MHD simulations of an accretion disk with a boundary layer (BL) that have a duration ˜1000 orbital periods at the inner radius of the accretion disk. We find the surprising result that angular momentum piles up in the boundary layer, which results in a rapidly rotating belt of accreted material at the surface of the star. The angular momentum stored in this belt increases monotonically in time, which implies that angular momentum transport mechanisms in the BL are inefficient and do not couple the accretion disk to the star. This is in spite of the fact that magnetic fields are advected into the BL from the disk and supersonic shear instabilities in the BL excite acoustic waves. In our simulations, these waves only carry a small fraction (˜10%) of the angular momentum required for steady state accretion. Using analytical theory and 2D viscous simulations in the R - ϕ plane, we derive an analytical criterion for belt formation to occur in the BL in terms of the ratio of the viscosity in the accretion disk to the viscosity in the BL. Our MHD simulations have a dimensionless viscosity (α) in the BL that is at least a factor of ˜100 smaller than that in the disk. We discuss the implications of these results for BL dynamics and emission.

Schiff base ligand

Indian Academy of Sciences (India)

Unknown

Low-temperature stoichiometric Schiff base reaction in air in 3 : 1 mole ratio between benz- aldehyde and triethylenetetramine (trien) in methanol yields a novel tetraaza µ-bis(bidentate) acyclic ligand L. It was .... electrochemical work was performed as reported in ..... change in ligand shape through change in oxidation.

Thermal behaviour of hafnium diethylenetriaminepentaacetate studied using the perturbed angular correlation technique

Energy Technology Data Exchange (ETDEWEB)

Chain, Cecilia Y. [Universidad Nacional de La Plata (Argentina). Dept. de Fisica; Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), La Plata (Argentina). IFLP-CCT; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina); Rivas, Patricia [Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), La Plata (Argentina). IFLP-CCT; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires (Argentina); Universidad Nacional de La Plata (Argentina). Facultad de Ciencias Agrarias y Forestales; Pasquevich, Alberto F. [Universidad Nacional de La Plata (Argentina). Dept. de Fisica; Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), La Plata (Argentina). IFLP-CCT; Comision de Investigaciones Cientificas de la Provincia de Buenos Aires (CIC-PBA) (Argentina)

2014-07-01

Polyaminecarboxilic ligands like diethylenetriaminepentaacetic acid form stable complexes with many heavy metal ions, excelling as cation chelants especially in the field of radiopharmacy. The aim of this work is to characterize, by using the Time Differential Perturbed Angular Correlations (TDPAC) technique, the hyperfine interactions at hafnium sites in hafnium diethylenetriaminepentaacetate and to investigate their evolution as temperature increases. TDPAC results for KHfDTPA.3H{sub 2}O obtained by chemical synthesis yield a well defined and highly asymmetric interaction of quadrupole frequency ω{sub Q} = 141 Mrad/s, which is consistent with the existence of a unique site for the metal in the crystal lattice. The thermal behaviour of the chelate is investigated by means of differential scanning calorimetry and thermogravimetrical analyses revealing that an endothermic dehydration of KHfDTPA.3H{sub 2}O takes place in one step between 80 C and 180 C. The anhydrous KHfDTPA thus arising is characterized by a fully asymmetric and well defined interaction of quadrupole frequency ω{sub Q} = 168 Mrad/s. (orig.)

Thermal behaviour of hafnium diethylenetriaminepentaacetate studied using the perturbed angular correlation technique

International Nuclear Information System (INIS)

Chain, Cecilia Y.; Rivas, Patricia

2014-01-01

Polyaminecarboxilic ligands like diethylenetriaminepentaacetic acid form stable complexes with many heavy metal ions, excelling as cation chelants especially in the field of radiopharmacy. The aim of this work is to characterize, by using the Time Differential Perturbed Angular Correlations (TDPAC) technique, the hyperfine interactions at hafnium sites in hafnium diethylenetriaminepentaacetate and to investigate their evolution as temperature increases. TDPAC results for KHfDTPA.3H 2 O obtained by chemical synthesis yield a well defined and highly asymmetric interaction of quadrupole frequency ω Q = 141 Mrad/s, which is consistent with the existence of a unique site for the metal in the crystal lattice. The thermal behaviour of the chelate is investigated by means of differential scanning calorimetry and thermogravimetrical analyses revealing that an endothermic dehydration of KHfDTPA.3H 2 O takes place in one step between 80 C and 180 C. The anhydrous KHfDTPA thus arising is characterized by a fully asymmetric and well defined interaction of quadrupole frequency ω Q = 168 Mrad/s. (orig.)

Angular cheilitis: A clinical and microbial study

Directory of Open Access Journals (Sweden)

Nirima Oza

2017-01-01

Full Text Available Aims: The aim of the present study was to examine clinical types and microbiological flora isolated from angular chelitis. Materials and Methods: An eroded and/or erythematous, with or without fissure formation, nonvesicular lesion radiating from the angle of the mouth was considered to be angular chelitis. A sample of the present study comprised of 40 patients having unilateral or bilateral angular chelitis and 20 healthy individuals without any lip lesions. Clinical examination was done. In both test and control groups, the sample for microbial analysis was obtained from angle of the mouth. Results: Clinically, four types of angular cheilitis lesions were found, Type I, II, III, and IV. The most common type of lesion found was Type I lesion. Microorganisms isolated from the lesion were Staphylococcus aureus, Candida or Streptococci in 33 (82.5% cases either in pure culture or mixed culture. Among these 33 patients, S. aureus was found in 25 (75.5% cases, Candida in 16 (48.4% cases, and Streptococci in 5 (13.5% cases, respectively. Out of 16 cases positive for Candida, in 13 cases further isolation of Candida was possible. Candida albicans was found in 6 cases and Candida stellastodia in 7 cases. In majority of the dentulous and edentulous patients, S. aureus showed profuse growth. Conclusions: There are microorganisms associated with angular cheilitis.

Mastering AngularJD for .NET developers

CERN Document Server

Majid, Mohammad Wadood

2015-01-01

This book is envisioned for traditional developers and programmers who want to develop client-side applications using the AngularJS framework and ASP.NET Web API 2 with Visual Studio. .NET developers who have already built web applications or web services and who have a fundamental knowledge of HTML, JavaScript, and CSS and want to explore single-page applications will also find this guide useful. Basic knowledge of AngularJS would be helpful.

Angular Spectra of Polarized Galactic Foregrounds

OpenAIRE

Cho, Jung; Lazarian, A.

2003-01-01

It is believed that magnetic field lines are twisted and bend by turbulent motions in the Galaxy. Therefore, both Galactic synchrotron emission and thermal emission from dust reflects statistics of Galactic turbulence. Our simple model of Galactic turbulence, motivated by results of our simulations, predicts that Galactic disk and halo exhibit different angular power spectra. We show that observed angular spectra of synchrotron emission are compatible with our model. We also show that our mod...

Efficient evaluation of angular power spectra and bispectra

Science.gov (United States)

Assassi, Valentin; Simonović, Marko; Zaldarriaga, Matias

2017-11-01

Angular statistics of cosmological observables are hard to compute. The main difficulty is due to the presence of highly-oscillatory Bessel functions which need to be integrated over. In this paper, we provide a simple and fast method to compute the angular power spectrum and bispectrum of any observable. The method is based on using an FFTlog algorithm to decompose the momentum-space statistics onto a basis of power-law functions. For each power law, the integrals over Bessel functions have a simple analytical solution. This allows us to efficiently evaluate these integrals, independently of the value of the multipole l. In particular, this method significantly speeds up the evaluation of the angular bispectrum compared to existing methods. To illustrate our algorithm, we compute the galaxy, lensing and CMB temperature angular power spectrum and bispectrum.

Angular dispersion and deflection function for heavy ion elastic scattering

International Nuclear Information System (INIS)

Bai Zhen; Han Jianlong; Hu Zhengguo; Chinese Academy of Sciences, Beijing

2007-01-01

The differential cross sections for elastic scattering products of 17 F on 208 Pb have been measured. The angular dispersion plots of ln(dσ/dθ) versus θ 2 are obtained from the angular distribution of the elastic scattering differential cross sections. Systematical analysis on the angular dispersion for the available experimental data indicates that there is an angular dispersion turning angle at forward angular range within the grazing angle. This turning angle can be clarified as nuclear rainbow in classical deflection function. The exotic behaviour of the nuclear rainbow angle offers a new probe to investigate the halo and skin phenomena. (authors)

ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites.

Science.gov (United States)

Konc, Janez; Janežič, Dušanka

2014-07-01

The ProBiS-ligands web server predicts binding of ligands to a protein structure. Starting with a protein structure or binding site, ProBiS-ligands first identifies template proteins in the Protein Data Bank that share similar binding sites. Based on the superimpositions of the query protein and the similar binding sites found, the server then transposes the ligand structures from those sites to the query protein. Such ligand prediction supports many activities, e.g. drug repurposing. The ProBiS-ligands web server, an extension of the ProBiS web server, is open and free to all users at http://probis.cmm.ki.si/ligands. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

Frame dependence of spin-one angular conditions in light front dynamics

International Nuclear Information System (INIS)

Bakker, Bernard L. G.; Ji Chuengryong

2002-01-01

We elaborate the frame dependence of the angular conditions for spin-1 form factors. An extra angular condition is found in addition to the usual angular condition relating the four helicity amplitudes. Investigating the frame dependence of angular conditions, we find that the extra angular condition is in general as complicated as the usual one, although it becomes very simple in the q + =0 frame involving only two helicity amplitudes. It is confirmed that the angular conditions are identical in frames that are connected by kinematical transformations. The high-Q 2 behavior of the physical form factors and the limiting behavior in special reference frames are also discussed

On the angular momentum in star formation

International Nuclear Information System (INIS)

Horedt, G.P.

1978-01-01

The author discusses the rotation of interstellar clouds which are in a stage immediately before star formation. Cloud collisions seem to be the principal cause of the observed rotation of interstellar clouds. The rotational motion of the clouds is strongly influenced by turbulence. Theories dealing with the resolution of the angular momentum problem in star formation are classified into five major groups. The old idea that the angular momentum of an interstellar cloud passes during star formation into the angular momentum of double star systems and/or circumstellar clouds, is developed. It is suggested that a rotating gas cloud contracts into a ring-like structure which fragments into self-gravitating subcondensations. By collisions and gas accretion these subcondensations accrete into binary systems surrounded by circumstellar clouds. Using some rough approximations the authors find analytical expressions for the semi-major axis of the binary system and for the density of the circumstellar clouds as a function of the initial density and of the initial angular velocity of an interstellar cloud. The obtained values are well within the observational limits. (Auth.)

Interaction of calreticulin with CD40 ligand, TRAIL and Fas ligand

DEFF Research Database (Denmark)

Duus, K; Pagh, R T; Holmskov, U

2007-01-01

is utilized by many other functionally diverse molecules and in this work the interaction of calreticulin with C1q and structurally similar molecules was investigated. In addition to C1q and MBL, CD40 ligand (CD40L), tumour necrosis factor-related apoptosis-inducing ligand (TRAIL) and Fas ligand (FasL) were...... found to bind calreticulin strongly. A low level or no binding was observed for adiponectin, tumour necrosis factor-alpha (TNF-alpha), CD30L, surfactant protein-A and -D and collagen VIII. The interaction with calreticulin required a conformational change in CD40L, TRAIL and FasL and showed the same...

ANGULAR LIGHT-SCATTERING STUDIES ON ISOLATED MITOCHONDRIA

Science.gov (United States)

Gotterer, Gerald S.; Thompson, Thomas E.; Lehninger, Albert L.

1961-01-01

Angular light-scattering studies have been carried out on suspensions of isolated rat liver mitochondria. The angular scatter pattern has a large forward component, typical of large particles. Changes in dissymmetry and in the intensity of light scattered at 90° have been correlated with changes in optical density during the course of mitochondrial swelling and contraction. Such changes can be measured at mitochondrial concentrations much below those required for optical density measurements. Changes in mitochondrial geometry caused by factors "leaking" from mitochondria, not detectable by optical density measurements, have been demonstrated by measuring changes in dissymmetry. Angular light-scattering measurements therefore offer the advantages of increased sensitivity and of added indices of changes in mitochondrial conformation. PMID:19866589

Angular correlations and high energy evolution

International Nuclear Information System (INIS)

Kovner, Alex; Lublinsky, Michael

2011-01-01

We address the question of to what extent JIMWLK evolution is capable of taking into account angular correlations in a high energy hadronic wave function. Our conclusion is that angular (and indeed other) correlations in the wave function cannot be reliably calculated without taking into account Pomeron loops in the evolution. As an example we study numerically the energy evolution of angular correlations between dipole scattering amplitudes in the framework of the large N c approximation to JIMWLK evolution (the 'projectile dipole model'). Target correlations are introduced via averaging over an (isotropic) ensemble of anisotropic initial conditions. We find that correlations disappear very quickly with rapidity even inside the saturation radius. This is in accordance with our physical picture of JIMWLK evolution. The actual correlations inside the saturation radius in the target QCD wave function, on the other hand, should remain sizable at any rapidity.

Generation of angular-momentum-dominated electron beams from a photoinjector

International Nuclear Information System (INIS)

Sun, Yin-E.; Piot, Philippe; Kim, Kwang-Je; Barov, Nikolas; Lidia, Steven; Santucci, James; Tikhoplav, Rodion; Wennerberg, Jason

2004-01-01

Various projects under study require an angular-momentum-dominated electron beam generated by a photoinjector. Some of the proposals directly use the angular-momentum-dominated beams (e.g. electron cooling of heavy ions), while others require the beam to be transformed into a flat beam (e.g. possible electron injectors for light sources and linear colliders). In this paper, we report our experimental study of an angular-momentum-dominated beam produced in a photoinjector, addressing the dependencies of angular momentum on initial conditions. We also briefly discuss the removal of angular momentum. The results of the experiment, carried out at the Fermilab/NICADD Photoinjector Laboratory, are found to be in good agreement with theoretical and numerical models

Nuclear spin measurement using the angular correlation method

International Nuclear Information System (INIS)

Schapira, J.-P.

The double angular correlation method is defined by a semi-classical approach (Biendenharn). The equivalence formula in quantum mechanics are discussed for coherent and incoherent angular momentum mixing; the correlations are described from the density and efficiency matrices (Fano). The ambiguities in double angular correlations can be sometimes suppressed (emission of particles with a high orbital momentum l), using triple correlations between levels with well defined spin and parity. Triple correlations are applied to the case where the direction of linear polarization of γ-rays is detected [fr

Notes on the quantum theory of angular momentum

CERN Document Server

Feenberg, Eugene

1999-01-01

This classic, concise text has served a generation of physicists as an exceptionally useful guide to the mysteries of angular momenta and Clebsch-Gordon Coefficients. Derived from notes originally prepared to assist graduate students in reading research papers on atomic, molecular, and nuclear structure, the text first reviews the basic elements of quantum theory. It then examines the development of the fundamental commutation relations for angular momentum components and vector operators, and the ways in which matrix elements and eigenvalues of the angular momentum operators are worked out f

Automated Angular Momentum Recoupling Algebra

Science.gov (United States)

Williams, H. T.; Silbar, Richard R.

1992-04-01

We present a set of heuristic rules for algebraic solution of angular momentum recoupling problems. The general problem reduces to that of finding an optimal path from one binary tree (representing the angular momentum coupling scheme for the reduced matrix element) to another (representing the sub-integrals and spin sums to be done). The method lends itself to implementation on a microcomputer, and we have developed such an implementation using a dialect of LISP. We describe both how our code, called RACAH, works and how it appears to the user. We illustrate the use of RACAH for several transition and scattering amplitude matrix elements occurring in atomic, nuclear, and particle physics.

Synthesis of fluorinated ReCl(4,4'-R2-2,2'-bipyridine)(CO)3 complexes and their photophysical characterization in CH3CN and supercritical CO2.

Science.gov (United States)

Doherty, Mark D; Grills, David C; Fujita, Etsuko

2009-03-02

Two new CO(2)-soluble rhenium(I) bipyridine complexes bearing the fluorinated alkyl ligands 4,4'-(C(6)F(13)CH(2)CH(2)CH(2))(2)-2,2'-bipyridine (1a), and 4,4'-(C(8)F(17)CH(2)CH(2)CH(2))(2)-2,2'-bipyridine (1b) have been prepared and their photophysical properties investigated in CH(3)CN and supercritical CO(2). Electrochemical and spectroscopic characterization of these complexes in CH(3)CN suggests that the three methylene units effectively insulate the bipyridyl rings and the rhenium center from the electron-withdrawing effect of the fluorinated alkyl chains. Reductive quenching of the metal-to-ligand charge-transfer excited states with triethylamine reveals quenching rate constants in supercritical CO(2) that are only 6 times slower than those in CH(3)CN.

Bitopic Ligands and Metastable Binding Sites

DEFF Research Database (Denmark)

Fronik, Philipp; Gaiser, Birgit I; Sejer Pedersen, Daniel

2017-01-01

of orthosteric binding sites. Bitopic ligands have been employed to address the selectivity problem by combining (linking) an orthosteric ligand with an allosteric modulator, theoretically leading to high-affinity subtype selective ligands. However, it remains a challenge to identify suitable allosteric binding...... that have been reported to date, this type of bitopic ligands would be composed of two identical pharmacophores. Herein, we outline the concept of bitopic ligands, review metastable binding sites, and discuss their potential as a new source of allosteric binding sites....

Angular momentum alignment in molecular beam scattering

International Nuclear Information System (INIS)

Treffers, M.A.

1985-01-01

It is shown how the angular momentum alignment in a molecular beam can be determined using laser-induced fluorescence in combination with precession of the angular momenta in a magnetic field. After a general analysis of the method, some results are presented to illustrate the possibilities of the method. Experimental data are presented on the alignment production for Na 2 molecules that made a collision induced angular momentum transition. Magnitude as well as direction of the alignment have been determined for scattering with several scattering partners and for a large number of scattering angles and transitions. The last chapter deals with the total alignment production in a final J-state, i.e. without state selection of the initial rotational state. (orig.)

Yksisivuisten web-sovellusten kehittäminen Angular 2 -sovelluskehyksellä

OpenAIRE

Kujala, Miika

2016-01-01

Yksisivuiset web-sovellukset ovat yleistyneet viime vuosina. Niiden kehityksessä hyödynnetään usein JavaScript-sovelluskehystä. Angular 2 on Google:n kehittämä JavaScript-sovelluskehys. Tämän tutkielman tavoitteena on tarkastella Angular 2 -sovelluskehystä ja sen soveltuvuutta yksisivuisten web-sovellusten ke- hityksessä. Tutkielmassa käydään läpi Angular 2 -sovelluskehyksen ominaisuuksia sekä Angular 2 -sovelluskehyksen käytössä ilmeneviä etuja ja haittoja.

Design and Implementation of a Digital Angular Rate Sensor

Directory of Open Access Journals (Sweden)

Zhen Peng

2010-10-01

Full Text Available With the aim of detecting the attitude of a rotating carrier, the paper presents a novel, digital angular rate sensor. The sensor consists of micro-sensing elements (gyroscope and accelerometer, signal processing circuit and micro-processor (DSP2812. The sensor has the feature of detecting three angular rates of a rotating carrier at the same time. The key techniques of the sensor, including sensing construction, sensing principles, and signal processing circuit design are presented. The test results show that the sensor can sense rolling, pitch and yaw angular rate at the same time and the measurement error of yaw (or pitch angular rate and rolling rate of the rotating carrier is less than 0.5%.

Angular Accelerating White Light

CSIR Research Space (South Africa)

Dudley, Angela L

2015-08-01

Full Text Available wavelength dependence. By digitally simulating free-space propagation on the SLM, The authors compare the effects of real and digital propagation on the angular rotation rates of the resulting optical fields for various wavelengths. The development...

Angular momentum dependence of the distribution of shell model eigenenergies

International Nuclear Information System (INIS)

Yen, M.K.

1974-01-01

In the conventional shell model calculation the many-particle energy matrices are constructed and diagonalized for definite angular momentum and parity. However the resulting set of eigenvalues possess a near normal behavior and hence a simple statistical description is possible. Usually one needs only about four parameters to capture the average level densities if the size of the set is not too small. The parameters are essentially moments of the distribution. But the difficulty lies in the yet unsolved problem of calculating moments in the fixed angular momentum subspace. We have derived a formula to approximate the angular momentum projection dependence of any operator averaged in a shell model basis. This approximate formula which is a truncated series in Hermite polynomials has been proved very good numerically and justified analytically for large systems. Applying this formula to seven physical cases we have found that the fixed angular momentum projection energy centroid, width and higher central moments can be obtained accurately provided for even-even nuclei the even and odd angular momentum projections are treated separately. Using this information one can construct the energy distribution for fixed angular momentum projection assuming normal behavior. Then the fixed angular momentum level densities are deduced and spectra are extracted. Results are in reasonably good agreement with the exact values although not as good as those obtained using exact fixed angular momentum moments. (Diss. Abstr. Int., B)

A Novel Permanent Magnetic Angular Acceleration Sensor

Directory of Open Access Journals (Sweden)

Hao Zhao

2015-07-01

Full Text Available Angular acceleration is an important parameter for status monitoring and fault diagnosis of rotary machinery. Therefore, we developed a novel permanent magnetic angular acceleration sensor, which is without rotation angle limitations and could directly measure the instantaneous angular acceleration of the rotating system. The sensor rotor only needs to be coaxially connected with the rotating system, which enables convenient sensor installation. For the cup structure of the sensor rotor, it has a relatively small rotational inertia. Due to the unique mechanical structure of the sensor, the output signal of the sensor can be directed without a slip ring, which avoids signal weakening effect. In this paper, the operating principle of the sensor is described, and simulated using finite element method. The sensitivity of the sensor is calibrated by torsional pendulum and angle sensor, yielding an experimental result of about 0.88 mV/(rad·s−2. Finally, the angular acceleration of the actual rotating system has been tested, using both a single-phase asynchronous motor and a step motor. Experimental result confirms the operating principle of the sensor and indicates that the sensor has good practicability.

AngularJS yksisivuisen web-applikaation kehitysalustana

OpenAIRE

Karhu, Tuomo

2015-01-01

Yksisivuiset web-applikaatiot (SPA-sovellukset) ovat yleistyneet viimeisten kymmenen vuoden aikana, ja näiden avulla on ollut mahdollista tuoda verkkosivuston käyttökokemus lähemmäksi aitojen ohjelmasovellusten vastaavaa. Yksisivuisten web-applikaatioitten kehitystyöhön tarkoitetuista sovelluskehyksistä AngularJS on yksi käytetyimmistä ja suosituimmista. Työn tavoitteena on selvittää miten AngularJS-sovelluskehys soveltuu SPA-sivustojen kehitykseen sovelluskehittäjän näkökulmasta, sekä mi...

Measurement of angular distribution of cosmic-ray muon fluence rate

International Nuclear Information System (INIS)

Lin, Jeng-Wei; Chen, Yen-Fu; Sheu, Rong-Jiun; Jiang, Shiang-Huei

2010-01-01

In this work a Berkeley Lab cosmic ray detector was used to measure the angular distribution of the cosmic-ray muon fluence rate. Angular response functions of the detector at each measurement orientation were calculated by using the FLUKA Monte Carlo code, where no energy attenuation was taken into account. Coincidence counting rates were measured at ten orientations with equiangular intervals. The muon angular fluence rate spectrum was unfolded from the measured counting rates associated with the angular response functions using both the MAXED code and the parameter adjusting method.

Angular momentum content of galaxies

International Nuclear Information System (INIS)

Shaya, E.J.; Tully, R.B.

1984-01-01

A schema of galaxy formation is developed in which the environmental influence of large-scale structure plays a dominant role. This schema was motivated by the observation that the fraction of E and S0 galaxies is much higher in clusters than in low-density regions and by an inference that those spirals that are found in clusters probably have fallen in relatively recently from the low-density regions. It is proposed that the tidal field of the Local Supercluster acts to determine the morphology of galaxies through two complementary mechanisms. In the first place, the supercluster can apply torques to protogalaxies. Galaxies which collapsed while expanding away from the central cluster decoupled from the external tidal field and conserved the angular momentum that they acquired before collapse. Galaxies which formed in the cluster while the cluster collapsed continued to feel the tidal field. In the latter case, the spin of outer collapsing layers can be halted and reversed, and tends to cancel the spin of inner layers. The result is a reduction of the total angular momentum content of the galaxy. In addition, the supercluster tidal field can regulate accretion of fresh material onto the galaxies since the field creates a Roche limit about galaxies and material beyond this limit is lost. Any material that has not collapsed onto a galaxy by the time the galaxy falls into a cluster will be tidally stripped. The angular momentum content of that part of the protogalactic cloud which has not yet collapsed . continues to grow linearly with time due to the continued torquing by the supercluster and neighbors. Galaxies at large distances from the cluster core can continue to accrete this high angular momentum material until the present, but galaxies that enter the cluster are cut off from replenishing material

QCD angular correlations for muon pair production

International Nuclear Information System (INIS)

Kajantie, K.; Raitio, R.; Lindfors, J.

1978-01-01

Angular distributions of muons are discussed in the framework of a QCD treatment of muon pair production in hadron-hadron collisions. The predicted angular effects are independent of the infrared behavior of QCD. Measuring them will permit one to determine whether the origin of the large transverse momentum of the pair is in the quark transverse momenta or in a constituent-constituent subprocess. (author)

Electronic orbital angular momentum and magnetism of graphene

Energy Technology Data Exchange (ETDEWEB)

Luo, Ji, E-mail: ji.luo@upr.edu

2014-10-01

Orbital angular momentum (OAM) of graphene electrons in a perpendicular magnetic field is calculated and corresponding magnetic moment is used to investigate the magnetism of perfect graphene. Variation in magnetization demonstrates its decrease with carrier-doping, plateaus in a large field, and de Haas–van Alphen oscillation. Regulation of graphene's magnetism by a parallel electric field is presented. The OAM originates from atomic-scale electronic motion in graphene lattice, and vector hopping interaction between carbon atomic orbitals is the building element. A comparison between OAM of graphene electrons, OAM of Dirac fermions, and total angular momentum of the latter demonstrates their different roles in graphene's magnetism. Applicability and relation to experiments of the results are discussed. - Highlights: • Orbital angular momentum of graphene electrons is calculated. • Orbital magnetic moment of graphene electrons is obtained. • Variation in magnetization of graphene is calculated. • Roles of different kinds of angular momentum are investigated.

Angular momentum in QGP holography

Directory of Open Access Journals (Sweden)

Brett McInnes

2014-10-01

Full Text Available The quark chemical potential is one of the fundamental parameters describing the quark–gluon plasma produced by sufficiently energetic heavy-ion collisions. It is not large at the extremely high temperatures probed by the LHC, but it plays a key role in discussions of the beam energy scan programmes at the RHIC and other facilities. On the other hand, collisions at such energies typically (that is, in peripheral collisions give rise to very high values of the angular momentum density. Here we explain that holographic estimates of the quark chemical potential of a rotating sample of plasma can be very considerably improved by taking the angular momentum into account.

Large-uncertainty intelligent states for angular momentum and angle

International Nuclear Information System (INIS)

Goette, Joerg B; Zambrini, Roberta; Franke-Arnold, Sonja; Barnett, Stephen M

2005-01-01

The equality in the uncertainty principle for linear momentum and position is obtained for states which also minimize the uncertainty product. However, in the uncertainty relation for angular momentum and angular position both sides of the inequality are state dependent and therefore the intelligent states, which satisfy the equality, do not necessarily give a minimum for the uncertainty product. In this paper, we highlight the difference between intelligent states and minimum uncertainty states by investigating a class of intelligent states which obey the equality in the angular uncertainty relation while having an arbitrarily large uncertainty product. To develop an understanding for the uncertainties of angle and angular momentum for the large-uncertainty intelligent states we compare exact solutions with analytical approximations in two limiting cases

Power calculation of linear and angular incremental encoders

Science.gov (United States)

Prokofev, Aleksandr V.; Timofeev, Aleksandr N.; Mednikov, Sergey V.; Sycheva, Elena A.

2016-04-01

Automation technology is constantly expanding its role in improving the efficiency of manufacturing and testing processes in all branches of industry. More than ever before, the mechanical movements of linear slides, rotary tables, robot arms, actuators, etc. are numerically controlled. Linear and angular incremental photoelectric encoders measure mechanical motion and transmit the measured values back to the control unit. The capabilities of these systems are undergoing continual development in terms of their resolution, accuracy and reliability, their measuring ranges, and maximum speeds. This article discusses the method of power calculation of linear and angular incremental photoelectric encoders, to find the optimum parameters for its components, such as light emitters, photo-detectors, linear and angular scales, optical components etc. It analyzes methods and devices that permit high resolutions in the order of 0.001 mm or 0.001°, as well as large measuring lengths of over 100 mm. In linear and angular incremental photoelectric encoders optical beam is usually formulated by a condenser lens passes through the measuring unit changes its value depending on the movement of a scanning head or measuring raster. Past light beam is converting into an electrical signal by the photo-detecter's block for processing in the electrical block. Therefore, for calculating the energy source is a value of the desired value of the optical signal at the input of the photo-detecter's block, which reliably recorded and processed in the electronic unit of linear and angular incremental optoelectronic encoders. Automation technology is constantly expanding its role in improving the efficiency of manufacturing and testing processes in all branches of industry. More than ever before, the mechanical movements of linear slides, rotary tables, robot arms, actuators, etc. are numerically controlled. Linear and angular incremental photoelectric encoders measure mechanical motion and

Spectrophotometric method for determination of bifunctional macrocyclic ligands in macrocyclic ligand-protein conjugates

International Nuclear Information System (INIS)

Dadachova, E.; Chappell, L.L.; Brechbiel, M.W.

1999-01-01

A simple spectrophotometric assay for determination of bifunctional polyazacarboxylate-macrocyclic ligands of different sizes that are conjugated to proteins has been developed for: 12-membered macrocycle DOTA (2-[4-nitrobenzyl]-1, 4, 7, 10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid) and analogs, the 15-membered PEPA macrocycle (2-[4-nitrobenzyl]-1,4,7,10,13-pentaazacyclopentadecane-N,N',N'',N''',N'''' -pentaacetic acid), and the large 18-membered macrocycle HEHA (1,4,7,10,13,16-hexaazacyclooctadecane-N,N',N'',N''',N''''-hexaacetic acid). The method is based on titration of the blue-colored 1:1 Pb(II)-Arsenazo III (AAIII) complex with the polyazacarboxylate macrocyclic ligand in the concentration range of 0-2.5 μM, wherein color change occurring upon transchelation of the Pb(II) from the AAIII to the polyazamacrocyclic ligand is monitored at 656 nm. The assay is performed at ambient temperature within 20 min without any interfering interaction between the protein and Pb(II)-AA(III) complex. Thus, this method also provides a ligand-to-protein ratio (L/P ratio) that reflects the effective number of ligands per protein molecule available to radiolabeling. The method is not suitable for 14-membered TETA macrocycle (2-[4-nitrobenzyl]-1, 4, 8, 11-tetraazacyclotetradecane N,N',N'',N'''-tetraacetic acid) because of low stability constant of Pb(II)-TETA complex. The method is rapid, simple and may be customized for other polyazacarboxylate macrocyclic ligands

Angular analysis of $\\Lambda_{b} \\rightarrow \\Lambda \\mu^{+}\\mu^{-}$

CERN Multimedia

Chatzikonstantinidis, Georgios

2018-01-01

The angular analysis of the rare baryon decay of $\\Lambda_{b}\\rightarrow \\Lambda (\\rightarrow p\\pi^{-})\\mu^{+}\\mu^{-}$ in high $q^{2}$ is presented. The dataset that is used corresponds to an integrated luminosity of 5.0 fb$^{-1}$ of pp - collision data collected at centre-of-mass energies between 7 and 13 TeV by the LHCb detector in 2011, 2012, 2015 and 2016. Angular observables are determined using a moment analysis of the angular distribution.

Angular momentum of circularly polarized light in dielectric media

OpenAIRE

Mansuripur, Masud

2014-01-01

A circularly polarized plane-wave is known to have no angular momentum when examined through Maxwell's equations. This, however, contradicts the experimentally observed facts, where finite segments of plane waves are known to be capable of imparting angular momentum to birefringent platelets. Using a superposition of four plane-waves propagating at slightly different angles to a common direction, we derive an expression for the angular momentum density of a single plane-wave in the limit when...

Rosetta Ligand docking with flexible XML protocols.

Science.gov (United States)

Lemmon, Gordon; Meiler, Jens

2012-01-01

RosettaLigand is premiere software for predicting how a protein and a small molecule interact. Benchmark studies demonstrate that 70% of the top scoring RosettaLigand predicted interfaces are within 2Å RMSD from the crystal structure [1]. The latest release of Rosetta ligand software includes many new features, such as (1) docking of multiple ligands simultaneously, (2) representing ligands as fragments for greater flexibility, (3) redesign of the interface during docking, and (4) an XML script based interface that gives the user full control of the ligand docking protocol.

Angular momentum of circularly polarized light in dielectric media

Science.gov (United States)

Mansuripur, Masud

2005-07-01

A circularly polarized plane-wave is known to have no angular momentum when examined through Maxwell’s equations. This, however, contradicts the experimentally observed facts, where finite segments of plane waves are known to be capable of imparting angular momentum to birefringent platelets. Using a superposition of four plane-waves propagating at slightly different angles to a common direction, we derive an expression for the angular momentum density of a single plane-wave in the limit when the propagation directions of the four beams come into alignment. We proceed to use this four-beam technique to analyze the conservation of angular momentum when a plane-wave enters a dielectric slab from the free space. The angular momentum of the beam is shown to decrease upon entering the dielectric medium, by virtue of the fact that the incident beam exerts a torque on the slab surface at the point of entry. When the beam leaves the slab, it imparts an equal but opposite torque to the exit facet, thus recovering its initial angular momentum upon re-emerging into the free-space. Along the way, we derive an expression for the outward-directed force of a normally incident, finite-diameter beam on a dielectric surface; the possible relationship between this force and the experimentally observed bulging of a liquid surface under intense illumination is explored.

Ligand-receptor Interactions by NMR Spectroscopy

Directory of Open Access Journals (Sweden)

Novak. P.

2008-04-01

Full Text Available Today NMR spectroscopy is a method of choice for elucidation of interactions between biomolecules and the potential ligands. Knowledge on these interactions is an essential prerequisite for the rational drug design. The most important contribution of NMR to drug design a few years ago was the 3D structure determination of proteins. Besides delivering the 3D structures of the free proteins as a raw material for the modeling studies on ligand binding, NMR can directly yield valuable experimental data on the biologically important protein-ligand complexes. In addition to X-ray diffraction, NMR spectroscopy can provide information on the internal protein dynamics ordynamics of intermolecular interactions. Changes in NMR parameters allow us to detect ("SAR by NMR" and quantitatively determine binding affinities (titration, diffusion NMR experiments, etc. of potential ligands. Also, it is possible to determine the binding site and conformations of ligands, receptors and receptor-ligand complexes with the help of NMR methods such as tr-NOESY. Epitopes or functional groups responsible for binding of ligands to the receptor can be identified by employing STD or WaterLOGSY experiments. In this review are described some of the most frequent NMR methods for the characterization of the interactions between biomolecules and ligands, together with their advantages and disadvantages.

Angular momentum conservation law in light-front quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Chiu, Kelly Yu-Ju; Brodsky, Stanley J.; /SLAC /Stanford U.

2017-03-01

We prove the Lorentz invariance of the angular momentum conservation law and the helicity sum rule for relativistic composite systems in the light-front formulation. We explicitly show that j 3 , the z -component of the angular momentum remains unchanged under Lorentz transformations generated by the light-front kinematical boost operators. The invariance of j 3 under Lorentz transformations is a feature unique to the front form. Applying the Lorentz invariance of the angular quantum number in the front form, we obtain a selection rule for the orbital angular momentum which can be used to eliminate certain interaction vertices in QED and QCD. We also generalize the selection rule to any renormalizable theory and show that there exists an upper bound on the change of orbital angular momentum in scattering processes at any fixed order in perturbation theory.

Sorting and quantifying orbital angular momentum of laser beams

CSIR Research Space (South Africa)

Schulze, C

2013-10-01

Full Text Available We present a novel tool for sorting the orbital angular momentum and to determine the orbital angular momentum density of laser beams, which is based on the use of correlation filters....

The mass and angular momentum of reconstructed metric perturbations

Science.gov (United States)

van de Meent, Maarten

2017-06-01

We prove a key result regarding the mass and angular momentum content of linear vacuum perturbations of the Kerr metric obtained through the formalism developed by Chrzarnowski, Cohen, and Kegeles (CCK). More precisely, we prove that the Abbott-Deser mass and angular momentum integrals of any such perturbation vanish when that perturbation was obtained from a regular Fourier mode of the Hertz potential. As a corollary we obtain a generalization of previous results on the completion of the ‘no string’ radiation gauge metric perturbation generated by a point particle. We find that for any bound orbit around a Kerr black hole, the mass and angular momentum perturbations completing the CCK metric are simply the energy and angular momentum of the particle ‘outside’ the orbit and vanish ‘inside’ the orbit.

High Angular Momentum Rydberg Wave Packets

Science.gov (United States)

Wyker, Brendan

2011-12-01

High angular momentum Rydberg wave packets are studied. Application of carefully tailored electric fields to low angular momentum, high- n (n ˜ 300) Rydberg atoms creates coherent superpositions of Stark states with near extreme values of angular momentum, ℓ. Wave packet components orbit the parent nucleus at rates that depend on their energy, leading to periods of localization and delocalization as the components come into and go out of phase with each other. Monitoring survival probability signals in the presence of position dependent probing leads to observation of characteristic oscillations based on the composition of the wave packet. The discrete nature of electron energy levels is observed through the measurement of quantum revivals in the wave packet localization signal. Time-domain spectroscopy of these signals allows determination of both the population and phase of individual superposition components. Precise manipulation of wave packets is achieved through further application of pulsed electric fields. Decoherence effects due to background gas collisions and electrical noise are also detailed. Quantized classical trajectory Monte-Carlo simulations are introduced and agree remarkably well with experimental results.

A Ferrocene-Based Catecholamide Ligand: the Consequences of Ligand Swivel for Directed Supramolecular Self-Assembly

Energy Technology Data Exchange (ETDEWEB)

Mugridge, Jeffrey; Fiedler, Dorothea; Raymond, Kenneth

2010-02-04

A ferrocene-based biscatecholamide ligand was prepared and investigated for the formation of metal-ligand supramolecular assemblies with different metals. Reaction with Ge(IV) resulted in the formation of a variety of Ge{sub n}L{sub m} coordination complexes, including [Ge{sub 2}L{sub 3}]{sup 4-} and [Ge{sub 2}L{sub 2}({mu}-OMe){sub 2}]{sup 2-}. The ligand's ability to swivel about the ferrocenyl linker and adopt different conformations accounts for formation of many different Ge{sub n}L{sub m} species. This study demonstrates why conformational ligand rigidity is essential in the rational design and directed self-assembly of supramolecular complexes.

Macrocyclic G-quadruplex ligands

DEFF Research Database (Denmark)

Nielsen, M C; Ulven, Trond

2010-01-01

are macrocyclic structures which have been modeled after the natural product telomestatin or from porphyrin-based ligands discovered in the late 1990s. These two structural classes of G-quadruplex ligands are reviewed here with special attention to selectivity and structure-activity relationships, and with focus...

The Angular Momentum of Baryons and Dark Matter Halos Revisited

Science.gov (United States)

Kimm, Taysun; Devriendt, Julien; Slyz, Adrianne; Pichon, Christophe; Kassin, Susan A.; Dubois, Yohan

2011-01-01

Recent theoretical studies have shown that galaxies at high redshift are fed by cold, dense gas filaments, suggesting angular momentum transport by gas differs from that by dark matter. Revisiting this issue using high-resolution cosmological hydrodynamics simulations with adaptive-mesh refinement (AMR), we find that at the time of accretion, gas and dark matter do carry a similar amount of specific angular momentum, but that it is systematically higher than that of the dark matter halo as a whole. At high redshift, freshly accreted gas rapidly streams into the central region of the halo, directly depositing this large amount of angular momentum within a sphere of radius r = 0.1R(sub vir). In contrast, dark matter particles pass through the central region unscathed, and a fraction of them ends up populating the outer regions of the halo (r/R(sub vir) > 0.1), redistributing angular momentum in the process. As a result, large-scale motions of the cosmic web have to be considered as the origin of gas angular momentum rather than its virialised dark matter halo host. This generic result holds for halos of all masses at all redshifts, as radiative cooling ensures that a significant fraction of baryons remain trapped at the centre of the halos. Despite this injection of angular momentum enriched gas, we predict an amount for stellar discs which is in fair agreement with observations at z=0. This arises because the total specific angular momentum of the baryons (gas and stars) remains close to that of dark matter halos. Indeed, our simulations indicate that any differential loss of angular momentum amplitude between the two components is minor even though dark matter halos continuously lose between half and two-thirds of their specific angular momentum modulus as they evolve. In light of our results, a substantial revision of the standard theory of disc formation seems to be required. We propose a new scenario where gas efficiently carries the angular momentum generated

A systematic construction of microstate geometries with low angular momentum

Science.gov (United States)

Bena, Iosif; Heidmann, Pierre; Ramírez, Pedro F.

2017-10-01

We outline a systematic procedure to obtain horizonless microstate geometries that have the same charges as three-charge five-dimensional black holes with a macroscopically-large horizon area and an arbitrarily-small angular momentum. There are two routes through which such solutions can be constructed: using multi-center Gibbons-Hawking (GH) spaces or using superstratum technology. So far the only solutions corre-sponding to microstate geometries for black holes with no angular momentum have been obtained via superstrata [1], and multi-center Gibbons-Hawking spaces have been believed to give rise only to microstate geometries of BMPV black holes with a large angular mo-mentum [2]. We perform a thorough search throughout the parameter space of smooth horizonless solutions with four GH centers and find that these have an angular momentum that is generally larger than 80% of the cosmic censorship bound. However, we find that solutions with three GH centers and one supertube (which are smooth in six-dimensional supergravity) can have an arbitrarily-low angular momentum. Our construction thus gives a recipe to build large classes of microstate geometries for zero-angular-momentum black holes without resorting to superstratum technology.

Effect of nutritional intake towards Angular cheilitis of orphanage children

Directory of Open Access Journals (Sweden)

Nurdiani Rakhmayanthie

2016-11-01

Full Text Available Introduction: Angular cheilitis is one of the oral manifestations of iron, vitamin B12, and folate deficiency. This manifestation frequently seen in people at first and second decade. The purpose of this study was to obtain the prevalence of angular cheilitis and its classifications related to the nutritional intake level in 6-18 years old children. Methods: This research was a descriptive study with 53 children between 6-18 years old from Muhammadiyah Orphanage Bandung as the samples. The oral cavity was examined clinically and their food consumption in a week was noted in Food Recall 24 hours and Food Frequency Questionnaire (FFQ in order to measure their nutritional intake level. Results: There are 23 children with angular cheilitis. 13% has iron and folate deficiencies, and 87% has iron, vitamin B12, and folate deficiencies. Angular cheilitis types that has been found are Type I (39%, Type II (48% and Type III (13%. Conclusion: The prevalence of angular cheilitis in 6-18 years old children in Muhammadiyah Orphanage Bandung was moderately high, most of them were having iron, vitamin B12, and folate deficiencies. Type II angular cheilitis was the most frequently seen.

Conformational diversity of flexible ligand in metal-organic frameworks controlled by size-matching mixed ligands

International Nuclear Information System (INIS)

Hua, Xiu-Ni; Qin, Lan; Yan, Xiao-Zhi; Yu, Lei; Xie, Yi-Xin; Han, Lei

2015-01-01

Hydrothermal reactions of N-auxiliary flexible exo-bidentate ligand 1,3-bis(4-pyridyl)propane (bpp) and carboxylates ligands naphthalene-2,6-dicarboxylic acid (2,6-H_2ndc) or 4,4′-(hydroxymethylene)dibenzoic acid (H_2hmdb), in the presence of cadmium(II) salts have given rise to two novel metal-organic frameworks based on flexible ligands (FL-MOFs), namely, [Cd_2(2,6-ndc)_2(bpp)(DMF)]·2DMF (1) and [Cd_3(hmdb)_3(bpp)]·2DMF·2EtOH (2) (DMF=N,N-Dimethylformamide). Single-crystal X-ray diffraction analyses revealed that compound 1 exhibits a three-dimensional self-penetrating 6-connected framework based on dinuclear cluster second building unit. Compound 2 displays an infinite three-dimensional ‘Lucky Clover’ shape (2,10)-connected network based on the trinuclear cluster and V-shaped organic linkers. The flexible bpp ligand displays different conformations in 1 and 2, which are successfully controlled by size-matching mixed ligands during the self-assembly process. - Graphical abstract: Compound 1 exhibits a 3D self-penetrating 6-connected framework based on dinuclear cluster, and 2 displays an infinite 3D ‘Lucky Clover’ shape (2,10)-connected network based on the trinuclear cluster. The flexible 1,3-bis(4-pyridyl)propane ligand displays different conformations in 1 and 2, which successfully controlled by size-matching mixed ligands during the self-assembly process.

Conformational diversity of flexible ligand in metal-organic frameworks controlled by size-matching mixed ligands

Energy Technology Data Exchange (ETDEWEB)

Hua, Xiu-Ni; Qin, Lan; Yan, Xiao-Zhi; Yu, Lei; Xie, Yi-Xin; Han, Lei, E-mail: hanlei@nbu.edu.cn

2015-12-15

Hydrothermal reactions of N-auxiliary flexible exo-bidentate ligand 1,3-bis(4-pyridyl)propane (bpp) and carboxylates ligands naphthalene-2,6-dicarboxylic acid (2,6-H{sub 2}ndc) or 4,4′-(hydroxymethylene)dibenzoic acid (H{sub 2}hmdb), in the presence of cadmium(II) salts have given rise to two novel metal-organic frameworks based on flexible ligands (FL-MOFs), namely, [Cd{sub 2}(2,6-ndc){sub 2}(bpp)(DMF)]·2DMF (1) and [Cd{sub 3}(hmdb){sub 3}(bpp)]·2DMF·2EtOH (2) (DMF=N,N-Dimethylformamide). Single-crystal X-ray diffraction analyses revealed that compound 1 exhibits a three-dimensional self-penetrating 6-connected framework based on dinuclear cluster second building unit. Compound 2 displays an infinite three-dimensional ‘Lucky Clover’ shape (2,10)-connected network based on the trinuclear cluster and V-shaped organic linkers. The flexible bpp ligand displays different conformations in 1 and 2, which are successfully controlled by size-matching mixed ligands during the self-assembly process. - Graphical abstract: Compound 1 exhibits a 3D self-penetrating 6-connected framework based on dinuclear cluster, and 2 displays an infinite 3D ‘Lucky Clover’ shape (2,10)-connected network based on the trinuclear cluster. The flexible 1,3-bis(4-pyridyl)propane ligand displays different conformations in 1 and 2, which successfully controlled by size-matching mixed ligands during the self-assembly process.

Learning web development with Bootstrap and AngularJS

CERN Document Server

Radford, Stephen

2015-01-01

Whether you know a little about Bootstrap or AngularJS, or you're a complete beginner, this book will enhance your capabilities in both frameworks and you'll build a fully functional web app. A working knowledge of HTML, CSS, and JavaScript is required to fully get to grips with Bootstrap and AngularJS.

Rotational speedups accompanying angular deceleration of a superfluid

International Nuclear Information System (INIS)

Campbell, L.J.

1979-01-01

Exact calculations of the angular deceleration of superfluid vortex arrays show momentary speedups in the angular velocity caused by coherent, multiple vortex loss at the boundary. The existence and shape of the speedups depend on the vortex friction, the deceleration rate, and the pattern symmetry. The phenomenon resembles, in several ways, that observed in pulsars

Angular momentum transport with twisted exciton wave packets

Science.gov (United States)

Zang, Xiaoning; Lusk, Mark T.

2017-10-01

A chain of cofacial molecules with CN or CN h symmetry supports excitonic states with a screwlike structure. These can be quantified with the combination of an axial wave number and an azimuthal winding number. Combinations of these states can be used to construct excitonic wave packets that spiral down the chain with well-determined linear and angular momenta. These twisted exciton wave packets can be created and annihilated using laser pulses, and their angular momentum can be optically modified during transit. This allows for the creation of optoexcitonic circuits in which information, encoded in the angular momentum of light, is converted into excitonic wave packets that can be manipulated, transported, and then reemitted. A tight-binding paradigm is used to demonstrate the key ideas. The approach is then extended to quantify the evolution of twisted exciton wave packets in a many-body, multilevel time-domain density functional theory setting. In both settings, numerical methods are developed that allow the site-to-site transfer of angular momentum to be quantified.

A General Ligand Design for Gold Catalysis allowing Ligand-Directed Anti Nucleophilic Attack of Alkynes

Science.gov (United States)

Wang, Yanzhao; Wang, Zhixun; Li, Yuxue; Wu, Gongde; Cao, Zheng; Zhang, Liming

2014-01-01

Most homogenous gold catalyses demand ≥0.5 mol % catalyst loading. Due to the high cost of gold, these reactions are unlikely to be applicable in medium or large scale applications. Here we disclose a novel ligand design based on the privileged biphenyl-2-phosphine framework that offers a potentially general approach to dramatically lowering catalyst loading. In this design, an amide group at the 3’ position of the ligand framework directs and promotes nucleophilic attack at the ligand gold complex-activated alkyne, which is unprecedented in homogeneous gold catalysis considering the spatial challenge of using ligand to reach antiapproaching nucleophile in a linear P-Au-alkyne centroid structure. With such a ligand, the gold(I) complex becomes highly efficient in catalyzing acid addition to alkynes, with a turnover number up to 99,000. Density functional theory calculations support the role of the amide moiety in directing the attack of carboxylic acid via hydrogen bonding. PMID:24704803

Total angular momentum from Dirac eigenspinors

International Nuclear Information System (INIS)

Szabados, Laszlo B

2008-01-01

The eigenvalue problem for Dirac operators, constructed from two connections on the spinor bundle over closed spacelike 2-surfaces, is investigated. A class of divergence-free vector fields, built from the eigenspinors, are found, which, for the lowest eigenvalue, reproduce the rotation Killing vectors of metric spheres, and provide rotation BMS vector fields at future null infinity. This makes it possible to introduce a well-defined, gauge invariant spatial angular momentum at null infinity, which reduces to the standard expression in stationary spacetimes. The general formula for the angular momentum flux carried away by the gravitational radiation is also derived

Investigation of angular and axial smoothing of PET data

International Nuclear Information System (INIS)

Daube-Witherspoon, M.E.; Carson, R.E.

1996-01-01

Radial filtering of emission and transmission data is routinely performed in PET during reconstruction in order to reduce image noise. Angular smoothing is not typically done, due to the introduction of a non-uniform resolution loss; axial filtering is also not usually performed on data acquired in 2D mode. The goal of this paper was to assess the effects of angular and axial smoothing on noise and resolution. Angular and axial smoothing was incorporated into the reconstruction process on the Scanditronix PC2048-15B brain PET scanner. In-plane spatial resolution and noise reduction were measured for different amounts of radial and angular smoothing. For radial positions away from the center of the scanner, noise reduction and degraded tangential resolution with no loss of radial resolution were seen. Near the center, no resolution loss was observed, but there was also no reduction in noise for angular filters up to a 7 degrees FWHM. These results can be understood by considering the combined effects of smoothing projections across rows (angles) and then summing (backprojecting). Thus, angular smoothing is not optimal due to its anisotropic noise reduction and resolution degradation properties. However, uniform noise reduction comparable to that seen with radial filtering can be achieved with axial smoothing of transmission data. The axial results suggest that combined radial and axial transmission smoothing could lead to improved noise characteristics with more isotropic resolution degradation

Secondary ligand-directed assembly of Co(II) coordination polymers based on a pyridine carboxylate ligand

International Nuclear Information System (INIS)

Cao, Ke-Li; Zhang, Yi-Ping; Cai, Yi-Ni; Xu, Xiao-Wei; Feng, Yun-Long

2014-01-01

To investigate the influence of hydrogen bonds and secondary ligands on the structures and properties of the resulting frameworks, five new Co(II) compounds have been synthesized by the reactions of Co(II) salts and 3,5-bis(pyridin-4-ylmethoxy)benzoic acid (HL) with four rationally selected dicarboxylic acid ligands. Without secondary ligand, we got one compound [CoL 2 (H 2 O) 2 ] n ·2nH 2 O (1), which possesses a 1D chain structure. In the presence of ancillary ligands, namely, 1,3-adamantanedicarboxylic acid (H 2 adbc), terephthalic acid (H 2 tpa), thiophene-2,5-dicarboxylic acid (H 2 tdc) and 1,4-benzenedithioacetic acid (H 2 bdtc), four 3D structures [Co 2 L 2 (adbc)] n ·nH 2 O (2), [Co 2 L 2 (tpa)] n (3), [Co 2 L 2 (tdc)] n (4), [Co 2 L 2 (bdtc)(H 2 O)] n (5) were obtained, respectively. It can be observed from the architectures of 1–5 that hydrogen bonds and secondary ligands both have great effects on the spatial connective fashions, resulting in the formation of various dimensional compounds. The XRPD, TGA data of title polymers and the magnetic properties for 2 and 5 have also been investigated. - Graphical abstract: The structural differences show that the ancillary ligands have great effects on the spatial connective fashions, resulting in the formation of various dimensional compounds. - Highlights: • Five new Co(II) coordination polymers have been synthesized by solvothermal reactions based on 3,5-bis(pyridin-4-ylmethoxy)benzoic acid (HL). • The long-flexible ligand (HL) is a good candidate to produce interpenetrating architectures. • The secondary dicarboxylic acid ligands play important roles in the spatial connective fashions and the formation of various dimensional compounds. • The magnetism studies show that both 2 and 5 exhibit antiferromagnetic interactions

On the Angular Momentum Loss of Tropical Cyclones: An f-Plane Approximation

Science.gov (United States)

Kang, Hyun-Gyu; Cheong, Hyeong-Bin; Kim, Won-Ho

2018-02-01

The angular momentum for ideal axisymmetric tropical cyclones on the f-plane is investigated with a focus on the total-volume integrated quantity. Budget analysis of the momentum equation at cylindrical coordinates shows that a tropical cyclone loses angular momentum during its development and mature stages due to the dynamical difference between the viscous inward-flow near the surface and the angular momentum conserving outward-flow aloft. The total relative angular momentum of a tropical cyclone, as a result, can be negative (i.e., implying anticyclonic rotation as a whole) despite intense cyclonic wind in the tropospheric layers. This anticyclonic rotation was measured in terms of the super-rotation ratio, the ratio of total relative angular momentum to the planetary angular momentum. Simulations with the numerical model of Weather Research and Forecasting (WRF) version 3.4.1 was found to be in favor of the theoretical angular-momentum budget analysis. It was revealed in the numerical simulations that the super-rotation ratio was negative, indicating a sub-rotation, as was predicted by analysis. The sub-rotation ratio was found to be less than one percent for typical tropical cyclones. To show the angular momentum decrease even in the decaying stage, numerical simulations where the thermal forcing by sea surface temperature switched off in the mature stage were carried out. In support of the angular momentum budget analysis, the results indicated that the angular momentum also decreases for a while soon after the forcing was eliminated.

The determination of psilocin and psilocybin in hallucinogenic mushrooms by HPLC utilizing a dual reagent acidic potassium permanganate and tris(2,2'-bipyridyl)ruthenium(II) chemiluminescence detection system.

Science.gov (United States)

Anastos, Nicole; Lewis, Simon W; Barnett, Neil W; Sims, D Noel

2006-01-01

This paper describes a procedure for the determination of psilocin and psilocybin in mushroom extracts using high-performance liquid chromatography with postcolumn chemiluminescence detection. A number of extraction methods for psilocin and psilocybin in hallucinogenic mushrooms were investigated, with a simple methanolic extraction being found to be most effective. Psilocin and psilocybin were extracted from a variety of hallucinogenic mushrooms using methanol. The analytes were separated on a C12 column using a (95:5% v/v) methanol:10 mM ammonium formate, pH 3.5 mobile phase with a run time of 5 min. Detection was realized through a dual reagent chemiluminescence detection system of acidic potassium permanganate and tris(2,2'-bipyridyl)ruthenium(II). The chemiluminescence detection system gave improved detectability when compared with UV absorption at 269 nm, with detection limits of 1.2 x 10(-8) and 3.5 x 10(-9) mol/L being obtained for psilocin and psilocybin, respectively. The procedure was applied to the determination of psilocin and psilocybin in three Australian species of hallucinogenic mushroom.

Lidar Orbital Angular Momentum Sensor

Data.gov (United States)

National Aeronautics and Space Administration — The recognition in recent decades that electromagnetic fields have angular momentum (AM) in the form of not only polarization (or spin AM) but also orbital (OAM) has...

Schmidt decomposition for non-collinear biphoton angular wave functions

International Nuclear Information System (INIS)

Fedorov, M V

2015-01-01

Schmidt modes of non-collinear biphoton angular wave functions are found analytically. The experimentally realizable procedure for their separation is described. Parameters of the Schmidt decomposition are used to evaluate the degree of the biphoton's angular entanglement. (paper)

Modeling of the angular dependence of plasma etching

International Nuclear Information System (INIS)

Guo Wei; Sawin, Herbert H.

2009-01-01

An understanding of the angular dependence of etching yield is essential to investigate the origins of sidewall roughness during plasma etching. In this article the angular dependence of polysilicon etching in Cl 2 plasma was modeled as a combination of individual angular-dependent etching yields for ion-initiated processes including physical sputtering, ion-induced etching, vacancy generation, and removal. The modeled etching yield exhibited a maximum at ∼60 degree sign off-normal ion angle at low flux ratio, indicative of physical sputtering. It transformed to the angular dependence of ion-induced etching with the increase in the neutral-to-ion flux ratio. Good agreement between the modeling and the experiments was achieved for various flux ratios and ion energies. The variation of etching yield in response to the ion angle was incorporated in the three-dimensional profile simulation and qualitative agreement was obtained. The surface composition was calculated and compared to x-ray photoelectron spectroscopy (XPS) analysis. The modeling indicated a Cl areal density of 3x10 15 atoms/cm 2 on the surface that is close to the value determined by the XPS analysis. The response of Cl fraction to ion energy and flux ratio was modeled and correlated with the etching yields. The complete mixing-layer kinetics model with the angular dependence effect will be used for quantitative surface roughening analysis using a profile simulator in future work.

Twisted molecular excitons as mediators for changing the angular momentum of light

Science.gov (United States)

Zang, Xiaoning; Lusk, Mark T.

2017-07-01

Molecules with CN or CN h symmetry can absorb quanta of optical angular momentum to generate twisted excitons with well-defined quasiangular momenta of their own. Angular momentum is conserved in such interactions at the level of a paraxial approximation for the light beam. A sequence of absorption events can thus be used to create a range of excitonic angular momenta. Subsequent decay can produce radiation with a single angular momentum equal to that accumulated. Such molecules can thus be viewed as mediators for changing the angular momentum of light. This sidesteps the need to exploit nonlinear light-matter interactions based on higher-order susceptibilities. A tight-binding paradigm is used to verify angular momentum conservation and demonstrate how it can be exploited to change the angular momentum of light. The approach is then extended to a time-dependent density functional theory setting where the key results are shown to hold in a many-body, multilevel setting.

Specific ability of sulfur-ligands on removal of 203Hg-labeled organomercury from hemoglobin in comparison with nitrogen-ligands

International Nuclear Information System (INIS)

Hojo, Yasuji; Sugiura, Yukio; Tanaka, Hisashi

1975-01-01

Removal of 203 Hg-labeled organomercurials, bound to sulfhydryl groups of hemoglobin, by various chelating agents was investigated by the use of equilibrium dialysis. Organomercurials employed were chlormerodrin, methylmercury, ethylmercury and phenylmercury compounds. Higher and more specific effects of the sulfur-ligands, such as penicillamine and glutathione, on removal of organomercurial were found as compared with those of the nitrogen-ligands such as EDTA, glycine and polymethylenediamines. Linear correlation was observed between the degree of organomercury elimination from hemoglobin and the stability constant (log K 1 ) of 1:1 organomercury complex in both the sulfur- and nitrogen-ligand systems and at the same value of log K 1 , the elimination-effect of sulfur-ligands was extremely greater than that of the nitrogen-ligands. The relationship between the average percentage of removal and the Taft's polar substituent constant of organic moiety of the metal was also linear among the organomercury compounds other than chlormerodrin. The average removal percentage by sulfur-ligands increased in the order, ethylmercury>methylmercury>phenylmercury, while that of the nitrogen-ligands was not different among the organomercurials investigated. In addition, direct ligand-exchange reaction between hemoglobin-SH and the ligand coordinating-atom (S or N) against organomercurials rather than Ssub(N2) reaction via the ternary complex, hemoglobin-S-RHg-ligand, is postulated. (auth.)

Helicons in uniform fields. II. Poynting vector and angular momenta

Science.gov (United States)

Stenzel, R. L.; Urrutia, J. M.

2018-03-01

The orbital and spin angular momenta of helicon modes have been determined quantitatively from laboratory experiments. The current density is obtained unambiguously from three dimensional magnetic field measurements. The only approximation made is to obtain the electric field from Hall Ohm's law which is usually the case for low frequency whistler modes. This allows the evaluation of the Poynting vector from which the angular momentum is obtained. Comparing two helicon modes (m = 0 and m = 1), one can separate the contribution of angular momentum of a rotating and non-rotating wave field. The orbital angular momentum is important to assess the wave-particle interaction by the transverse Doppler shift of rotating waves which has not been considered so far.

Ligand cluster-based protein network and ePlatton, a multi-target ligand finder.

Science.gov (United States)

Du, Yu; Shi, Tieliu

2016-01-01

Small molecules are information carriers that make cells aware of external changes and couple internal metabolic and signalling pathway systems with each other. In some specific physiological status, natural or artificial molecules are used to interact with selective biological targets to activate or inhibit their functions to achieve expected biological and physiological output. Millions of years of evolution have optimized biological processes and pathways and now the endocrine and immune system cannot work properly without some key small molecules. In the past thousands of years, the human race has managed to find many medicines against diseases by trail-and-error experience. In the recent decades, with the deepening understanding of life and the progress of molecular biology, researchers spare no effort to design molecules targeting one or two key enzymes and receptors related to corresponding diseases. But recent studies in pharmacogenomics have shown that polypharmacology may be necessary for the effects of drugs, which challenge the paradigm, 'one drug, one target, one disease'. Nowadays, cheminformatics and structural biology can help us reasonably take advantage of the polypharmacology to design next-generation promiscuous drugs and drug combination therapies. 234,591 protein-ligand interactions were extracted from ChEMBL. By the 2D structure similarity, 13,769 ligand emerged from 156,151 distinct ligands which were recognized by 1477 proteins. Ligand cluster- and sequence-based protein networks (LCBN, SBN) were constructed, compared and analysed. For assisting compound designing, exploring polypharmacology and finding possible drug combination, we integrated the pathway, disease, drug adverse reaction and the relationship of targets and ligand clusters into the web platform, ePlatton, which is available at http://www.megabionet.org/eplatton. Although there were some disagreements between the LCBN and SBN, communities in both networks were largely the same

Immobilisation of ligands by radio-derivatized polymers; Immobilisering av ligander med radioderiverte polymerer

Energy Technology Data Exchange (ETDEWEB)

Varga, J.M.; Fritsch, P.

1995-01-30

The invention relates to radio-derivatized polymers and a method of producing them by contacting non-polymerizable conjugands with radiolysable polymers in the presence of irradiation. The resulting radio-derivatized polymers can be further linked with ligand of organic or inorganic nature to immobilize such ligands. 2 figs., 5 tabs.

Angular distributions of ions channeled in the Si crystals

International Nuclear Information System (INIS)

Petrovic, S.; Korica, S.; Kokkoris, M.; Neskovic, N.

2002-01-01

In this study we analyze the angular distributions of Ne 10+ ions channeled in the Si crystals. The ion energy is 60 MeV and the crystal thickness is varied from 286 to 3435 nm. This thickness range corresponds to the reduced crystal thickness range from 0.5 to 6, i.e. from the second to the twelfth rainbow cycle. The angular distributions were obtained via the numerical solution of the ion equations of motion and the computer simulation method. The analysis shows that the angular distribution has a periodic behavior. We also analyze the transmission patterns corresponding to the angular distributions. These patterns should be compared to the experimental patterns obtainable by a two-dimensional position sensitive detector. We demonstrate that, when the ion beam divergence is sufficiently large, i.e. much larger than the critical angle for channeling, the channeling star effect occurs in the transmission patterns

Photodissociation dynamics of gaseous CpCo(CO)2 and ligand exchange reactions of CpCoH2 with C3H4, C3H6, and NH3.

Science.gov (United States)

Oana, Melania; Nakatsuka, Yumiko; Albert, Daniel R; Davis, H Floyd

2012-05-31

The photodissociation dynamics of CpCo(CO)(2) was studied in a molecular beam using photofragment translational energy spectroscopy with 157 nm photoionization detection of the metallic products. At 532 and 355 nm excitation, the dominant one-photon channel involved loss of a single CO ligand producing CpCoCO. The product angular distributions were isotropic, and a large fraction of excess energy appeared as product vibrational excitation. Production of CpCO + 2CO resulted from two-photon absorption processes. The two-photon dissociation of mixtures containing CpCo(CO)(2) and H(2) at the orifice of a pulsed nozzle was used to produce a novel 16-electron unsaturated species, CpCoH(2). Transition metal ligand exchange reactions, CpCoH(2) + L → CpCoL + H(2) (L = propyne, propene, or ammonia), were studied under single-collision conditions for the first time. In all cases, ligand exchange occurred via 18-electron association complexes with lifetimes comparable to their rotational periods. Although ligand exchange reactions were not detected from CpCoH(2) collisions with methane or propane (L = CH(4) or C(3)H(8)), a molecular beam containing CpCoCH(4) was produced by photolysis of mixtures containing CpCo(CO)(2) and CH(4).

Reexamination of fission fragment angular distributions and the fission process: Formalism

International Nuclear Information System (INIS)

Bond, P.D.

1985-01-01

The theory of fission fragment angular distributions is examined and the universally used expression is found to be valid only under restrictive assumptions. A more general angular distribution formula is derived and applied to recent data of high spin systems. At the same time it is shown that the strong anisotropies observed from such systems can be understood without changing the essential basis of standard fission theory. The effects of reaction mechanisms other than complete fusion on fission fragment angular distributions are discussed and possible angular distribution signatures of noncompound nucleus formation are mentioned

Gravitomagnetism and angular momenta of black-holes

OpenAIRE

Marcelo Samuel Berman

2007-01-01

We review the energy contents formulae of Kerr-Newman black-holes, where gravitomagnetic energy term comes into play (Berman 2004, 2006a,b). Then, we obtain the angular momenta formulae, which include the gravitomagnetic effect. Three theorems can be enunciated: (1) No black-hole has its energy confined to its interior; (2) Rotating black-holes do not have confined angular momenta; (3) The energy density of a black-hole is not confined to its interior. The difference between our calculation a...

Reactivity of halide and pseudohalide ligands

International Nuclear Information System (INIS)

Kukushkin, Yu.N.

1987-01-01

Reactivity of halide and pseudohalide (cyanide, azide, thiocyanate, cyanate) ligands tending to form bridge bonds in transition metal (Re, Mo, W) complexes is considered. Complexes where transition metal salts are ligands of other, complex-forming ion, are described. Transformation of innerspheric pseudohalide ligands is an important way of directed synthesis of these metal coordination compounds

Control of Angular Intervals for Angle-Multiplexed Holographic Memory

Science.gov (United States)

Kinoshita, Nobuhiro; Muroi, Tetsuhiko; Ishii, Norihiko; Kamijo, Koji; Shimidzu, Naoki

2009-03-01

In angle-multiplexed holographic memory, the full width at half maximum of the Bragg selectivity curves is dependent on the angle formed between the medium and incident laser beams. This indicates the possibility of high density and high multiplexing number by varying the angular intervals between adjacent holograms. We propose an angular interval scheduling for closely stacking holograms into medium even when the angle range is limited. We obtained bit error rates of the order of 10-4 under the following conditions: medium thickness of 1 mm, laser beam wavelength of 532 nm, and angular multiplexing number of 300.

Angular absorption of iridium - ICW12 needles: practical considerations

International Nuclear Information System (INIS)

Szymczyk, W.; Lesiak, J.

1984-01-01

An analysis was made of two potential sources of error in Ir 192 dosimetry: the effect of angular absorption and the differences in the ionization constants found in literature. Corrections for selfabsorption in the ICW12 iridium source were determined from measurements and calculations. It was found that the decrease in the dose caused by the angular absorption in the central therapeutic area of a typical implantation can exceed 5 percent. The need for employing the concept of ''constant exposure rate'' is stressed as well as that for using angular absorption in the form of absorption. 13 refs., 6 figs., 1 tab. (author)

Metal-ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand

NARCIS (Netherlands)

Eijsink, Linda E; Perdriau, Sébastien C P; de Vries, Johannes G; Otten, Edwin

2016-01-01

The pincer complex (PNN)RuH(CO), with a de-aromatized pyridine in the ligand backbone, is shown to react with nitriles in a metal-ligand cooperative manner. This leads to the formation of a series of complexes with new Ru-N(nitrile) and C(ligand)-C(nitrile) bonds. The initial nitrile cycloaddition

Data compilation of angular distributions of sputtered atoms

International Nuclear Information System (INIS)

Yamamura, Yasunori; Takiguchi, Takashi; Tawara, Hiro.

1990-01-01

Sputtering on a surface is generally caused by the collision cascade developed near the surface. The process is in principle the same as that causing radiation damage in the bulk of solids. Sputtering has long been regarded as an undesirable dirty effect which destroys the cathodes and grids in gas discharge tubes or ion sources and contaminates plasma and the surrounding walls. However, sputtering is used today for many applications such as sputter ion sources, mass spectrometers and the deposition of thin films. Plasma contamination and the surface erosion of first walls due to sputtering are still the major problems in fusion research. The angular distribution of the particles sputtered from solid surfaces can possibly provide the detailed information on the collision cascade in the interior of targets. This report presents a compilation of the angular distribution of sputtered atoms at normal incidence and oblique incidence in the various combinations of incident ions and target atoms. The angular distribution of sputtered atoms from monatomic solids at normal incidence and oblique incidence, and the compilation of the data on the angular distribution of sputtered atoms are reported. (K.I.)

The INCAS Project: An Innovative Contact-Less Angular Sensor

Science.gov (United States)

Ghislanzoni, L.; Di Cintio, A.; Solimando, M.; Parzianello, G.

2013-09-01

Angular Positions sensors are widely used in all spacecrafts, including re-entry vehicles and launchers, where mechanisms and pointing-scanning devices are required. The main applications are on mechanisms for TeleMeasure (TM) related to the release and deployment of devices, or on rotary mechanisms such as Solar Array Drive Mechanism (SADM) and Antenna Pointing Mechanism (APM). Longer lifetime (up to 7- 10 years) is becoming a new driver for the coming missions and contact technology sensors often incur in limitations due to the wear of the contacting parts [1].A Self-Compensating Absolute Angular Encoder was developed and tested in the frame of an ESA's ARTES 5.2 project, named INCAS (INnovative Contact-less Angular Sensor). More in particular, the INCAS sensor addresses a market need for contactless angular sensors aimed at replacing the more conventional rotary potentiometers, while featuring the same level of accuracy performances and extending the expected lifetime.

Bipyridine- and phenanthroline-based metal-organic frameworks for highly efficient and tandem catalytic organic transformations via directed C-H activation

Energy Technology Data Exchange (ETDEWEB)

Manna, Kuntal [Univ. of Chicago, Chicago, IL (United States); Zhang, Teng [Univ. of Chicago, Chicago, IL (United States); Greene, Francis X. [Univ. of Chicago, Chicago, IL (United States); Lin, Wenbin [Univ. of Chicago, Chicago, IL (United States)

2015-02-16

We report here the synthesis of a series of robust and porous bipyridyl- and phenanthryl-based metal–organic frameworks (MOFs) of UiO topology (BPV-MOF, mBPV-MOF, and mPT-MOF) and their postsynthetic metalation to afford highly active single-site solid catalysts. While BPV-MOF was constructed from only bipyridyl-functionalized dicarboxylate linker, both mBPV- and mPT-MOF were built with a mixture of bipyridyl- or phenanthryl-functionalized and unfunctionalized dicarboxylate linkers. The postsynthetic metalation of these MOFs with [Ir(COD)(OMe)]₂ provided Ir-functionalized MOFs (BPV-MOF-Ir, mBPV-MOF-Ir, and mPT-MOF-Ir), which are highly active catalysts for tandem hydrosilylation of aryl ketones and aldehydes followed by dehydrogenative ortho-silylation of benzylicsilyl ethers as well as C–H borylation of arenes using B₂pin₂. Both mBPV-MOF-Ir and mPT-MOF-Ir catalysts displayed superior activities compared to BPV-MOF-Ir due to the presence of larger open channels in the mixed-linker MOFs. Impressively, mBPV-MOF-Ir exhibited high TONs of up to 17000 for C–H borylation reactions and was recycled more than 15 times. The mPT-MOF-Ir system is also active in catalyzing tandem dehydrosilylation/dehydrogenative cyclization of N-methylbenzyl amines to azasilolanes in the absence of a hydrogen acceptor. Importantly, MOF-Ir catalysts are significantly more active (up to 95 times) and stable than their homogeneous counterparts for all three reactions, strongly supporting the beneficial effects of active site isolation within MOFs. This work illustrates the ability to increase MOF open channel sizes by using the mixed linker approach and shows the enormous potential of developing highly active and robust single-site solid catalysts based on MOFs containing nitrogen-donor ligands for important organic transformations.

Towards ligand docking including explicit interface water molecules.

Directory of Open Access Journals (Sweden)

Gordon Lemmon

Full Text Available Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-detail accuracy including position and conformation the ligand but also conformational changes of the protein upon ligand binding. While successful in the majority of cases, docking algorithms including RosettaLigand fail in some cases to predict the correct protein/ligand complex structure. In this study we show that simultaneous docking of explicit interface water molecules greatly improves Rosetta's ability to distinguish correct from incorrect ligand poses. This result holds true for both protein-centric water docking wherein waters are located relative to the protein binding site and ligand-centric water docking wherein waters move with the ligand during docking. Protein-centric docking is used to model 99 HIV-1 protease/protease inhibitor structures. We find protease inhibitor placement improving at a ratio of 9:1 when one critical interface water molecule is included in the docking simulation. Ligand-centric docking is applied to 341 structures from the CSAR benchmark of diverse protein/ligand complexes [1]. Across this diverse dataset we see up to 56% recovery of failed docking studies, when waters are included in the docking simulation.

Angular Distribution of GRBs

Directory of Open Access Journals (Sweden)

L. G. Balázs

2012-01-01

Full Text Available We studied the complete randomness of the angular distribution of BATSE gamma-ray bursts (GRBs. Based on their durations and peak fluxes, we divided the BATSE sample into 5 subsamples (short1, short2, intermediate, long1, long2 and studied the angular distributions separately. We used three methods to search for non-randomness in the subsamples: Voronoi tesselation, minimal spanning tree, and multifractal spectra. To study any non-randomness in the subsamples we defined 13 test-variables (9 from Voronoi tesselation, 3 from the minimal spanning tree and one from the multifractal spectrum. We made Monte Carlo simulations taking into account the BATSE’s sky-exposure function. We tested therandomness by introducing squared Euclidean distances in the parameter space of the test-variables. We recognized that the short1, short2 groups deviate significantly (99.90%, 99.98% from the fully random case in the distribution of the squared Euclidean distances but this is not true for the long samples. In the intermediate group, the squared Euclidean distances also give significant deviation (98.51%.

On Dunkl angular momenta algebra

Energy Technology Data Exchange (ETDEWEB)

Feigin, Misha [School of Mathematics and Statistics, University of Glasgow,15 University Gardens, Glasgow G12 8QW (United Kingdom); Hakobyan, Tigran [Yerevan State University,1 Alex Manoogian, 0025 Yerevan (Armenia); Tomsk Polytechnic University,Lenin Ave. 30, 634050 Tomsk (Russian Federation)

2015-11-17

We consider the quantum angular momentum generators, deformed by means of the Dunkl operators. Together with the reflection operators they generate a subalgebra in the rational Cherednik algebra associated with a finite real reflection group. We find all the defining relations of the algebra, which appear to be quadratic, and we show that the algebra is of Poincaré-Birkhoff-Witt (PBW) type. We show that this algebra contains the angular part of the Calogero-Moser Hamiltonian and that together with constants it generates the centre of the algebra. We also consider the gl(N) version of the subalgebra of the rational Cherednik algebra and show that it is a non-homogeneous quadratic algebra of PBW type as well. In this case the central generator can be identified with the usual Calogero-Moser Hamiltonian associated with the Coxeter group in the harmonic confinement.

Dissociation and Dioxygen Formation in Hydroxide Solutions of Tris (2,2- bipyridyl) Iron (III) and Tris (1,10-phenanthroline) Iron (III)

DEFF Research Database (Denmark)

Nord, G.; Pedersen, B.; Bjergbakke, Erling

1983-01-01

The fast redox reactions of the title Fe(II1) complexes in basic solutions give the Fe(I1) complexes and coordinated ligand N-oxide as primary products. Further reactions by parallel paths include dissociation to give the free ligand N-oxide and catalysis by hydroxy Fe(II1) complexes leading...

Isotropic gates and large gamma detector arrays versus angular distributions

International Nuclear Information System (INIS)

Iacob, V.E.; Duchene, G.

1997-01-01

Angular information extracted from in-beam γ ray measurements are of great importance for γ ray multipolarity and nuclear spin assignments. In our days large Ge detector arrays became available allowing the measurements of extremely weak γ rays in almost 4π sr solid angle (e.g., EUROGAM detector array). Given the high detector efficiency it is common for the mean suppressed coincidence multiplicity to reach values as high as 4 to 6. Thus, it is possible to gate on particular γ rays in order to enhance the relative statistics of a definite reaction channel and/or a definite decaying path in the level scheme of the selected residual nucleus. As compared to angular correlations, the conditioned angular distribution spectra exhibit larger statistics because in the latter the gate-setting γ ray may be observed by all the detectors in the array, relaxing somehow the geometrical restrictions of the angular correlations. Since the in-beam γ ray emission is anisotropic one could inquire that gate setting as mentioned above, based on anisotropic γ ray which would perturb the angular distributions in the unfolded events. As our work proved, there is no reason to worry about this if the energy gate runs over the whole solid angle in an ideal 4π sr detector, i.e., if the gate is isotropic. In real quasi 4π sr detector arrays the corresponding quasi isotropic gate preserves the angular properties of the unfolded data, too. However extraction of precise angular distribution coefficient especially a 4 , requires the consideration of the deviation of the quasi isotropic gate relative to the (ideal) isotropic gate

Heteromodal conceptual processing in the angular gyrus.

Science.gov (United States)

Bonner, Michael F; Peelle, Jonathan E; Cook, Philip A; Grossman, Murray

2013-05-01

Concepts bind together the features commonly associated with objects and events to form networks in long-term semantic memory. These conceptual networks are the basis of human knowledge and underlie perception, imagination, and the ability to communicate about experiences and the contents of the environment. Although it is often assumed that this distributed semantic information is integrated in higher-level heteromodal association cortices, open questions remain about the role and anatomic basis of heteromodal representations in semantic memory. Here we used combined neuroimaging evidence from functional magnetic resonance imaging (fMRI) and diffusion tensor imaging (DTI) to characterize the cortical networks underlying concept representation. Using a lexical decision task, we examined the processing of concepts in four semantic categories that varied on their sensory-motor feature associations (sight, sound, manipulation, and abstract). We found that the angular gyrus was activated across all categories regardless of their modality-specific feature associations, consistent with a heteromodal account for the angular gyrus. Exploratory analyses suggested that categories with weighted sensory-motor features additionally recruited modality-specific association cortices. Furthermore, DTI tractography identified white matter tracts connecting these regions of modality-specific functional activation with the angular gyrus. These findings are consistent with a distributed semantic network that includes a heteromodal, integrative component in the angular gyrus in combination with sensory-motor feature representations in modality-specific association cortices. Copyright © 2013 Elsevier Inc. All rights reserved.

AngularJS in the Wild: A Survey with 460 Developers

OpenAIRE

Ramos, Miguel; Valente, Marco Tulio; Terra, Ricardo; Santos, Gustavo

2016-01-01

To implement modern web applications, a new family of JavaScript frameworks has emerged, using the MVC pattern. Among these frameworks, the most popular one is AngularJS, which is supported by Google. In spite of its popularity, there is not a clear knowledge on how AngularJS design and features affect the development experience of Web applications. Therefore, this paper reports the results of a survey about AngularJS, including answers from 460 developers. Our contributions include the ident...

Measurement crankshaft angular speed of an OM403 engine

Directory of Open Access Journals (Sweden)

Biočanin Stojko

2017-01-01

Full Text Available In this paper, the methodology of the measurement of the angular speed of the crankshaft of a ten-cylinder diesel OM403 engine is presented, with regular and irregular engine operation. The angular velocity was measured under laboratory conditions, on already installed measuring equipment from the laboratory and on the break of a well known brand-Schenck, by using an optoelectronic incremental rotary encoder, a data acquisition module and the LabVIEW software for synchronization and management of the measuring equipment. The goal of this paper is to give a practical contribution to researches of measuring of crankshaft angular speed of the crankshaft engine OM 403.

Crystallization of bi-functional ligand protein complexes.

Science.gov (United States)

Antoni, Claudia; Vera, Laura; Devel, Laurent; Catalani, Maria Pia; Czarny, Bertrand; Cassar-Lajeunesse, Evelyn; Nuti, Elisa; Rossello, Armando; Dive, Vincent; Stura, Enrico Adriano

2013-06-01

Homodimerization is important in signal transduction and can play a crucial role in many other biological systems. To obtaining structural information for the design of molecules able to control the signalization pathways, the proteins involved will have to be crystallized in complex with ligands that induce dimerization. Bi-functional drugs have been generated by linking two ligands together chemically and the relative crystallizability of complexes with mono-functional and bi-functional ligands has been evaluated. There are problems associated with crystallization with such ligands, but overall, the advantages appear to be greater than the drawbacks. The study involves two matrix metalloproteinases, MMP-12 and MMP-9. Using flexible and rigid linkers we show that it is possible to control the crystal packing and that by changing the ligand-enzyme stoichiometric ratio, one can toggle between having one bi-functional ligand binding to two enzymes and having the same ligand bound to each enzyme. The nature of linker and its point of attachment on the ligand can be varied to aid crystallization, and such variations can also provide valuable structural information about the interactions made by the linker with the protein. We report here the crystallization and structure determination of seven ligand-dimerized complexes. These results suggest that the use of bi-functional drugs can be extended beyond the realm of protein dimerization to include all drug design projects. Copyright © 2013 Elsevier Inc. All rights reserved.

Autocrine signal transmission with extracellular ligand degradation

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Muratov, C B; Posta, F; Shvartsman, S Y

2009-03-01

Traveling waves of cell signaling in epithelial layers orchestrate a number of important processes in developing and adult tissues. These waves can be mediated by positive feedback autocrine loops, a mode of cell signaling where binding of a diffusible extracellular ligand to a cell surface receptor can lead to further ligand release. We formulate and analyze a biophysical model that accounts for ligand-induced ligand release, extracellular ligand diffusion and ligand-receptor interaction. We focus on the case when the main mode for ligand degradation is extracellular and analyze the problem with the sharp threshold positive feedback nonlinearity. We derive expressions that link the speed of propagation and other characteristics of traveling waves to the parameters of the biophysical processes, such as diffusion rates, receptor expression level, etc. Analyzing the derived expressions we found that traveling waves in such systems can exhibit a number of unusual properties, e.g. non-monotonic dependence of the speed of propagation on ligand diffusivity. Our results for the fully developed traveling fronts can be used to analyze wave initiation from localized perturbations, a scenario that frequently arises in the in vitro models of epithelial wound healing, and guide future modeling studies of cell communication in epithelial layers.

Cell-specific targeting by heterobivalent ligands.

Science.gov (United States)

Josan, Jatinder S; Handl, Heather L; Sankaranarayanan, Rajesh; Xu, Liping; Lynch, Ronald M; Vagner, Josef; Mash, Eugene A; Hruby, Victor J; Gillies, Robert J

2011-07-20

Current cancer therapies exploit either differential metabolism or targeting to specific individual gene products that are overexpressed in aberrant cells. The work described herein proposes an alternative approach--to specifically target combinations of cell-surface receptors using heteromultivalent ligands ("receptor combination approach"). As a proof-of-concept that functionally unrelated receptors can be noncovalently cross-linked with high avidity and specificity, a series of heterobivalent ligands (htBVLs) were constructed from analogues of the melanocortin peptide ligand ([Nle(4), dPhe(7)]-α-MSH) and the cholecystokinin peptide ligand (CCK-8). Binding of these ligands to cells expressing the human Melanocortin-4 receptor and the Cholecystokinin-2 receptor was analyzed. The MSH(7) and CCK(6) were tethered with linkers of varying rigidity and length, constructed from natural and/or synthetic building blocks. Modeling data suggest that a linker length of 20-50 Å is needed to simultaneously bind these two different G-protein coupled receptors (GPCRs). These ligands exhibited up to 24-fold enhancement in binding affinity to cells that expressed both (bivalent binding), compared to cells with only one (monovalent binding) of the cognate receptors. The htBVLs had up to 50-fold higher affinity than that of a monomeric CCK ligand, i.e., Ac-CCK(6)-NH(2). Cell-surface targeting of these two cell types with labeled heteromultivalent ligand demonstrated high avidity and specificity, thereby validating the receptor combination approach. This ability to noncovalently cross-link heterologous receptors and target individual cells using a receptor combination approach opens up new possibilities for specific cell targeting in vivo for therapy or imaging.

Studying AGN Jets At Extreme Angular Resolution

Science.gov (United States)

Bruni, Gabriele

2016-10-01

RadioAstron is a 10m antenna orbiting on the Russian Speckt-R spacecraft, launched in 2011. Performing radio interferometry with a global array of ground telescopes, it is providing record angular resolution. The Key Science Project on AGN polarization is exploiting it to study in great detail the configuration of magnetic fields in AGN jets, and understand their formation and collimation. To date, the project has already achieved the highest angular resolution image ever obtained in Astronomy, and detected brightness temperatures exceeding the ones predicted by theory of AGN.

Influence of different ruthenium(II) bipyridyl complex on the photocatalytic H{sub 2} evolution over TiO{sub 2} nanoparticles with mesostructures

Energy Technology Data Exchange (ETDEWEB)

Peng, Tianyou [College of Chemistry and Molecular Science, Wuhan University, Wuhan 430072 (China); Hubei Key Laboratory for Catalysis and Material Science, College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074 (China); Ke, Dingning; Cai, Ping; Dai, Ke; Ma, Liang; Zan, Ling [College of Chemistry and Molecular Science, Wuhan University, Wuhan 430072 (China)

2008-05-15

H{sub 2} production over dye-sensitized Pt/TiO{sub 2} nanoparticles with mesostructures (m-TiO{sub 2}) under visible light ({lambda} > 420 nm) was investigated by using methanol as electron donors. Experimental results indicate that three types of ruthenium(II) bipyridyl complex dyes (one binuclear Ru, two mononuclear Ru), which can be attached to Pt/m-TiO{sub 2} with different linkage modes, show different photosensitization effects due to their different coordination circumstances and physicochemical properties. The dye tightly linked with m-TiO{sub 2} has better durability but the lowest H{sub 2} evolution efficiency, whereas the loosely attached dyes possess higher H{sub 2} evolution efficiency and preferable durability. It seems that the dynamic equilibrium between the linkage of the ground state dye with TiO{sub 2} and the divorce of the oxidization state dye from the surfaces plays a crucial role in the photochemical behavior during the photocatalyst sensitization process. It is helpful to improve the H{sub 2} evolution efficiency by enhancing the electron injection and hindering the backward transfer. The binuclear Ru(II) dye shows a better photosensitization in comparison with mononuclear Ru(II) dyes due to its large molecular area, conjugation system, and ''antenna effect'', which, in turn, improve the visible light harvesting and electron transfer between the dye molecules and TiO{sub 2}. (author)

Interpreting angular momentum transfer between electromagnetic multipoles using vector spherical harmonics.

Science.gov (United States)

Grinter, Roger; Jones, Garth A

2018-02-01

The transfer of angular momentum between a quadrupole emitter and a dipole acceptor is investigated theoretically. Vector spherical harmonics are used to describe the angular part of the field of the mediating photon. Analytical results are presented for predicting angular momentum transfer between the emitter and absorber within a quantum electrodynamical framework. We interpret the allowability of such a process, which appears to violate conservation of angular momentum, in terms of the breakdown of the isotropy of space at the point of photon absorption (detection). That is, collapse of the wavefunction results in loss of all angular momentum information. This is consistent with Noether's Theorem and demystifies some common misconceptions about the nature of the photon. The results have implications for interpreting the detection of photons from multipole sources and offers insight into limits on information that can be extracted from quantum measurements in photonic systems.

Mixed-ligand Pt(II) dithione-dithiolato complexes: influence of the dicyanobenzodithiolato ligand on the second-order NLO properties.

Science.gov (United States)

Espa, Davide; Pilia, Luca; Marchiò, Luciano; Artizzu, Flavia; Serpe, Angela; Mercuri, Maria Laura; Simão, Dulce; Almeida, Manuel; Pizzotti, Maddalena; Tessore, Francesca; Deplano, Paola

2012-03-28

The mixed-ligand dithiolene complex [Pt(Bz(2)pipdt)(dcbdt)] (1) bearing the two ligands Bz(2)pipdt = 1,4-dibenzyl-piperazine-3,2-dithione and dcbdt = dicyanobenzodithiolato, has been synthesized, characterized and studied to evaluate its second-order optical nonlinearity. The dithione/dithiolato character of the two ligands gives rise to an asymmetric distribution of the charge in the molecule. This is reflected by structural data showing that in the C(2)S(2)PtS(2)C(2) dithiolene core the four sulfur atoms define a square-planar coordination environment of the metal where the Pt-S bond distances involving the two ligands are similar, while the C-S bond distances in the C(2)S(2) units exhibit a significant difference in Bz(2)pipdt (dithione) and dcbdt (dithiolato). 1 shows a moderately strong absorption peak in the visible region, which can be related to a HOMO-LUMO transition, where the dcbdt ligand (dithiolato) contributes mostly to the HOMO, and the Bz(2)pipdt one (dithione) mostly to the LUMO. Thus this transition has ligand-to-ligand charge transfer (CT) character with some contribution of the metal and undergoes negative solvatochromism and molecular quadratic optical nonlinearity (μβ(0) = -1296 × 10(-48) esu), which was determined by the EFISH (electric-field-induced second-harmonic generation) technique and compared with the values of similar complexes on varying the dithiolato ligand (mnt = maleonitriledithiolato, dmit = 2-thioxo-1,3-dithiole-4,5-dithiolato). Theoretical calculations help to elucidate the role of the dithiolato ligands in affecting the molecular quadratic optical nonlinearity of these complexes.

Positron annihilation and perturbed angular correlation studies of radiation damage

International Nuclear Information System (INIS)

Zhu Jiazheng; Li Anli; Xu Yongjun; Wang Zhiqiang; Zhou Dongmei; Zheng Yongnan; Zhu Shengyun; Iwata, T.

2002-01-01

The positron annihilation and perturbed angular correlation techniques have been employed to study radiation damage in Si and Nb. The results obtained by the positron annihilation are consistent with those given by the perturbed angular correlation

Analysis of angular momentum properties of photons emitted in fundamental atomic processes

Science.gov (United States)

Zaytsev, V. A.; Surzhykov, A. S.; Shabaev, V. M.; Stöhlker, Th.

2018-04-01

Many atomic processes result in the emission of photons. Analysis of the properties of emitted photons, such as energy and angular distribution as well as polarization, is regarded as a powerful tool for gaining more insight into the physics of corresponding processes. Another characteristic of light is the projection of its angular momentum upon propagation direction. This property has attracted a special attention over the past decades due to studies of twisted (or vortex) light beams. Measurements being sensitive to this projection may provide valuable information about the role of angular momentum in the fundamental atomic processes. Here we describe a simple theoretical method for determination of the angular momentum properties of the photons emitted in various atomic processes. This method is based on the evaluation of expectation value of the total angular momentum projection operator. To illustrate the method, we apply it to the textbook examples of plane-wave, spherical-wave, and Bessel light. Moreover, we investigate the projection of angular momentum for the photons emitted in the process of the radiative recombination with ionic targets. It is found that the recombination photons do carry a nonzero projection of the orbital angular momentum.

Perturbed angular correlation

International Nuclear Information System (INIS)

Fabris, J.D.

1977-01-01

The electric quadrupolar interaction in some hafnium complexes, measured at the metal nucleus level is studied. For that purpose, the technique of γ-γ perturbed angular correlation is used: the frequencies of quadrupolar interaction are compared with some hafnium α-hydroxicarboxilates, namely glycolate, lactate, mandelate and benzylate; the influence of the temperature on the quadrupolar coupling on the hafnium tetramandelate is studied; finally, the effects associated with the capture of thermal neutrons by hafnium tetramandelate are examined locally at the nuclear level. The first group of results shows significant differences in a series of complexes derived from glycolic acid. On the other hand, the substitution of the protons in hafnium tetramandelate structure by some alkaline cations permits to verify a correlation between the variations in the quadrupolar coupling and the electronegativities of the substituent elements. Measurements at high temperatures show that this complex is thermally stable at 100 and 150 0 C. It is possible to see the appearance of two distinct sites for the probe nucleus, after heating the sample at 100 0 C for prolonged time. This fact is attributed to a probable interconversion among the postulated structural isomers for the octacoordinated compounds. Finally, measurements of angular correlation on the irradiated complex show that there is an effective destruction of the target molecule by neutron capture [pt

Role of ligands in permanganate oxidation of organics.

Science.gov (United States)

Jiang, Jin; Pang, Su-Yan; Ma, Jun

2010-06-01

We previously demonstrated that several ligands such as phosphate, pyrophosphate, EDTA, and humic acid could significantly enhance permanganate oxidation of triclosan (one phenolic biocide), which was explained by the contribution of ligand-stabilized reactive manganese intermediates in situ formed upon permanganate reduction. To further understand the underlying mechanism, we comparatively investigated the influence of ligands on permanganate oxidation of bisphenol A (BPA, one phenolic endocrine-disrupting chemical), carbamazepine (CBZ, a pharmaceutical containing the olefinic group), and methyl p-tolyl sulfoxide (TMSO, a typical oxygen-atom acceptor). Selected ligands exerted oxidation enhancement for BPA but had negligible influence for CBZ and TMSO. This was mainly attributed to the effects of identified Mn(III) complexes, which would otherwise disproportionate spontaneously in the absence of ligands. The one-electron oxidant Mn(III) species exhibited no reactivity toward CBZ and TMSO for which the two-electron oxygen donation may be the primary oxidation mechanism but readily oxidized BPA. The latter case was a function of pH, the complexing ligand, and the molar [Mn(III)]:[ligand] ratio, generally consistent with the patterns of ligand-affected permanganate oxidation. Moreover, the combination of the one-electron reduction of Mn(III) (Mn(III) + e(-) -->Mn(II)) and the Mn(VII)/Mn(II) reaction in excess ligands (Mn(VII) + 4Mn(II) ----> (ligands) 5Mn(III)) suggested a catalytic role of the Mn(III)/Mn(II) pair in permanganate oxidation of some phenolics in the presence of ligands.

Angular Spacing Control for Segmented Data Pages in Angle-Multiplexed Holographic Memory

Science.gov (United States)

Kinoshita, Nobuhiro; Muroi, Tetsuhiko; Ishii, Norihiko; Kamijo, Koji; Kikuchi, Hiroshi; Shimidzu, Naoki; Ando, Toshio; Masaki, Kazuyoshi; Shimizu, Takehiro

2011-09-01

To improve the recording density of angle-multiplexed holographic memory, it is effective to increase the numerical aperture of the lens and to shorten the wavelength of the laser source as well as to increase the multiplexing number. The angular selectivity of a hologram, which determines the multiplexing number, is dependent on the incident angle of not only the reference beam but also the signal beam to the holographic recording medium. The actual signal beam, which is a convergent or divergent beam, is regarded as the sum of plane waves that have different propagation directions, angular selectivities, and optimal angular spacings. In this paper, focusing on the differences in the optimal angular spacing, we proposed a method to control the angular spacing for each segmented data page. We investigated the angular selectivity of a hologram and crosstalk for segmented data pages using numerical simulation. The experimental results showed a practical bit-error rate on the order of 10-3.

Angular dependence of EEDF in ion-beam plasma

International Nuclear Information System (INIS)

Dudin, S.V.

1995-01-01

In a previous paper the results of measurements of electron energy distribution function (EEDF) in ion-beam plasma created by low energy broad ion beam had been presented regardless of the angular dependence of the electron distribution. The present work is specifically aimed towards elucidating the spatial structure of the EEDF in the ion-beam plasma. To solve this problem combination of the techniques of cylindrical probe, large plate probe (5 x 5 mm) and two-grid enegoanalyzer was used. Directional operation of the probes makes possible measurement of angular dependence of electron distribution function which is anisotropic in high energy region. To optimize the construction of the probe-analyzer, experiments with grids were performed, which had different size, mesh, and transparency, under different potentials, and with different distances between grids. Numerical simulation of the analyzer was performed too. It is derived that optimal design for measurements in isotropic plasma is the most plate, thin two-grid probe with maximum angular covering. Investigation of angular dependence of EEDF has shown that the distribution of trapped electrons is completely isotropic, whereas in the energy range of var-epsilon > e var-phi pl (var-phi pl - plasma potential) a strong anisotropy of the EEDF is observed

Solution of neutron transport equation using Daubechies' wavelet expansion in the angular discretization

International Nuclear Information System (INIS)

Cao Liangzhi; Wu Hongchun; Zheng Youqi

2008-01-01

Daubechies' wavelet expansion is introduced to discretize the angular variables of the neutron transport equation when the neutron angular flux varies very acutely with the angular directions. An improvement is made by coupling one-dimensional wavelet expansion and discrete ordinate method to make two-dimensional angular discretization efficient and stable. The angular domain is divided into several subdomains for treating the vacuum boundary condition exactly in the unstructured geometry. A set of wavelet equations coupled with each other is obtained in each subdomain. An iterative method is utilized to decouple the wavelet moments. The numerical results of several benchmark problems demonstrate that the wavelet expansion method can provide more accurate results by lower-order expansion than other angular discretization methods

Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data

Energy Technology Data Exchange (ETDEWEB)

Mohanty, Biswaranjan; Williams, Martin L.; Doak, Bradley C.; Vazirani, Mansha; Ilyichova, Olga [Monash University, Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences (Australia); Wang, Geqing [La Trobe University, La Trobe Institute for Molecular Bioscience (Australia); Bermel, Wolfgang [Bruker Biospin GmbH (Germany); Simpson, Jamie S.; Chalmers, David K. [Monash University, Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences (Australia); King, Glenn F. [The University of Queensland, Institute for Molecular Bioscience (Australia); Mobli, Mehdi, E-mail: m.mobli@uq.edu.au [The University of Queensland, Centre for Advanced Imaging (Australia); Scanlon, Martin J., E-mail: martin.scanlon@monash.edu [Monash University, Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences (Australia)

2016-11-15

We describe a general approach to determine the binding pose of small molecules in weakly bound protein–ligand complexes by deriving distance constraints between the ligand and methyl groups from all methyl-containing residues of the protein. We demonstrate that using a single sample, which can be prepared without the use of expensive precursors, it is possible to generate high-resolution data rapidly and obtain the resonance assignments of Ile, Leu, Val, Ala and Thr methyl groups using triple resonance scalar correlation data. The same sample may be used to obtain Met {sup ε}CH{sub 3} assignments using NOESY-based methods, although the superior sensitivity of NOESY using [U-{sup 13}C,{sup 15}N]-labeled protein makes the use of this second sample more efficient. We describe a structural model for a weakly binding ligand bound to its target protein, DsbA, derived from intermolecular methyl-to-ligand nuclear Overhauser enhancements, and demonstrate that the ability to assign all methyl resonances in the spectrum is essential to derive an accurate model of the structure. Once the methyl assignments have been obtained, this approach provides a rapid means to generate structural models for weakly bound protein–ligand complexes. Such weak complexes are often found at the beginning of programs of fragment based drug design and can be challenging to characterize using X-ray crystallography.

Initial angular momentum and flow in high energy nuclear collisions

Science.gov (United States)

Fries, Rainer J.; Chen, Guangyao; Somanathan, Sidharth

2018-03-01

We study the transfer of angular momentum in high energy nuclear collisions from the colliding nuclei to the region around midrapidity, using the classical approximation of the color glass condensate (CGC) picture. We find that the angular momentum shortly after the collision (up to times ˜1 /Qs , where Qs is the saturation scale) is carried by the "β -type" flow of the initial classical gluon field, introduced by some of us earlier. βi˜μ1∇iμ2-μ2∇iμ1 (i =1 ,2 ) describes the rapidity-odd transverse energy flow and emerges from Gauss's law for gluon fields. Here μ1 and μ2 are the averaged color charge fluctuation densities in the two nuclei, respectively. Interestingly, strong coupling calculations using anti-de Sitter/conformal field theory (AdS/CFT) techniques also find an energy flow term featuring this particular combination of nuclear densities. In classical CGC the order of magnitude of the initial angular momentum per rapidity in the reaction plane, at a time 1 /Qs , is |d L2/d η |≈ RAQs-3ɛ¯0/2 at midrapidity, where RA is the nuclear radius, and ɛ¯0 is the average initial energy density. This result emerges as a cancellation between a vortex of energy flow in the reaction plane aligned with the total angular momentum, and energy shear flow opposed to it. We discuss in detail the process of matching classical Yang-Mills results to fluid dynamics. We will argue that dissipative corrections should not be discarded to ensure that macroscopic conservation laws, e.g., for angular momentum, hold. Viscous fluid dynamics tends to dissipate the shear flow contribution that carries angular momentum in boost-invariant fluid systems. This leads to small residual angular momentum around midrapidity at late times for collisions at high energies.

Angular dependence of Auger signals from a GaAs (111) surface

International Nuclear Information System (INIS)

Barnard, W.O.

1984-03-01

This dissertation is concerned with the angular dependence of the L 3 M 4 M 4 1067 eV Ga and L 3 M 4 M 4 1228 eV As Auger electron signals from a (111) GaAs surface, using a system which is equipped with a cylindrical mirror analyser. Following a detailed discussion of the Auger process, a review is given of angular effects in the emission excitation and detection of Auger signals. Present theories are discussed and an empirical theory is developed to test the experimental results obtained in this study. The experimental procedures and equipment used are presented. It was found that the Auger signals show a strong variation with the angle of rotation about the normal of a GaAs surface. Furthermore, the nature of the angular spectra of the Ga and As signals are interchanged when the electron beam incident surface is changed from (111) to (111). The main features of the angular variation of the quasi-elastic backscattered signal is reflected in the corresponding Ga and As Auger angular spectra. The angular dependence of the quasi-elastic backscattered signal can be explained semi-quantitatively in terms of the empirical theory. Theoretical arguments are presented which suggest that the Auger signals should show an angular dependence similar to the quasi-elastic backscattered signal. Evidence was found that geometric screening-off of underlying atoms by surface and near surface atoms influence the Auger yield

Radiation induced ligand loss from cobalt complexes

International Nuclear Information System (INIS)

Funston, A. M.; McFadyen, W.D.; Tregloan, P.A.

2000-01-01

Full text: Due to the rapid nature of ligand dissociation from cobalt(II) complexes the study of the rate of ligand dissociation necessitates the use of a technique such as pulse radiolysis. This allows the rapid reduction of the corresponding cobalt(III) complex by a reducing radical, such as the aquated electron, to form the cobalt(II) complex. However, to date, no systematic study of either the mechanism of reduction or the influence of the electronic structure on the rate of ligand dissociation has been carried out. In order to understand these processes more fully the mechanism of reduction of a range of related cobalt(III) complexes by the aquated electron and the subsequent rate of ligand dissociation from the resulting cobalt(II) complexes is being investigated. It has been found that a number of processes are observed following the initial rapid reaction of the cobalt(III) complex with the aquated electron. Ultimately ligand loss is observed. Depending upon the complex, the initial processes observed may include the formation of coordinated radicals and electron transfer within the complex. For complexes containing aromatic ligands such as 2,2'-bipyridine, 1,10-phenanthroline and dipyrido[3,2-a:2',3'-c]phenazine the formation of a coordinated radical is observed as the initial reduction step. The kinetics of ligand dissociation of these complexes has been determined. The loss of monodentate ligands is fast and has been indistinguishable from the reduction processes when aromatic ligands are also present in the complex. However, for diamine chelates and diimine chelates spectra of the transient species can be resolved

Depth of origin and angular spectrum of sputtered atoms

International Nuclear Information System (INIS)

Vicanek, M.; Jimenez Rodriguez, J.J.; Sigmund, P.

1989-01-01

A theoretical analysis is presented of the depth of origin of atoms sputtered from a random target. The physical model aims at high energy sputtering under linear cascade conditions and assumes a dilute source of recoil atoms. The initial distribution of the recoils is assumed isotropic, and their energy distribution is E -2 like without an upper or lower cutoff. The scattering medium is either infinite or bounded by a plane surface. Atoms scatter according to the m=0 power cross section. Electronic stopping is ignored. The sputtered flux, differential in depth of origin, ejection energy and ejection angle has been evaluated by Monte Carlo simulation and by five distinct methods of solution of the linear Boltzmann equation reaching from continuous slowing down neglecting angular scattering to the P 3 approximation and a Gram-Charlier expansion going over spatial moments. The continuous slowing down approximation used in previous work leads to results that are identical to those found from a scheme that only ignores angular scattering but allows for energy loss straggling. Moreover, these predictions match more closely with the Monte Carlo results than any of the approximate analytical schemes that take account of angular scattering. The results confirm the common assertion that the depth of origin of sputtered atoms is determined mainly by the stopping of low energy recoil atoms. The effect of angular scattering turns out to be astonishingly small. The distributions in depth of origin, energy, and angle do not depend significantly on whether the scattering medium is a halfspace or an infinite medium with a reference plane. The angular spectrum comes out only very slightly over cosine from the model as it stands, in agreement with previous experience, but comments are made on essential features that are not incorporated in the physical model but might influence the angular spectrum. (orig./WL)

Physics from angular projection of rectangular grids

International Nuclear Information System (INIS)

Singh, Ashmeet

2015-01-01

In this paper, we present a mathematical model for the angular projection of a rectangular arrangement of points in a grid. This simple yet interesting, problem has both scholarly value and applications for data extraction techniques to study the physics of various systems. Our work may help undergraduate students to understand subtle points in the angular projection of a grid and describes various quantities of interest in the projection with completeness and sufficient rigour. We show that for certain angular ranges, the projection has non-distinctness, and calculate the details of such angles, and correspondingly, the number of distinct points and the total projected length. We focus on interesting trends obtained for the projected length of the grid elements and present a simple application of the model to determine the geometry of an unknown grid whose spatial extensions are known, using measurement of the grid projection at two angles only. Towards the end, our model is shown to have potential applications in various branches of physical sciences, including crystallography, astrophysics, and bulk properties of materials. (paper)

Regulation mechanisms of the FLT3-ligand after irradiation; Mecanismes de regulation du FLT3-ligand apres irradiation

Energy Technology Data Exchange (ETDEWEB)

Prat-Lepesant, M

2005-06-15

The hematopoietic compartment is one of the most severely damaged after chemotherapy, radiotherapy or accidental irradiations. Whatever its origin, the resulting damage to the bone marrow remains difficult to evaluate. Thus, it would be of great interest to get a biological indicator of residual hematopoiesis in order to adapt the treatment to each clinical situation. Recent results indicated that the plasma Flt3 ligand concentration was increased in patients suffering from either acquired or induced aplasia, suggesting that Flt3 ligand might be useful as a biological indicator of bone marrow status. We thus followed in a mouse model as well as in several clinical situations the variations in plasma Flt3 ligand concentration, after either homogeneous or heterogeneous irradiations. These variations were correlated to the number of hematopoietic progenitors and to other parameters such as duration and depth of pancytopenia. The results indicated that the concentration of Flt3 ligand in the blood reflects the bone marrow status, and that the follow-up of plasma Flt3 ligand concentration could give predictive information about the bone marrow function and the duration and severity of pancytopenia and thrombocytopenia. Nevertheless, the clinical use of Flt3 ligand as a biological indicator of bone marrow damage require the knowledge of the mechanisms regulating the variations in plasma Flt3 ligand concentration. We thus developed a study in the mouse model. The results indicated that the variations in plasma Flt3 ligand variations were not solely due to a balance between its production by lymphoid cells and its consumption by hematopoietic cells. Moreover, we showed that T lymphocytes are not the main regulator of plasma Flt3 ligand concentration as previously suggested, and that other cell types, possibly including bone marrow stromal cells, might be strongly implicated. These results also suggest that the Flt3 ligand is a main systemic regulator of hematopoiesis

Optical Torque Wrench: Angular Trapping, Rotation, and Torque Detection of Quartz Microparticles

Science.gov (United States)

La Porta, Arthur; Wang, Michelle D.

2004-05-01

We describe an apparatus that can measure the instantaneous angular displacement and torque applied to a quartz particle which is angularly trapped. Torque is measured by detecting the change in angular momentum of the transmitted trap beam. The rotational Brownian motion of the trapped particle and its power spectral density are used to determine the angular trap stiffness. The apparatus features a feedback control that clamps torque or other rotational quantities. The torque sensitivity demonstrated is ideal for the study of known biological molecular motors.

Synthesis and characterization of mixed ligand chiral nanoclusters

KAUST Repository

Guven, Zekiye P.; Ustbas, Burcin; Harkness, Kellen M.; Coskun, Hikmet; Joshi, Chakra Prasad; Besong, Tabot M.D.; Stellacci, Francesco; Bakr, Osman; Akbulut, Ozge

2016-01-01

Chiral mixed ligand silver nanoclusters were synthesized in the presence of a chiral and an achiral ligand. While the chiral ligand led mostly to the formation of nanoparticles, the presence of the achiral ligand drastically increased the yield of nanoclusters with enhanced chiral properties. © 2016 The Royal Society of Chemistry.

Synthesis and characterization of mixed ligand chiral nanoclusters

KAUST Repository

Guven, Zekiye P.

2016-06-22

Chiral mixed ligand silver nanoclusters were synthesized in the presence of a chiral and an achiral ligand. While the chiral ligand led mostly to the formation of nanoparticles, the presence of the achiral ligand drastically increased the yield of nanoclusters with enhanced chiral properties. © 2016 The Royal Society of Chemistry.

Identifying Marine Copper-Binding Ligands in Seawater

Science.gov (United States)

Whitby, H.; Hollibaugh, J. T.; Maldonado, M. T.; Ouchi, S.; van den Berg, S. M.

2016-02-01

Complexation reactions are important because they affect the bioavailability of trace metals such as copper and iron. For example, organic complexation can determine whether copper is a limiting or a toxic micronutrient at natural levels. Copper competes with iron for complexing ligands, and when iron is limiting, copper can also substitute for iron in some metabolic pathways. The speciation of copper can be measured using complexing capacity titrations, which provide the concentration of individual ligand classes (L1, L2 etc.) and the complex stabilities (log K). Using methods recently developed in our laboratory, we show that the ligands within these classes can be measured independently of titrations, thus confirming the titration method and simultaneously identifying the ligands within each class. Thiols were identified as the L1 ligand class and humic compounds as the weaker L2 class in samples from coastal Georgia, USA, collected monthly from April to December. Log K values of the ligand complexes were consistent with values expected for thiols and humic substances. Recent results from culture studies and from samples collected along Line P, a coastal - oceanic transect in the HNLC region of the NE subarctic Pacific, will be presented in comparison to the estuarine results. This comparison will help to broaden our perspective on copper complexation and the ligands responsible, furthering our understanding of ligand sources and life cycles.

One-step immobilization of tris(2,2'-bipyridyl)ruthenium(II) via vapor-surface sol-gel deposition towards solid-state electrochemiluminescence detection

International Nuclear Information System (INIS)

Qian Lei; Yang Xiurong

2008-01-01

A novel method for immobilization of tris(2,2'-bipyridyl)ruthenium(II) (Ru(bpy) 3 Cl 2 ) on electrode surfaces based on the vapor-surface sol-gel deposition strategy is first demonstrated in this paper. Ru(bpy) 3 Cl 2 immobilized sol-gel (Ru(bpy) 3 Cl 2 /sol-gel) films were characterized by UV-vis spectroscopy and field-emitted scanning electron microscopy (FE-SEM). These results showed that Ru(bpy) 3 Cl 2 was successfully incorporated into the silica sol-gel film. It was found that many irregular Ru(bpy) 3 Cl 2 /sol-gel clusters were formed on surfaces through one deposition and thick sol-gel films were observed after further deposition. Electrochemical properties and electrochemiluminescence (ECL) behaviors of Ru(bpy) 3 Cl 2 /sol-gel films could be easily adjusted by deposition numbers and time. At last, the Ru(bpy) 3 Cl 2 /sol-gel film modified electrode was used for solid-state ECL detection of tripropylamine. The linear range was from 5.8 x 10 -8 to 2.4 x 10 -4 M with the detection limit of 5 nM, which was three orders of magnitude lower than that from pure Nafion-modified electrodes. The ECL sensor also exhibited high stability, and still remained 92% response after being stored in air for 35 days. This method for immobilization of Ru(bpy) 3 Cl 2 is simple, convenient and low-cost relative to others, so it shows promising applications in solid-state ECL detection

Angular distribution of atoms ejected by laser ablation of different metals

International Nuclear Information System (INIS)

Konomi, I.; Motohiro, T.; Asaoka, T.

2009-01-01

Angular distributions of 13 different metals ejected by laser ablation using fourth harmonics (wavelength=266 nm) of neodymium doped yttrium aluminum garnet laser and a fluence close to near-threshold value (2.3 J/cm 2 ) have been investigated with a high angular resolution. The angular distribution which is characterized by the exponent n of cos n θ distribution showed very broad range of values between 3 and 24 for different metals. A simple relation that the exponent n is proportional to the square root of particle atomic weight as reported previously has not been observed. Instead, a general trend has been found that the metals with higher sublimation energy such as Ta and Zr show narrower angular distribution than those with lower sublimation energy such as Sn and In. While the sublimation energy of metals has a great influence on the angular distribution of ejected atoms, a simple consideration suggests that their thermal conductivity and specific heat have little effect on it.

Substrate coated with receptor and labelled ligand for assays

International Nuclear Information System (INIS)

1980-01-01

Improvements in the procedures for assaying ligands are described. The assay consists of a polystyrene tube on which receptors are present for both the ligand to be assayed and a radioactively labelled form of the ligand. The receptors on the bottom portion of the tube are also coated with labelled ligands, thus eliminating the necessity for separate addition of the labelled ligand and sample during an assay. Examples of ligands to which this method is applicable include polypeptides, nucleotides, nucleosides and proteins. Specific examples are given in which the ligand to be assayed is digoxin, the labelled form of the ligand is 3-0-succinyl digoxyigenin tyrosine ( 125 I) and the receptor is digoxin antibody. (U.K.)

Orbital Angular Momentum Multiplexing over Visible Light Communication Systems

Science.gov (United States)

Tripathi, Hardik Rameshchandra

This thesis proposes and explores the possibility of using Orbital Angular Momentum multiplexing in Visible Light Communication system. Orbital Angular Momentum is mainly applied for laser and optical fiber transmissions, while Visible Light Communication is a technology using the light as a carrier for wireless communication. In this research, the study of the state of art and experiments showing some results on multiplexing based on Orbital Angular Momentum over Visible Light Communication system were done. After completion of the initial stage; research work and simulations were performed on spatial multiplexing over Li-Fi channel modeling. Simulation scenarios which allowed to evaluate the Signal-to-Noise Ratio, Received Power Distribution, Intensity and Illuminance were defined and developed.

Angular-momentum-dominated electron beams and flat-beam generation

International Nuclear Information System (INIS)

Sun, Yin-e

2005-01-01

In the absence of external forces, if the dynamics within an electron beam is dominated by its angular momentum rather than other effects such as random thermal motion or self Coulomb-repulsive force (i.e., space-charge force), the beam is said to be angular-momentum-dominated. Such a beam can be directly applied to the field of electron-cooling of heavy ions; or it can be manipulated into an electron beam with large transverse emittance ratio, i.e., a flat beam. A flat beam is of interest for high-energy electron-positron colliders or accelerator-based light sources. An angular-momentum-dominated beam is generated at the Fermilab/NICADD photoinjector Laboratory (FNPL) and is accelerated to an energy of 16 MeV. The properties of such a beam is investigated systematically in experiment. The experimental results are in very good agreement with analytical expectations and simulation results. This lays a good foundation for the transformation of an angular-momentum-dominated beam into a flat beam. The round-to-flat beam transformer is composed of three skew quadrupoles. Based on a good knowledge of the angular-momentum-dominated beam, the quadrupoles are set to the proper strengths in order to apply a total torque which removes the angular momentum, resulting in a flat beam. For bunch charge around 0.5 nC, an emittance ratio of 100 ± 5 was measured, with the smaller normalized root-mean-square emittance around 0.4 mm-mrad. Effects limiting the flat-beam emittance ratio are investigated, such as the chromatic effects in the round-to-flat beam transformer, asymmetry in the initial angular-momentum-dominated beam, and space-charge effects. The most important limiting factor turns out to be the uncorrelated emittance growth caused by space charge when the beam energy is low, for example, in the rf gun area. As a result of such emittance growth prior to the round-to-flat beam transformer, the emittance ratio achievable in simulation decreases from orders of thousands to

Angular-momentum-dominated electron beams and flat-beam generation

Energy Technology Data Exchange (ETDEWEB)

Sun, Yin-e [Univ. of Chicago, IL (United States)

2005-06-01

In the absence of external forces, if the dynamics within an electron beam is dominated by its angular momentum rather than other effects such as random thermal motion or self Coulomb-repulsive force (i.e., space-charge force), the beam is said to be angular-momentum-dominated. Such a beam can be directly applied to the field of electron-cooling of heavy ions; or it can be manipulated into an electron beam with large transverse emittance ratio, i.e., a flat beam. A flat beam is of interest for high-energy electron-positron colliders or accelerator-based light sources. An angular-momentum-dominated beam is generated at the Fermilab/NICADD photoinjector Laboratory (FNPL) and is accelerated to an energy of 16 MeV. The properties of such a beam is investigated systematically in experiment. The experimental results are in very good agreement with analytical expectations and simulation results. This lays a good foundation for the transformation of an angular-momentum-dominated beam into a flat beam. The round-to-flat beam transformer is composed of three skew quadrupoles. Based on a good knowledge of the angular-momentum-dominated beam, the quadrupoles are set to the proper strengths in order to apply a total torque which removes the angular momentum, resulting in a flat beam. For bunch charge around 0.5 nC, an emittance ratio of 100 ± 5 was measured, with the smaller normalized root-mean-square emittance around 0.4 mm-mrad. Effects limiting the flat-beam emittance ratio are investigated, such as the chromatic effects in the round-to-flat beam transformer, asymmetry in the initial angular-momentum-dominated beam, and space-charge effects. The most important limiting factor turns out to be the uncorrelated emittance growth caused by space charge when the beam energy is low, for example, in the rf gun area. As a result of such emittance growth prior to the round-to-flat beam transformer, the emittance ratio achievable in simulation decreases from orders of thousands to

New approach to determine the angular transmission in zero-degree magnetic spectrometers

International Nuclear Information System (INIS)

Benlliure, J.; Pereira-Conca, J.; Schmidt, K.H.

2000-11-01

A new method to estimate the angular transmission in zero-degree magnetic spectrometers is presented. This method is based on a parameterisation of the angular aperture of the spectrometer for any possible value of the magnetic rigidity of the transmitted particles. This parameterisation of the angular aperture together with a description of the kinematics of the reaction mechanism allows to determine the angular transmission analytically, avoiding tedious Monte-Carlo calculations. The analytical solutions are implemented for residual nuclei produced in fission, projectile-fragmentation and fusion-evaporation reactions. (orig.)

Correcting binding parameters for interacting ligand-lattice systems

Science.gov (United States)

Hervy, Jordan; Bicout, Dominique J.

2017-07-01

Binding of ligands to macromolecules is central to many functional and regulatory biological processes. Key parameters characterizing ligand-macromolecule interactions are the stoichiometry, inducing the number of ligands per macromolecule binding site, and the dissociation constant, quantifying the ligand-binding site affinity. Both these parameters can be obtained from analyses of classical saturation experiments using the standard binding equation that offers the great advantage of mathematical simplicity but becomes an approximation for situations of interest when a ligand binds and covers more than one single binding site on the macromolecule. Using the framework of car-parking problem with latticelike macromolecules where each ligand can cover simultaneously several consecutive binding sites, we showed that employing the standard analysis leads to underestimation of binding parameters, i.e., ligands appear larger than they actually are and their affinity is also greater than it is. Therefore, we have derived expressions allowing to determine the ligand size and true binding parameters (stoichiometry and dissociation constant) as a function of apparent binding parameters retrieved from standard saturation experiments.

THERMODYNAMICS OF PROTEIN-LIGAND INTERACTIONS AND THEIR ANALYSIS

Directory of Open Access Journals (Sweden)

Rummi Devi Saini

2017-11-01

Full Text Available Physiological processes are controlled mainly by intermolecular recognition mechanisms which involve protein–protein and protein–ligand interactions with a high specificity and affinity to form a specific complex. Proteins being an important class of macromolecules in biological systems, it is important to understand their actions through binding to other molecules of proteins or ligands. In fact, the binding of low molecular weight ligands to proteins plays a significant role in regulating biological processes such as cellular metabolism and signal transmission. Therefore knowledge of the protein–ligand interactions and the knowledge of the mechanisms involved in the protein-ligand recognition and binding are key in understanding biology at molecular level which will facilitate the discovery, design, and development of drugs. In this review, the mechanisms involved in protein–ligand binding, the binding kinetics, thermodynamic concepts and binding driving forces are discussed. Thermodynamic mechanisms involved in a few important protein-ligand binding are described. Various spectroscopic, non-spectroscopic and computational method for analysis of protein–ligand binding are also discussed.

Quantum entanglement of high angular momenta.

Science.gov (United States)

Fickler, Robert; Lapkiewicz, Radek; Plick, William N; Krenn, Mario; Schaeff, Christoph; Ramelow, Sven; Zeilinger, Anton

2012-11-02

Single photons with helical phase structures may carry a quantized amount of orbital angular momentum (OAM), and their entanglement is important for quantum information science and fundamental tests of quantum theory. Because there is no theoretical upper limit on how many quanta of OAM a single photon can carry, it is possible to create entanglement between two particles with an arbitrarily high difference in quantum number. By transferring polarization entanglement to OAM with an interferometric scheme, we generate and verify entanglement between two photons differing by 600 in quantum number. The only restrictive factors toward higher numbers are current technical limitations. We also experimentally demonstrate that the entanglement of very high OAM can improve the sensitivity of angular resolution in remote sensing.

Factorial correlators: angular scaling within QCD jets

International Nuclear Information System (INIS)

Peschanski, R.

2001-01-01

Factorial correlators measure the amount of dynamical correlation in the multiplicity between two separated phase-space windows. We present the analytical derivation of factorial correlators for a QCD jet described at the double logarithmic (DL) accuracy. We obtain a new angular scaling property for properly normalized correlators between two solid-angle cells or two rings around the jet axis. Normalized QCD factorial correlators scale with the angular distance and are independent of the window size. Scaling violations are expected beyond the DL approximation, in particular from the subject structure. Experimental tests are feasible, and thus would be welcome. (orig.)

Development of immobilized ligands for actinide separations

International Nuclear Information System (INIS)

Paine, R.T.

1994-01-01

Primary goals during this grant period were to (1) synthesize new bifunctional chelating ligands, (2) characterize the structural features of the Ln and An coordination complexes formed by these ligands, (3) use structural data to iteratively design new classes of multifunctional ligands, and (4) explore additional routes for attachment of key ligands to solid supports that could be useful for chromatographic separations. Some highlights of recently published work as well as a summary of submitted, unpublished and/or still in progress research are outlined

Angular momentum projection with Pfaffian

International Nuclear Information System (INIS)

Oi, M.

2011-01-01

Recent developments to rewrite the Onishi formula for an evaluation of the so-called norm overlap kernel necessary in angular momentum projection are to be discussed. The essential ingredients in the development, that is, the Fermion coherent states, the Grassmann numbers, and the Pfaffian, are explained. (author)

Entangled zinc-ditetrazolate frameworks involving in situ ligand synthesis and topological modulation by various secondary N-donor ligands

International Nuclear Information System (INIS)

Li Yunwu; Chen Weilin; Wang Yonghui; Li Yangguang; Wang Enbo

2009-01-01

The introduction of various secondary N-donor ligands into an in situ ditetrazolate-ligand synthesis system of terephthalonitrile, NaN 3 and ZnCl 2 led to the formation of three new entangled frameworks Zn(pdtz)(4,4'-bipy).3H 2 O (1), [Zn(pdtz)(bpp)] 2 .3H 2 O (2) and Zn(pdtz) 0.5 (N 3 )(2,2'-bipy) (3) (4,4'-bipy=4,4'-bipyridine; bpp=1,3-bis(4-pyridyl)propane; 2,2'-bipy=2,2'-bipyridine; H 2 pdtz=5,5'-1,4-phenylene-ditetrazole). The formation of pdtz 2- ligand involves the Sharpless [2+3] cycloaddition reaction between terephthalonitrile and NaN 3 in the presence of Zn 2+ ion as a Lewis-acid catalyst under hydrothermal conditions. Compound 1 exhibits a fivefold interpenetrating 3D framework based on the diamondoid topology. Compound 2 displays a twofold parallel interpenetrating framework based on the wavelike individual network. Compound 3 possesses a 2D puckered network. These new Zn-ditetrazolate frameworks are highly dependent on the modulation of different secondary N-donor ligands. Their luminescent properties were investigated. - Graphical abstract: Three new entangled frameworks were prepared by an in situ ditetrazolate-ligand synthesis system assisted with various auxiliary N-donor ligands. The entangled structures can be modulated by different secondary ligands.

Angular distribution of sputtered atoms from Al-Sn alloy and surface topography

International Nuclear Information System (INIS)

Wang Zhenxia; Pan Jisheng; Zhang Jiping; Tao Zhenlan

1992-01-01

If an alloy is sputtered the angular distribution of the sputtered atoms can be different for each component. At high ion energies in the range of linear cascade theory, different energy distributions for components of different mass in the solid are predicted. Upon leaving the surface, i.e. overcoming the surface binding energy, these differences should show up in different angular distributions. Differences in the angular distribution are of much practical interest, for example, in thin-film deposition by sputtering and surface analysis by secondary-ion mass spectroscopy and Auger electron spectroscopy. Recently our experimental work has shown that for Fe-W alloy the surface microtopography becomes dominant and determines the shape of the angular distribution of the component. However, with the few experimental results available so far it is too early to draw any general conclusions for the angular distribution of the sputtered constituents. Thus, the aim of this work was to study further the influence of the surface topography on the shape of the angular distribution of sputtered atoms from an Al-Sn alloy. (Author)

Selective extraction of trivalent actinides with hard-soft mixed donor ligands: role of intra-ligand synergism

International Nuclear Information System (INIS)

Ghanty, Tapan K.

2016-01-01

In recent years, considerable attention has been given to understand the coordination chemistry of trivalent lanthanide (Ln) and actinide (An) with various ligands because of its close link with the nuclear waste management processes. It is well known that lanthanide-actinide separation is a challenging and difficult task because of very similar chemical properties of these two series of ions, which are associated with similar ionic radii and coordination numbers. Recently, we have introduced a new concept, 'intra-ligand synergism', where hard donor atom, such as, oxygen preferentially binds to trivalent actinides (An(III)) as compared to the valence iso-electronic trivalent lanthanides (Ln(III)) in presence of another soft donor centre. In the present work, the conventional concept of selective complexation of actinides with soft donor ligands (either S or N donor) has been modified through exploiting this concept, and thereby the higher selectivity of 1,10-phenanthroline-2,9-dicarboxylamide (PDAM) based ligands, namely PDAM and its isobutyl and decyl derivatives towards Am(III) ion has been predicted theoretically through density functional calculations. Subsequently, several such amide derivatives have been synthesized to optimize the solubility of the ligands in organic phase. Finally, solvent extraction experiments have been carried out to validate the theoretical prediction on the selectivity of oxygen donor ligands towards Am(III) as compared to Eu(III), and a maximum separation factor of about 51 has been achieved experimentally using 2,9-bis(N-decylaminocarbonyl)-1,10-phenanthroline ligand. The separation factor is increased with the decrease in pH, which is very interesting since extraction of the Am 3+ ion is considered to be important under highly acidic conditions from the nuclear waste management point of view. (author)

Isotropic gates in large gamma detector arrays versus angular distributions

International Nuclear Information System (INIS)

Iacob, V.E.; Duchene, G.

1997-01-01

The quality of the angular distribution information extracted from high-fold gamma-gamma coincidence events is analyzed. It is shown that a correct quasi-isotropic gate setting, available at the modern large gamma-ray detector arrays, essentially preserves the quality of the angular information. (orig.)

The Effects of Isokinetic Strength Training on Strength at Different Angular Velocities: a Pilot Study

Directory of Open Access Journals (Sweden)

Tuğba Kocahan

2017-09-01

Conclusion: It was shown that angular velocity is important in isokinetic training, and that training at high angular velocities provides strength increases at lower angular velocities, but would not increase strength at angular velocities above the training level. For this reason, it is thought that in the preparation of an isokinetic strength training protocol, angular velocities need to be taken into account. For any athlete, the force at the angular velocity required in her/his sports branch needs to be considered.

Synthesis, spectral, thermal and biological studies of mixed ligand complexes with newly prepared Schiff base and 1,10-phenanthroline ligands

Science.gov (United States)

Abd El-Halim, Hanan F.; Mohamed, Gehad G.; Khalil, Eman A. M.

2017-10-01

A series of mixed ligand complexes were prepared from the Schiff base (L1) as a primary ligand, prepared by condensation of oxamide and furan-2-carbaldehyde, and 1,10-phenanthroline (1,10-phen) as a secondary ligand. The Schiff base ligand and its mixed ligand chelates were characterized based on elemental analysis, IR, 1H NMR, thermal analysis, UV-Visible, mass, molar conductance, magnetic moment. X-ray diffraction, solid reflectance and ESR also have been studied. The mixed ligand complexes were found to have the formulae of [M(L1) (1,10-phen)]Clm.nH2O (M = Cr(III) and Fe(III) (m = 3) (n = 0); M = Mn(II), Cu(II) and Cd(II) (m = 2) (n = 0); and M = Co(II) (m = 2) (n = 1), Ni(II) (m = 2) (n = 2) and Zn(II) (m = 2) (n = 3)) and that the geometrical structure of the complexes were octahedral. The parameters of thermodynamic using Coats-Redfern and Horowitz-Metzger equations were calculated. The synthesized Schiff base ligand, 1,10-phenanthroline ligand and Their mixed ligand complexes were also investigated for their antibacterial and antifungal activity against bacterial species (Gram-Ve bacteria: Pseudomonas aeruginosa and Escherichia coli) and (Gram + Ve bacteria: Bacillus subtilis and Streptococcus pneumonia) and fungi (Aspergillus fumigates and Candida albicans). The anticancer activity of the new compounds had been tested against breast (MFC7) and colon (HCT-116) cell lines. The results showed high activity for the synthesized compounds.

The dependence of the period on the angular amplitude of a simple ...

African Journals Online (AJOL)

The timing of the oscillation was done as the bob passed through its rest position. The time for 50 oscillations was recorded for different lengths and angular amplitudes. It was observed that the period depends on length and angular amplitude of the pendulum. The variation of the period with the angular amplitude is not a ...

On Angular Sampling Methods for 3-D Spatial Channel Models

DEFF Research Database (Denmark)

Fan, Wei; Jämsä, Tommi; Nielsen, Jesper Ødum

2015-01-01

This paper discusses generating three dimensional (3D) spatial channel models with emphasis on the angular sampling methods. Three angular sampling methods, i.e. modified uniform power sampling, modified uniform angular sampling, and random pairing methods are proposed and investigated in detail....... The random pairing method, which uses only twenty sinusoids in the ray-based model for generating the channels, presents good results if the spatial channel cluster is with a small elevation angle spread. For spatial clusters with large elevation angle spreads, however, the random pairing method would fail...... and the other two methods should be considered....

Autocrine signal transmission with extracellular ligand degradation

International Nuclear Information System (INIS)

Muratov, C B; Posta, F; Shvartsman, S Y

2009-01-01

Traveling waves of cell signaling in epithelial layers orchestrate a number of important processes in developing and adult tissues. These waves can be mediated by positive feedback autocrine loops, a mode of cell signaling where binding of a diffusible extracellular ligand to a cell surface receptor can lead to further ligand release. We formulate and analyze a biophysical model that accounts for ligand-induced ligand release, extracellular ligand diffusion and ligand–receptor interaction. We focus on the case when the main mode for ligand degradation is extracellular and analyze the problem with the sharp threshold positive feedback nonlinearity. We derive expressions that link the speed of propagation and other characteristics of traveling waves to the parameters of the biophysical processes, such as diffusion rates, receptor expression level, etc. Analyzing the derived expressions we found that traveling waves in such systems can exhibit a number of unusual properties, e.g. non-monotonic dependence of the speed of propagation on ligand diffusivity. Our results for the fully developed traveling fronts can be used to analyze wave initiation from localized perturbations, a scenario that frequently arises in the in vitro models of epithelial wound healing, and guide future modeling studies of cell communication in epithelial layers

The Cosmology Large Angular Scale Surveyor

Science.gov (United States)

Harrington, Kathleen; Marriage, Tobias; Ali, Aamir; Appel, John; Bennett, Charles; Boone, Fletcher; Brewer, Michael; Chan, Manwei; Chuss, David T.; Colazo, Felipe;

Dockomatic - automated ligand creation and docking.

Science.gov (United States)

Bullock, Casey W; Jacob, Reed B; McDougal, Owen M; Hampikian, Greg; Andersen, Tim

2010-11-08

The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user friendly Graphical User Interface (GUI) application that eases and automates the creation and management of AutoDock jobs for high throughput screening of ligand to receptor interactions. DockoMatic allows the user to invoke and manage AutoDock jobs on a single computer or cluster, including jobs for evaluating secondary ligand interactions. It also automates the process of collecting, summarizing, and viewing results. In addition, DockoMatic automates creation of peptide ligand .pdb files from strings of single-letter amino acid abbreviations. DockoMatic significantly reduces the complexity of managing multiple AutoDock jobs by facilitating ligand and AutoDock job creation and management.

Dockomatic - automated ligand creation and docking

Directory of Open Access Journals (Sweden)

Hampikian Greg

2010-11-01

Full Text Available Abstract Background The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user friendly Graphical User Interface (GUI application that eases and automates the creation and management of AutoDock jobs for high throughput screening of ligand to receptor interactions. Results DockoMatic allows the user to invoke and manage AutoDock jobs on a single computer or cluster, including jobs for evaluating secondary ligand interactions. It also automates the process of collecting, summarizing, and viewing results. In addition, DockoMatic automates creation of peptide ligand .pdb files from strings of single-letter amino acid abbreviations. Conclusions DockoMatic significantly reduces the complexity of managing multiple AutoDock jobs by facilitating ligand and AutoDock job creation and management.

Galaxy angular momentum

International Nuclear Information System (INIS)

Thompson, L.A.

1974-01-01

In order to test the theories which purport to explain the origin of galaxy angular momentum, this study presents new data for about 1000 individual galaxies in eight rich clusters. The clusters which are studied include Virgo, A 119, A 400, A 1656 (Coma), A 2147, A 2151 (Hercules), A 2197, and A 2199. Selected samples of these data are used to investigate systematic alignment effects in clusters of galaxies and to investigate the intrinsic ellipticities of E, SO, and spiral galaxies. The following new results are reported: Galaxies in the cluster A 2197 show a significant alignment effect (chi 2 probability less than 0.0002), and the preferential direction of alignment corresponds approximately to the major axis of the overall cluster elongation. None of the other seven clusters show any significant alignment trends. The spiral galaxy samples in four clusters (Virgo, A 1656, A 2151, and A 2197) were large enough to analyze the number distributions of forward and reverse winding spirals. Large and small spiral galaxies have identical ellipticity distributions. Large E and SO galaxies tend to be more spherical, and small E and SO galaxies more flattened. The intrinsic ellipticities of E, SO, and spiral galaxies are the same for galaxies in the ''field'' and for galaxies in rich clusters. Six models of galaxy formation are reviewed, and the major []mphasis is placed on how each model explains the origin of galaxy angular momentum. (Diss. Abstr. Int., B)

Information content in B→VV decays and the angular moments method

International Nuclear Information System (INIS)

Dighe, A.; Sen, S.

1998-10-01

The time-dependent angular distributions of decays of neutral B mesons into two vector mesons contain information about the lifetimes, mass differences, strong and weak phases, form factors, and CP violating quantities. A statistical analysis of the information content is performed by giving the ''information'' a quantitative meaning. It is shown that for some parameters of interest, the information content in time and angular measurements combined may be orders of magnitude more than the information from time measurements alone and hence the angular measurements are highly recommended. The method of angular moments is compared with the (maximum) likelihood method to find that it works almost as well in the region of interest for the one-angle distribution. For the complete three-angle distribution, an estimate of possible statistical errors expected on the observables of interest is obtained. It indicates that the three-angle distribution, unraveled by the method of angular moments, would be able to nail down many quantities of interest and will help in pointing unambiguously to new physics. (author)

AngularJS directives

CERN Document Server

Vanston, Alex

2013-01-01

This book uses a practical, step-by-step approach, starting with how to build directives from the ground up before moving on to creating web applications comprised of multiple modules all working together to provide the best user experience possible.This book is intended for intermediate JavaScript developers who are looking to enhance their understanding of single-page web application development with a focus on AngularJS and the JavaScript MVC frameworks.It is expected that readers will understand basic JavaScript patterns and idioms and can recognize JSON formatted data.

Operator theory of angular momentum nad orientational auto-correlation functions

International Nuclear Information System (INIS)

Evans, M.W.

1982-01-01

The rigorous relation between the orientational auto-correlation function and the angular momentum autocorrelation function is described in two cases of interest. First when description of the complete zero THz- spectrum is required from the Mori continued fraction expansion for the angular momentum autocorrelation function and second when rotation/translation effects are important. The Mori-Evans theory of 1976, relying on the simple Shimizu relation is found to be essentially unaffected by the higher order corrections recently worked out by Ford and co-workers in the Markov limit. The mutual interaction of rotation and translation is important in determining the details of both the orientational and angular momentum auto-correlation function's (a.c.f.'s) in the presence of sample anisotropy or a symmetry breaking field. In this case it is essential to regard the angular momentum a.c.f. as non-Markovian and methods are developed to relate this to the orientational a.c.f. in the presence of rotation/translation coupling. (author)

Earth Rotation and Coupling to Changes in Atmospheric Angular Momentum

Science.gov (United States)

Rosen, Richard D.; Frey, H. (Technical Monitor)

2000-01-01

The research supported under the contract dealt primarily with: (a) the mechanisms responsible for the exchange of angular momentum between the solid Earth and atmosphere; (b) the quality of the data sets used to estimate atmospheric angular momentum; and (c) the ability of these data and of global climate models to detect low-frequency signals in the momentum and, hence, circulation of the atmosphere. Three scientific papers reporting on the results of this research were produced during the course of the contract. These papers identified the particular torques responsible for the peak in atmospheric angular momentum and length-of-day during the 1982-93 El Nino event, and, more generally, the relative roles of torques over land and ocean in explaining the broad spectrum of variability in the length-of-day. In addition, a tendency for interannual variability in atmospheric angular momentum to increase during the last several decades of the 20th century was found in both observations and a global climate model experiment.

Chirality and angular momentum in optical radiation

Science.gov (United States)

Coles, Matt M.; Andrews, David L.

2012-06-01

This paper develops, in precise quantum electrodynamic terms, photonic attributes of the “optical chirality density,” one of several measures long known to be conserved quantities for a vacuum electromagnetic field. The analysis lends insights into some recent interpretations of chiroptical experiments, in which this measure, and an associated chirality flux, have been treated as representing physically distinctive “superchiral” phenomena. In the fully quantized formalism the chirality density is promoted to operator status, whose exploration with reference to an arbitrary polarization basis reveals relationships to optical angular momentum and helicity operators. Analyzing multimode beams with complex wave-front structures, notably Laguerre-Gaussian modes, affords a deeper understanding of the interplay between optical chirality and optical angular momentum. By developing theory with due cognizance of the photonic character of light, it emerges that only the spin-angular momentum of light is engaged in such observations. Furthermore, it is shown that these prominent measures of the helicity of chiral electromagnetic radiation have a common basis in differences between the populations of optical modes associated with angular momenta of opposite sign. Using a calculation of the rate of circular dichroism as an example, with coherent states to model the electromagnetic field, it is discovered that two terms contribute to the differential effect. The primary contribution relates to the difference in left- and right-handed photon populations; the only other contribution, which displays a sinusoidal distance dependence corresponding to the claim of nodal enhancements, is connected with the quantum photon number-phase uncertainty relation. From the full analysis, it appears that the term “superchiral” can be considered redundant.

Revolution evolution: tracing angular momentum during star and planetary system formation

Science.gov (United States)

Davies, Claire Louise

2015-04-01

Stars form via the gravitational collapse of molecular clouds during which time the protostellar object contracts by over seven orders of magnitude. If all the angular momentum present in the natal cloud was conserved during collapse, stars would approach rotational velocities rapid enough to tear themselves apart within just a few Myr. In contrast to this, observations of pre-main sequence rotation rates are relatively slow (∼ 1 - 15 days) indicating that significant quantities of angular momentum must be removed from the star. I use observations of fully convective pre-main sequence stars in two well-studied, nearby regions of star formation (namely the Orion Nebula Cluster and Taurus-Auriga) to determine the removal rate of stellar angular momentum. I find the accretion disc-hosting stars to be rotating at a slower rate and contain less specific angular momentum than the disc-less stars. I interpret this as indicating a period of accretion disc-regulated angular momentum evolution followed by near-constant rotational evolution following disc dispersal. Furthermore, assuming that the age spread inferred from the Hertzsprung-Russell diagram constructed for the star forming region is real, I find that the removal rate of angular momentum during the accretion-disc hosting phase to be more rapid than that expected from simple disc-locking theory whereby contraction occurs at a fixed rotation period. This indicates a more efficient process of angular momentum removal must operate, most likely in the form of an accretion-driven stellar wind or outflow emanating from the star-disc interaction. The initial circumstellar envelope that surrounds a protostellar object during the earliest stages of star formation is rotationally flattened into a disc as the star contracts. An effective viscosity, present within the disc, enables the disc to evolve: mass accretes inwards through the disc and onto the star while momentum migrates outwards, forcing the outer regions of the

Electrochemical sensing platform based on tris(2,2'-bipyridyl)cobalt(III) and multiwall carbon nanotubes-Nafion composite for immunoassay of carcinoma antigen-125

International Nuclear Information System (INIS)

Chen Shihong; Yuan Ruo; Chai Yaqin; Min Ligen; Li Wenjuan; Xu Yang

2009-01-01

A new strategy for constructing a sensitive mediator-type electrochemical immunosensor for the detection of carcinoma antigen-125 (CA125) was developed. In this strategy, mediator tris(2,2'-bipyridyl)cobalt(III) (Co(bpy) 3 3+ ) was incoporated into the multiwall carbon nanotubes-Nafion (MWNTs-Nafion) composite film via a simple ion-exchange route. Then, gold colloidal nanoparticles (nano-Au) were attached onto Co(bpy) 3 3+ /MWNTs-Nafion film through electrostatic interaction between negatively charged nano-Au and positively charged Co(bpy) 3 3+ . Finally, CA125 monoclonal antibody (anti-CA125), used as a model antibody, was assembled onto the surface of nano-Au to achieve an immunosensor for the determination of CA125 antigen. X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) were used to characterize the assembly process of the modified electrode. The resulting immunosensor showed a high sensitivity, wide dynamic range consisting of two linear parts from 1.0 to 30 U mL -1 and 30 to 150 U mL -1 with a low detection limit of 0.36 U mL -1 at 3 times the background noise. Moreover, it displayed good reproducibility and stability, and would be potentially attractive for clinical immunoassay of CA125. The integration of mediator Co(bpy) 3 3+ and MWNTs-Nafion composite would offer potential promise for the fabrication of biosensors and biocatalysts.

Simulation and experimental studies of a double-fiber angular displacement sensor

Science.gov (United States)

Zhu, Ruixue; Jing, Ruiping; Cheng, Yongjin

2017-03-01

A novel optical fiber angular displacement sensor is reported in this study. It gets the rotating angle of an object by means of the intensity modulation of a reflected light. The sensor probe, which is composed of an emitting fiber and a receiving fiber that are aligned along the vertical direction closely, is fixed directly on the rotating object. The measurements for axial displacement and angular displacement were operated separately. In particular, measurements for angular displacement were performed when the reflector is placed at different distances from the sensor probe separately. There is an excellent linearity between the angular displacement and the sensor output power. The results indicate that the larger the distance between the sensor probe and the reflector, the higher sensitivity the angular displacement sensor has. A theoretical model of the sensor is also developed and the simulate computation demonstrates that the theoretical results are in accordance with the experimental ones. The linear sensing range is ±7.2°, and the maximum sensitivity is 13.71%/deg. Furthermore, the hysteresis and the reproducibility of the measurement of the sensor are investigated. The designed sensor provides a kind of simple and effective method for measuring the angular displacement of a shaft system in practice due to its small size, light weight, good linearity and reproducibility.

Prediction of Lunar Reconnaissance Orbiter Reaction Wheel Assembly Angular Momentum Using Regression Analysis

Science.gov (United States)

DeHart, Russell

2017-01-01

This study determines the feasibility of creating a tool that can accurately predict Lunar Reconnaissance Orbiter (LRO) reaction wheel assembly (RWA) angular momentum, weeks or even months into the future. LRO is a three-axis stabilized spacecraft that was launched on June 18, 2009. While typically nadir-pointing, LRO conducts many types of slews to enable novel science collection. Momentum unloads have historically been performed approximately once every two weeks with the goal of maintaining system total angular momentum below 70 Nms; however flight experience shows the models developed before launch are overly conservative, with many momentum unloads being performed before system angular momentum surpasses 50 Nms. A more accurate model of RWA angular momentum growth would improve momentum unload scheduling and decrease the frequency of these unloads. Since some LRO instruments must be deactivated during momentum unloads and in the case of one instrument, decontaminated for 24 hours there after a decrease in the frequency of unloads increases science collection. This study develops a new model to predict LRO RWA angular momentum. Regression analysis of data from October 2014 to October 2015 was used to develop relationships between solar beta angle, slew specifications, and RWA angular momentum growth. The resulting model predicts RWA angular momentum using input solar beta angle and mission schedule data. This model was used to predict RWA angular momentum from October 2013 to October 2014. Predictions agree well with telemetry; of the 23 momentum unloads performed from October 2013 to October 2014, the mean and median magnitude of the RWA total angular momentum prediction error at the time of the momentum unloads were 3.7 and 2.7 Nms, respectively. The magnitude of the largest RWA total angular momentum prediction error was 10.6 Nms. Development of a tool that uses the models presented herein is currently underway.

Continuous particle spectra and their angular distributions

International Nuclear Information System (INIS)

Sastry, Ch.V.; Jain, R.K.; Rama Rao, J.; Ernst, J.; Machner, H.

1996-01-01

The angular distribution of continuous particle spectra in pre-equilibrium reactions is still an unsolved problem, particularly so at forward angles. In the present work, the angular distributions of alpha particles emitted in (α, α',x) reactions in the target elements gold and rhodium have been studied in detail. Alpha particle beams of energy 60 MeV from the Variable Energy Cyclotron of Calcutta were used in these experiments. The theoretical calculations were done using an extended exciton model of Kalbach incorporated into the Computer Code PRECO-D2. The formalism used in the exciton model was modified to include division of pre equilibrium cross section into multi-step direct (MSD) and multi-step compound (MSC) components. These MSD and MSC cross sections were used to calculate the angular distributions in terms of Legendre polynomials whose coefficients are given by simple phenomenological relations. Even with a reasonable set of parameters, the agreement between theory and experiment was far from satisfactory at forward angles. Similar conclusion was also drawn in the case of continuous particle spectra of deuterons in (d, d'x) reactions at 25 MeV in various targets. (author). 10 refs., 2 figs

Angular dependence of spin-orbit spin-transfer torques

KAUST Repository

Lee, Ki-Seung

2015-04-06

In ferromagnet/heavy-metal bilayers, an in-plane current gives rise to spin-orbit spin-transfer torque, which is usually decomposed into fieldlike and dampinglike torques. For two-dimensional free-electron and tight-binding models with Rashba spin-orbit coupling, the fieldlike torque acquires nontrivial dependence on the magnetization direction when the Rashba spin-orbit coupling becomes comparable to the exchange interaction. This nontrivial angular dependence of the fieldlike torque is related to the Fermi surface distortion, determined by the ratio of the Rashba spin-orbit coupling to the exchange interaction. On the other hand, the dampinglike torque acquires nontrivial angular dependence when the Rashba spin-orbit coupling is comparable to or stronger than the exchange interaction. It is related to the combined effects of the Fermi surface distortion and the Fermi sea contribution. The angular dependence is consistent with experimental observations and can be important to understand magnetization dynamics induced by spin-orbit spin-transfer torques.

Angular dependence of spin-orbit spin-transfer torques

KAUST Repository

Lee, Ki-Seung; Go, Dongwook; Manchon, Aurelien; Haney, Paul M.; Stiles, M. D.; Lee, Hyun-Woo; Lee, Kyung-Jin

2015-01-01

In ferromagnet/heavy-metal bilayers, an in-plane current gives rise to spin-orbit spin-transfer torque, which is usually decomposed into fieldlike and dampinglike torques. For two-dimensional free-electron and tight-binding models with Rashba spin-orbit coupling, the fieldlike torque acquires nontrivial dependence on the magnetization direction when the Rashba spin-orbit coupling becomes comparable to the exchange interaction. This nontrivial angular dependence of the fieldlike torque is related to the Fermi surface distortion, determined by the ratio of the Rashba spin-orbit coupling to the exchange interaction. On the other hand, the dampinglike torque acquires nontrivial angular dependence when the Rashba spin-orbit coupling is comparable to or stronger than the exchange interaction. It is related to the combined effects of the Fermi surface distortion and the Fermi sea contribution. The angular dependence is consistent with experimental observations and can be important to understand magnetization dynamics induced by spin-orbit spin-transfer torques.

Comparison of experimental and calculated neutron emission spectra and angular distributions

International Nuclear Information System (INIS)

Gruppelaar, H.; Akkermans, J.M.

1980-06-01

Experimental and calculated neutron emission spectra and angular distributions have been intercompared for 14.6-MeV neutron-induced reactions. The experimental data, measured by Hermsdorf et al., cover 34 elements in a large mass range. To calculate the differential neutron scattering cross sections a unified model of preequilibrium neutron emission was used, in which the generalized master equation of Mantzouranis et al. was solved with a fast exact matrix method, recently introduced by Akkermans. For the scattering kernel a three-term Legendre polynomial representation was adopted, which was either derived from the differential free nucleon-nucleon scattering cross section or fitted to obtain optimal agreement with the set of experimental data of Hermsdorf et al. The results of the last-mentioned calculation are quite acceptable in view of the fact that only two global parameters have been to describe the angular distributions of all experimental data. The report contains tables and graphs of the calculated Legendre coefficients and graphs of energy-averaged angular distributions for all 34 elements. It is further shown that improvements in the energy and angular distributions could be obtained by means of adjustment of the level-density parameters of the individual residual nuclei. Finally a short discussion is devoted to the problems of fitting angular distributions at backward angles by varying the model parameters or the specification of the initial condition. It is indicated that the so-called preequilibrium phase of the nuclear reaction actually consists of two different stages, the first one generating the forward-peaked angular distributions and the second one showing angular distributions symmetric about 90 0

Angular Momentum and Galaxy Formation Revisited

Science.gov (United States)

Romanowsky, Aaron J.; Fall, S. Michael

2012-12-01

Motivated by a new wave of kinematical tracers in the outer regions of early-type galaxies (ellipticals and lenticulars), we re-examine the role of angular momentum in galaxies of all types. We present new methods for quantifying the specific angular momentum j, focusing mainly on the more challenging case of early-type galaxies, in order to derive firm empirical relations between stellar j sstarf and mass M sstarf (thus extending earlier work by Fall). We carry out detailed analyses of eight galaxies with kinematical data extending as far out as 10 effective radii, and find that data at two effective radii are generally sufficient to estimate total j sstarf reliably. Our results contravene suggestions that ellipticals could harbor large reservoirs of hidden j sstarf in their outer regions owing to angular momentum transport in major mergers. We then carry out a comprehensive analysis of extended kinematic data from the literature for a sample of ~100 nearby bright galaxies of all types, placing them on a diagram of j sstarf versus M sstarf. The ellipticals and spirals form two parallel j sstarf-M sstarf tracks, with log-slopes of ~0.6, which for the spirals are closely related to the Tully-Fisher relation, but for the ellipticals derives from a remarkable conspiracy between masses, sizes, and rotation velocities. The ellipticals contain less angular momentum on average than spirals of equal mass, with the quantitative disparity depending on the adopted K-band stellar mass-to-light ratios of the galaxies: it is a factor of ~3-4 if mass-to-light ratio variations are neglected for simplicity, and ~7 if they are included. We decompose the spirals into disks and bulges and find that these subcomponents follow j sstarf-M sstarf trends similar to the overall ones for spirals and ellipticals. The lenticulars have an intermediate trend, and we propose that the morphological types of galaxies reflect disk and bulge subcomponents that follow separate, fundamental j sstarf

Synthesis of novel '4+1' Tc(III)/Re(III) mixed-ligand complexes with dendritically modified ligands

International Nuclear Information System (INIS)

Gniazdowska, E.; Kuenstler, J.U.; Stephan, H.; Pietzsch, H.J.

2006-01-01

Coordination chemistry of technetium and rhenium attracts a considerable interest due to the nuclear medicine applications of their radionuclides. Inert, so-called '3+1' or '4+1' technetium/rhenium mixed-ligand complexes open a new way to application of 99 mTc/ 188 Re labeled compounds in tumor diagnosis and therapy. In the presented paper, authors describe the synthesis and study of novel 99 mTc/ 188 Re complexes with dendritically functionalized tetradentate (tripodal chelator 2,2',2''-nitrilotris(ethanethiol), NS 3 and carboxyl group-bearing ligand, NS 3 (COOH) 3 ) and monodentate (dendritically modified isocyanide, CN-R(COOMe) 3 and isocyanide-modified peptide, CN-GGY) ligands. To verify the identity of the prepared n.c.a. complexes, non-radioactive analogous '4+1' Re compounds were synthesized. The experimental data show that a dendritic modification of the tetradentate/monodentate ligands changes the complex lipophilicity and does not influence its stability

Angular momentum of phonons and its application to single-spin relaxation

Science.gov (United States)

Nakane, Jotaro J.; Kohno, Hiroshi

2018-05-01

We reexamine the relaxation process of a single spin embedded in an elastic medium, a problem studied recently by Garanin and Chudnovsky (GC) [Phys. Rev. B 92, 024421 (2015), 10.1103/PhysRevB.92.024421] from the viewpoint of angular-momentum transfer. Using Noether's theorem, we identify two distinct angular momenta of the medium, one Newtonian discussed by GC and the other field-theoretical, both of which consist of an orbital part and a spin part. For both angular momenta, we found that the orbital part is as essential as the spin part in the relaxation process. In particular, the angular-momentum transfer from the (real) spin to the Newtonian orbital part may be considered as an incipient rotation that leads to the Einstein-de Haas effect.

Low-dimensional organization of angular momentum during walking on a narrow beam.

Science.gov (United States)

Chiovetto, Enrico; Huber, Meghan E; Sternad, Dagmar; Giese, Martin A

2018-01-08

Walking on a beam is a challenging motor skill that requires the regulation of upright balance and stability. The difficulty in beam walking results from the reduced base of support compared to that afforded by flat ground. One strategy to maintain stability and hence avoid falling off the beam is to rotate the limb segments to control the body's angular momentum. The aim of this study was to examine the coordination of the angular momentum variations during beam walking. We recorded movement kinematics of participants walking on a narrow beam and computed the angular momentum contributions of the body segments with respect to three different axes. Results showed that, despite considerable variability in the movement kinematics, the angular momentum was characterized by a low-dimensional organization based on a small number of segmental coordination patterns. When the angular momentum was computed with respect to the beam axis, the largest fraction of its variation was accounted for by the trunk segment. This simple organization was robust and invariant across all participants. These findings support the hypothesis that control strategies for complex balancing tasks might be easier to understand by investigating angular momentum instead of the segmental kinematics.

Angular distributions of particles sputtered from polycrystalline platinum by low-energy ions

International Nuclear Information System (INIS)

Chernysh, V.S.; Eckstein, W.; Haidarov, A.A.; Kulikauskas, V.S.; Mashkova, E.S.; Molchanov, V.A.

2000-01-01

The results of an experimental study and a computer simulation with the TRIM.SP code of the angular distributions of atoms sputtered from polycrystalline platinum under 3-9 keV Ne + bombardment at normal ion incidence are presented. It was found that angular distributions of sputtered atoms are overcosine and that their shape is practically independent of an ion energy. Comparison with the previously obtained data for He + and Ar + ions have shown that the shape of the angular distribution does not depend on the bombarding ion species. Good agreement between experimental results and computer simulation data was found. Computer simulations of the partial angular distributions of Pt atoms ejected due to various sputtering mechanisms for Ne ion bombardment were performed and the comparison with corresponding data for He and Ar bombarding was made. The role of different mechanisms in the formation of angular distributions of sputtered atoms has been analyzed

Orbital-angular-momentum entanglement in turbulence

CSIR Research Space (South Africa)

Hamadou Ibrahim, A

2013-06-01

Full Text Available The turbulence-induced decay of orbital-angular-momentum (OAM) entanglement between two photons is investigated numerically and experimentally. To compare our resultswith previouswork,we simulate the turbulent atmosphere with a single phase screen...

Orbital angular momentum of a high-order Bessel light beam

International Nuclear Information System (INIS)

Volke-Sepulveda, K; Garces-Chavez, V; Chavez-Cerda, S; Arlt, J; Dholakia, K

2002-01-01

The orbital angular momentum density of Bessel beams is calculated explicitly within a rigorous vectorial treatment. This allows us to investigate some aspects that have not been analysed previously, such as the angular momentum content of azimuthally and radially polarized beams. Furthermore, we demonstrate experimentally the mechanical transfer of orbital angular momentum to trapped particles in optical tweezers using a high-order Bessel beam. We set transparent particles of known dimensions into rotation, where the sense of rotation can be reversed by changing the sign of the singularity. Quantitative results are obtained for rotation rates. This paper's animations are available from the Multimedia Enhancements page

Bexarotene ligand pharmaceuticals.

Science.gov (United States)

Hurst, R E

2000-12-01

Bexarotene (LGD-1069), from Ligand, was the first retinoid X receptor (RXR)-selective, antitumor retinoid to enter clinical trials. The company launched the drug for the treatment of cutaneous T-cell lymphoma (CTCL), as Targretin capsules, in the US in January 2000 [359023]. The company filed an NDA for Targretin capsules in June 1999, and for topical gel in December 1999 [329011], [349982] specifically for once-daily oral administration for the treatment of patients with early-stage CTCL who have not tolerated other therapies, patients with refractory or persistent early stage CTCL and patients with refractory advanced stage CTCL. The FDA approved Targretin capsules at the end of December 1999 for once-daily oral treatment of all stages of CTCL in patients refractory to at least one prior systemic therapy, at an initial dose of 300 mg/m2/day. After an NDA was submitted in December 1999 for Targretin gel, the drug received Priority Review status for use as a treatment of cutaneous lesions in patients with stage IA, IB or IIA CTCL [354836]. The FDA issued an approvable letter in June 2000, and granted marketing clearance for CTCL in the same month [370687], [372768], [372769], [373279]. Ligand had received Orphan Drug designation for this indication [329011]. At the request of the FDA, Ligand agreed to carry out certain post-approval phase IV and pharmacokinetic studies [351604]. The company filed an MAA with the EMEA for Targretin Capsules to treat lymphoma in November 1999 [348944]. The NDA for Targretin gel is based on a multicenter phase III trial that was conducted in the US, Canada, Europe and Australia involving 50 patients and a multicenter phase I/II clinical program involving 67 patients. Targretin gel was evaluated for the treatment of patients with early stage CTCL (IA-IIA) who were refractory to, intolerant to, or reached a response plateau for at least 6 months on at least two prior therapies. Efficacy results exceeded the protocol-defined response

A Core Set Based Large Vector-Angular Region and Margin Approach for Novelty Detection

Directory of Open Access Journals (Sweden)

Jiusheng Chen

2016-01-01

Full Text Available A large vector-angular region and margin (LARM approach is presented for novelty detection based on imbalanced data. The key idea is to construct the largest vector-angular region in the feature space to separate normal training patterns; meanwhile, maximize the vector-angular margin between the surface of this optimal vector-angular region and abnormal training patterns. In order to improve the generalization performance of LARM, the vector-angular distribution is optimized by maximizing the vector-angular mean and minimizing the vector-angular variance, which separates the normal and abnormal examples well. However, the inherent computation of quadratic programming (QP solver takes O(n3 training time and at least O(n2 space, which might be computational prohibitive for large scale problems. By (1+ε  and  (1-ε-approximation algorithm, the core set based LARM algorithm is proposed for fast training LARM problem. Experimental results based on imbalanced datasets have validated the favorable efficiency of the proposed approach in novelty detection.

Photoelectron and ICD electron angular distributions from fixed-in-space neon dimers

International Nuclear Information System (INIS)

Jahnke, T; Czasch, A; Schoeffler, M; Schoessler, S; Kaesz, M; Titze, J; Kreidi, K; Grisenti, R E; Staudte, A; Jagutzki, O; Schmidt, L Ph H; Semenov, S K; Cherepkov, N A; Schmidt-Boecking, H; Doerner, R

2007-01-01

We report on molecular frame angular distributions of 2s photoelectrons and electrons emitted by interatomic Coulombic decay from neon dimers. We found that the measured angular distribution of the photoelectron strongly depends on the environment of the cluster. The experimental results are in excellent agreement with frozen core Hartree-Fock calculations. The ICD electrons show slight variations in their angular distribution for different kinetic energies

LASSO-ligand activity by surface similarity order: a new tool for ligand based virtual screening.

Science.gov (United States)

Reid, Darryl; Sadjad, Bashir S; Zsoldos, Zsolt; Simon, Aniko

2008-01-01

Virtual Ligand Screening (VLS) has become an integral part of the drug discovery process for many pharmaceutical companies. Ligand similarity searches provide a very powerful method of screening large databases of ligands to identify possible hits. If these hits belong to new chemotypes the method is deemed even more successful. eHiTS LASSO uses a new interacting surface point types (ISPT) molecular descriptor that is generated from the 3D structure of the ligand, but unlike most 3D descriptors it is conformation independent. Combined with a neural network machine learning technique, LASSO screens molecular databases at an ultra fast speed of 1 million structures in under 1 min on a standard PC. The results obtained from eHiTS LASSO trained on relatively small training sets of just 2, 4 or 8 actives are presented using the diverse directory of useful decoys (DUD) dataset. It is shown that over a wide range of receptor families, eHiTS LASSO is consistently able to enrich screened databases and provides scaffold hopping ability.

LASSO—ligand activity by surface similarity order: a new tool for ligand based virtual screening

Science.gov (United States)

Reid, Darryl; Sadjad, Bashir S.; Zsoldos, Zsolt; Simon, Aniko

2008-06-01

Virtual Ligand Screening (VLS) has become an integral part of the drug discovery process for many pharmaceutical companies. Ligand similarity searches provide a very powerful method of screening large databases of ligands to identify possible hits. If these hits belong to new chemotypes the method is deemed even more successful. eHiTS LASSO uses a new interacting surface point types (ISPT) molecular descriptor that is generated from the 3D structure of the ligand, but unlike most 3D descriptors it is conformation independent. Combined with a neural network machine learning technique, LASSO screens molecular databases at an ultra fast speed of 1 million structures in under 1 min on a standard PC. The results obtained from eHiTS LASSO trained on relatively small training sets of just 2, 4 or 8 actives are presented using the diverse directory of useful decoys (DUD) dataset. It is shown that over a wide range of receptor families, eHiTS LASSO is consistently able to enrich screened databases and provides scaffold hopping ability.

Angular momentum transport and evolution of lopsided galaxies

Science.gov (United States)

Saha, Kanak; Jog, Chanda J.

2014-10-01

The surface brightness distribution in the majority of stellar galactic discs falls off exponentially. Often what lies beyond such a stellar disc is the neutral hydrogen gas whose distribution also follows a nearly exponential profile at least for a number of nearby disc galaxies. Both the stars and gas are commonly known to host lopsided asymmetry especially in the outer parts of a galaxy. The role of such asymmetry in the dynamical evolution of a galaxy has not been explored so far. Following Lindblad's original idea of kinematic density waves, we show that the outer part of an exponential disc is ideally suitable for hosting lopsided asymmetry. Further, we compute the transport of angular momentum in the combined stars and gas disc embedded in a dark matter halo. We show that in a pure star and gas disc, there is a transition point where the free precession frequency of a lopsided mode, Ω - κ, changes from retrograde to prograde and this in turn reverses the direction of angular momentum flow in the disc leading to an unphysical behaviour. We show that this problem is overcome in the presence of a dark matter halo, which sets the angular momentum flow outwards as required for disc evolution, provided the lopsidedness is leading in nature. This, plus the well-known angular momentum transport in the inner parts due to spiral arms, can facilitate an inflow of gas from outside perhaps through the cosmic filaments.

Molecular frame and recoil frame angular distributions in dissociative photoionization of small molecules

International Nuclear Information System (INIS)

Lucchese, R R; Carey, R; Elkharrat, C; Houver, J C; Dowek, D

2008-01-01

Photoelectron angular distributions in the dipole approximation can be written with respect to several different reference frames. A brief review of the molecular frame and recoil frame are given. Experimentally, one approach for obtaining such angular distributions is through angle-resolved coincidence measurements of dissociative ionization. If the system dissociates into two heavy fragments, then the recoil frame angular distribution can be measured. Computed molecular frame and recoil frame photoelectron angular distributions are compared to experimental data for the Cl 2p ionization of CH 3 Cl.

A Missile-Borne Angular Velocity Sensor Based on Triaxial Electromagnetic Induction Coils

Directory of Open Access Journals (Sweden)

Jian Li

2016-09-01

Full Text Available Aiming to solve the problem of the limited measuring range for angular motion parameters of high-speed rotating projectiles in the field of guidance and control, a self-adaptive measurement method for angular motion parameters based on the electromagnetic induction principle is proposed. First, a framework with type bent “I-shape” is used to design triaxial coils in a mutually orthogonal way. Under the condition of high rotational speed of a projectile, the induction signal of the projectile moving across a geomagnetic field is acquired by using coils. Second, the frequency of the pulse signal is adjusted self-adaptively. Angular velocity and angular displacement are calculated in the form of periodic pulse counting and pulse accumulation, respectively. Finally, on the basis of that principle prototype of the sensor is researched and developed, performance of measuring angular motion parameters are tested on the sensor by semi-physical and physical simulation experiments, respectively. Experimental results demonstrate that the sensor has a wide measuring range of angular velocity from 1 rps to 100 rps with a measurement error of less than 0.3%, and the angular displacement measurement error is lower than 0.2°. The proposed method satisfies measurement requirements for high-speed rotating projectiles with an extremely high dynamic range of rotational speed and high precision, and has definite value to engineering applications in the fields of attitude determination and geomagnetic navigation.

Synthesis and characterization β-ketoamine ligands

Science.gov (United States)

Zaid, Nurzati Amani Mohamed; Hassan, Nur Hasyareeda; Karim, Nurul Huda Abd

2018-04-01

β-ketoamine ligands are important members of heterodonor ligand because of their ease of preparation and modification of both steric and/or electronic effects. Complexes with β-ketoamine has received much less attention and there has been no study about this complex with β-ketoamine in ionic liquid reported. Two type of β-ketoamine ligands which are 4-amino-3-pentene-2-onato (A) and 3-amino-2-butenoic acid methyl ester (B) have been synthesized in this work. The resulting compound formed was characterized using standard spectroscopic and structural techniques which includes 1H and 13C, NMR spectroscopy and FTIR spectroscopy. The 1H and 13C NMR spectrum displayed all the expected signals with correct integration and multiplicity. And it is proved that there are some differences between two ligands as observed in NMR and FTIR spectrum.

Spatial Angular Compounding for Elastography without the Incompressibility Assumption

OpenAIRE

Rao, Min; Varghese, Tomy

2005-01-01

Spatial-angular compounding is a new technique that enables the reduction of noise artifacts in ultrasound elastography. Previous results using spatial angular compounding, however, were based on the use of the tissue incompressibility assumption. Compounded elastograms were obtained from a spatially-weighted average of local strain estimated from radiofrequency echo signals acquired at different insonification angles. In this paper, we present a new method for reducing the noise artifacts in...

Designer TGFβ superfamily ligands with diversified functionality.

Directory of Open Access Journals (Sweden)

George P Allendorph

Full Text Available Transforming Growth Factor--beta (TGFβ superfamily ligands, including Activins, Growth and Differentiation Factors (GDFs, and Bone Morphogenetic Proteins (BMPs, are excellent targets for protein-based therapeutics because of their pervasiveness in numerous developmental and cellular processes. We developed a strategy termed RASCH (Random Assembly of Segmental Chimera and Heteromer, to engineer chemically-refoldable TGFβ superfamily ligands with unique signaling properties. One of these engineered ligands, AB208, created from Activin-βA and BMP-2 sequences, exhibits the refolding characteristics of BMP-2 while possessing Activin-like signaling attributes. Further, we find several additional ligands, AB204, AB211, and AB215, which initiate the intracellular Smad1-mediated signaling pathways more strongly than BMP-2 but show no sensitivity to the natural BMP antagonist Noggin unlike natural BMP-2. In another design, incorporation of a short N-terminal segment from BMP-2 was sufficient to enable chemical refolding of BMP-9, without which was never produced nor refolded. Our studies show that the RASCH strategy enables us to expand the functional repertoire of TGFβ superfamily ligands through development of novel chimeric TGFβ ligands with diverse biological and clinical values.

Problems of angular momentum projection in nuclear physics

Energy Technology Data Exchange (ETDEWEB)

Sorensen, R A [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

1977-05-09

In nuclear models approximate wave functions are often used which do not have sharp angular momentum as required of the exact wave functions. It seems obvious that model wave functions of this type should be improved by projection onto states of good angular momentum. It is not the purpose of this paper to discuss the technical difficulties of projection (which can be formidable for many particle systems), but rather to present in an elementary way certain fundamental ambiguities in the use of projection. An application to high spin states near the yrast line is suggested.

Angular momentum fuctuation energy in the cranking model

International Nuclear Information System (INIS)

Goodman, A.L.

1979-01-01

Angular momentum is approximately projected from Hartree-Fock-Bogoliubov cranked (HFBC) wave functions. At each J the projected energy is Esub(proj)approximately Esub(HFBC). The spin-dependent fluctuation ΔJ includes contributions from Jsub(y) and Jsub(z) as well as Jsub(x). There are no correlations in the three angular momentum components. Projected energies are calculated for 168 170 Yb and 174 Hf. When compared to experimental energies, the projected spectra are less compressed than the HFBC spectra. At low spins the projected and experimental energies are in good agreement. (Aut.)

Four Cases of Angular Cheilitis in Orthodontic Patients

Directory of Open Access Journals (Sweden)

P Kafaie

2006-07-01

Full Text Available Contact dermatitis is an inflammatory reaction of the skin and mucosa to either external or internal factors. It can be divided to two forms of irritant contact dermatitis and allergic contact dermatitis. Nickel is one of the most common materials that causes allergic contact dermatitis and is widely used in orthodontic appliances. The inflammatory reaction to this metal in orthodontics is usually stomatitis and angular cheilitis is very rare. We report 4 cases of angular cheilitis in orthodontic patients and discuss about their causes and treatments.

Angular distributions of nucleons emitted in high energy hadron-nucleus collisions

International Nuclear Information System (INIS)

Strugalski, Z.

1983-01-01

Angular distributions of ''fast'' protons, of kinetic energy from about 20 to about 400 MeV, emitted in pion-xenon nucleus collisions at 3.5 GeV/c momentum were studied in two groups of events - when particles are produced and when particle production does not occur. The distributions are practically the same in both the groups of events and in subgroups of events with various multiplicities of emitted protons. Comparison of angular distributions of protons emitted in pion-xenon nucleus collisions at 3.5 GeV/c momentum with corresponding angular distributions of protons emitted in proton-emulsion collisions at 300-400 GeV/c momentum is performed. Results obtained allow to conclude that average value of the nucleon emission angle and the nucleon angular distributions do not depend practically on the nuclear matter layer thickness the incident hadron collided with. Fast nucleons emitted from the target nucleus seem did not interact inside the parent nucleus. Fast nucleon angular distributions do not depend on the energy of incident hadron, they are the same for pion-nucleus and for proton-nucleus collisions as well

Microstructural evolution of bainitic steel severely deformed by equal channel angular pressing.

Science.gov (United States)

Nili-Ahmadabadi, M; Haji Akbari, F; Rad, F; Karimi, Z; Iranpour, M; Poorganji, B; Furuhara, T

2010-09-01

High Si bainitic steel has been received much of interest because of combined ultra high strength, good ductility along with high wear resistance. In this study a high Si bainitic steel (Fe-0.22C-2.0Si-3.0Mn) was used with a proper microstructure which could endure severe plastic deformation. In order to study the effect of severe plastic deformation on the microstructure and properties of bainitic steel, Equal Channel Angular Pressing was performed in two passes at room temperature. Optical, SEM and TEM microscopies were used to examine the microstructure of specimens before and after Equal Channel Angular Pressing processing. X-ray diffraction was used to measure retained austenite after austempering and Equal Channel Angular Pressing processing. It can be seen that retained austenite picks had removed after Equal Channel Angular Pressing which could attributed to the transformation of austenite to martensite during severe plastic deformation. Enhancement of hardness values by number of Equal Channel Angular Pressing confirms this idea.

Multichannel system for angular distribution measurements

International Nuclear Information System (INIS)

Burjan, V.; Kroha, V.; Putz, K.

A description is given of the individual blocks of the spectrometric apparatus used for measuring the angular distribution of particle spectra and excitation functions of (d,p) reactions at an electrostatic accelerator and the U-120 M cyclotron, both operating at the Nuclear Physics Institute of the Czechoslovak Academy of Sciences at Rez. Main attention was devoted to attaining maximum energy resolution at a high measurement efficiency, this by installing 8 independent spectrometric chains allowing simultaneous measurement of angular distribution in 8 points of the beam. The semiconductor detectors were cooled to -40 degC to -60 degC, which significantly reduced the level of inherent detector noise. An energy resolution of 13 keV was attained using Tesla detectors at a particle energy of 11 MeV. A brief review of data processing and software is given. (B.S.)

Prediction of GPCR-Ligand Binding Using Machine Learning Algorithms

Directory of Open Access Journals (Sweden)

Sangmin Seo

2018-01-01

Full Text Available We propose a novel method that predicts binding of G-protein coupled receptors (GPCRs and ligands. The proposed method uses hub and cycle structures of ligands and amino acid motif sequences of GPCRs, rather than the 3D structure of a receptor or similarity of receptors or ligands. The experimental results show that these new features can be effective in predicting GPCR-ligand binding (average area under the curve [AUC] of 0.944, because they are thought to include hidden properties of good ligand-receptor binding. Using the proposed method, we were able to identify novel ligand-GPCR bindings, some of which are supported by several studies.

New pinene-derived pyridines as bidentate chiral ligands

Czech Academy of Sciences Publication Activity Database

Malkov, A. V.; Stewart-Liddon, A.; Teplý, Filip; Kobr, L.; Muir, K. W.; Haigh, D.; Kočovský, P.

2008-01-01

Roč. 64, č. 18 (2008), s. 4011-4025 ISSN 0040-4020 Institutional research plan: CEZ:AV0Z40550506 Keywords : chiral ligands * transition metal catalysis * asymmetric catalysis * pyridine ligands * oxazoline ligands Subject RIV: CC - Organic Chemistry Impact factor: 2.897, year: 2008

Recursive generation of Cartesian angular momentum coupling trees for SO(3)

International Nuclear Information System (INIS)

Sherborne, B.S.; Stedman, G.E.

1990-01-01

Two computer algorithms are evaluated for the reduction of angular momentum coupling trees with vector (j=1) terminals with a Cartesian choice of basis as used in nonlinear optics. Rather than employ advanced tensor algebra, both methods essentially iterate in distinct ways the basic techniques of angular momentum coupling. Turbo Pascal programs implementing these algorithms are presented and compared. The accompanying analysis integrates the Cartesian tensor approach and the diagrammatic approach to the solution of problems in nonlinear optics. The programs generate TeX files for the relevant angular momentum diagrams. (orig.)

Angular momentum transfer in deep inelastic heavy ion collisions. Part 2

International Nuclear Information System (INIS)

Barbosa, V.C.; Soares, P.C.; Oliveira, Edgar C. de; Gomes, Luiz Carlos

1985-01-01

The Fokker-Planck equation which describes the angular momentum transfer in deep inelastic heavy ion collisions is solved by a stochastic simulation procedure. The fusion cross section calculation is discussed. The calculations show that the critical orbital angular momentum does not play such a special role as in the deterministic case. The results of all the angular momentum transfer and their fluctuations are calculated and compared with experimental results for the reactions 86 Kr+ 154 Sm at 610 MeV, 165 Ho+ 148 Sm, and 165 Ho+ 176 Yb at 1400 MeV. (Author) [pt

Helicon modes in uniform plasmas. III. Angular momentum

International Nuclear Information System (INIS)

Stenzel, R. L.; Urrutia, J. M.

2015-01-01

Helicons are electromagnetic waves with helical phase fronts propagating in the whistler mode in magnetized plasmas and solids. They have similar properties to electromagnetic waves with angular momentum in free space. Helicons are circularly polarized waves carrying spin angular momentum and orbital angular momentum due to their propagation around the ambient magnetic field B 0 . These properties have not been considered in the community of researchers working on helicon plasma sources, but are the topic of the present work. The present work focuses on the field topology of helicons in unbounded plasmas, not on helicon source physics. Helicons are excited in a large uniform laboratory plasma with a magnetic loop antenna whose dipole axis is aligned along or across B 0 . The wave fields are measured in orthogonal planes and extended to three dimensions (3D) by interpolation. Since density and B 0 are uniform, small amplitude waves from loops at different locations can be superimposed to generate complex antenna patterns. With a circular array of phase shifted loops, whistler modes with angular and axial wave propagation, i.e., helicons, are generated. Without boundaries radial propagation also arises. The azimuthal mode number m can be positive or negative while the field polarization remains right-hand circular. The conservation of energy and momentum implies that these field quantities are transferred to matter which causes damping or reflection. Wave-particle interactions with fast electrons are possible by Doppler shifted resonances. The transverse Doppler shift is demonstrated. Wave-wave interactions are also shown by showing collisions between different helicons. Whistler turbulence does not always have to be created by nonlinear wave-interactions but can also be a linear superposition of waves from random sources. In helicon collisions, the linear and/or orbital angular momenta can be canceled, which results in a great variety of field topologies. The work

Cosmology Large Angular Scale Surveyor (CLASS) Focal Plane Development

Science.gov (United States)

Chuss, D. T.; Ali, A.; Amiri, M.; Appel, J.; Bennett, C. L.; Colazo, F.; Denis, K. L.; Dunner, R.; Essinger-Hileman, T.; Eimer, J.;

Measuring Average Angular Velocity with a Smartphone Magnetic Field Sensor

Science.gov (United States)

Pili, Unofre; Violanda, Renante

2018-01-01

The angular velocity of a spinning object is, by standard, measured using a device called a tachometer. However, by directly using it in a classroom setting, the activity is likely to appear as less instructive and less engaging. Indeed, some alternative classroom-suitable methods for measuring angular velocity have been presented. In this paper,…

Singularity in the Laboratory Frame Angular Distribution Derived in Two-Body Scattering Theory

Science.gov (United States)

Dick, Frank; Norbury, John W.

2009-01-01

The laboratory (lab) frame angular distribution derived in two-body scattering theory exhibits a singularity at the maximum lab scattering angle. The singularity appears in the kinematic factor that transforms the centre of momentum (cm) angular distribution to the lab angular distribution. We show that it is caused in the transformation by the…

Time variations of the angular momentum of the sun

International Nuclear Information System (INIS)

Schatten, K.H.

1977-01-01

Time variations of density models of the Sun are investigated. This is an attempt to estimate the changing moment of inertia of the Sun in order to calculate the internal solar angular velocity based upon Newton's equation of motion. Previous estimates of dI/dt disagree with those based upon central densities in a homologously contracting model. It is shown that the homologously contracting model leads to large errors in dI/dt. Based upon an integration of Sears's solar model, dI/dt=-5.5 x 10 34 gm cm 2 s -1 . This suggests a core angular velocity of /sub thetar-italic/ = (0.15 +- 0.03) x 10 -3 s -1 , corresponding to a period of 0.5 +- 0.1 days, assuming a constant angular velocity with time. The brackets indicate a weighting which is discussed

Self-Adjoint Angular Flux Equation for Coupled Electron-Photon Transport

International Nuclear Information System (INIS)

Liscum-Powell, J.L.; Lorence, L.J. Jr.; Morel, J.E.; Prinja, A.K.

1999-01-01

Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere and, like the even- and odd- parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here we apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross-sections from the CEPXS code and S n discretization

Self-adjoint angular flux equation for coupled electron-photon transport

International Nuclear Information System (INIS)

Liscum-Powell, J.L.; Prinja, A.K.; Morel, J.E.; Lorence, L.J. Jr.

1999-01-01

Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self-adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere, and, like the even- and odd-parity form, S n source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here, the authors apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross sections from the CEPXS code and S n discretization

Glucagon-like peptide-1 receptor ligand interactions: structural cross talk between ligands and the extracellular domain.

Directory of Open Access Journals (Sweden)

Graham M West

Full Text Available Activation of the glucagon-like peptide-1 receptor (GLP-1R in pancreatic β-cells potentiates insulin production and is a current therapeutic target for the treatment of type 2 diabetes mellitus (T2DM. Like other class B G protein-coupled receptors (GPCRs, the GLP-1R contains an N-terminal extracellular ligand binding domain. N-terminal truncations on the peptide agonist generate antagonists capable of binding to the extracellular domain, but not capable of activating full length receptor. The main objective of this study was to use Hydrogen/deuterium exchange (HDX to identify how the amide hydrogen bonding network of peptide ligands and the extracellular domain of GLP-1R (nGLP-1R were altered by binding interactions and to then use this platform to validate direct binding events for putative GLP-1R small molecule ligands. The HDX studies presented here for two glucagon-like peptide-1 receptor (GLP-1R peptide ligands indicates that the antagonist exendin-4[9-39] is significantly destabilized in the presence of nonionic detergents as compared to the agonist exendin-4. Furthermore, HDX can detect stabilization of exendin-4 and exendin-4[9-39] hydrogen bonding networks at the N-terminal helix [Val19 to Lys27] upon binding to the N-terminal extracellular domain of GLP-1R (nGLP-1R. In addition we show hydrogen bonding network stabilization on nGLP-1R in response to ligand binding, and validate direct binding events with the extracellular domain of the receptor for putative GLP-1R small molecule ligands.

How we are building a complex Angular 2 application at Inspire

CERN Multimedia

CERN. Geneva

2017-01-01

In this talk, at first we will talk about some basic and advanced Angular 2 concepts, then we will share our experiences with Angular 2 that we had so far while building a complex library and web applications at Inspire.

EXAFS Studies of Some Copper(II) Mixed-Ligand Complexes

International Nuclear Information System (INIS)

Joshi, S. K.; Katare, R. K.; Shrivastava, B. D.

2007-01-01

X-ray K-absorption spectroscopic studies have been carried out on copper (II) mixed-ligand complexes with glutamic acid and aspartic acid as the primary ligands, where as water, pyridine, imidazole and benz-imidazole have been used as secondary ligands. Chemical shifts obtained from the X-ray absorption data have indicated that the glutamic acid complexes are more ionic as compared to their corresponding aspartic acid complexes having similar secondary ligands. Further, we have estimated the average metal-ligand bond distances from the from structure data. For the different complexes studied under the present investigation, the studies reveal that the bonding parameter α1 decreases with the increase in the percentage covalency of the metal-ligand bond. Thus, the bonding parameter α1 may be used for the estimation of percentage covalency of the metal-ligand bond in other similar complexes

Satellite Angular Velocity Estimation Based on Star Images and Optical Flow Techniques

Directory of Open Access Journals (Sweden)

Giancarmine Fasano

2013-09-01

Full Text Available An optical flow-based technique is proposed to estimate spacecraft angular velocity based on sequences of star-field images. It does not require star identification and can be thus used to also deliver angular rate information when attitude determination is not possible, as during platform de tumbling or slewing. Region-based optical flow calculation is carried out on successive star images preprocessed to remove background. Sensor calibration parameters, Poisson equation, and a least-squares method are then used to estimate the angular velocity vector components in the sensor rotating frame. A theoretical error budget is developed to estimate the expected angular rate accuracy as a function of camera parameters and star distribution in the field of view. The effectiveness of the proposed technique is tested by using star field scenes generated by a hardware-in-the-loop testing facility and acquired by a commercial-off-the shelf camera sensor. Simulated cases comprise rotations at different rates. Experimental results are presented which are consistent with theoretical estimates. In particular, very accurate angular velocity estimates are generated at lower slew rates, while in all cases the achievable accuracy in the estimation of the angular velocity component along boresight is about one order of magnitude worse than the other two components.

Nuclear level density variation with angular momentum induced shape transition

International Nuclear Information System (INIS)

Aggarwal, Mamta

2016-01-01

Variation of Nuclear level density (NLD) with the excitation energy and angular momentum in particular has been a topic of interest in the recent past and there have been continuous efforts in this direction on the theoretical and experimental fronts but a conclusive trend in the variation of nuclear level density parameter with angular momentum has not been achieved so far. A comprehensive investigation of N=68 isotones around the compound nucleus 119 Sb from neutron rich 112 Ru (Z=44) to neutron deficient 127 Pr (Z= 59) nuclei is presented to understand the angular momentum induced variations in inverse level density parameter and the possible influence of deformation and structural transitions on the variations on NLd

Gamma-gamma angular correlation measurement in the 100 Ru

International Nuclear Information System (INIS)

Kenchian, G.

1990-01-01

An angular correlation automatic spectrometer with two Ge(Li) detectors has been developed. The spectrometer moves automatically, controlled by a microcomputer. The gamma-gamma directional angular correlations of coincidence transitions have been measured in 100 Ru nuclide, following the β + and electron capture of 100 Rh. The 100 Rh source has been produced with 100 Ru(p,n) 100 Rh reaction, using the proton beam of the Cyclotron Accelerator insiding in 100 Ru isotope. (author)

Shape coexistence in 72Kr at finite angular momentum

International Nuclear Information System (INIS)

Almehed, Daniel; Walet, Niels R.

2004-01-01

We investigate shape coexistence in a rotating nucleus. We concentrate on the case of 72 Kr which exhibits an interesting interplay between prolate and oblate shaped states as a function of angular momentum. The calculation uses the local harmonic version of the method of self-consistent adiabatic large-amplitude collective motion. We analyse how the collective behaviour of the system changes with angular momentum and we focus on the role of non-axial shapes

Interactions between alkaline earth cations and oxo ligands. DFT study of the affinity of the Mg²+ cation for phosphoryl ligands.

Science.gov (United States)

da Costa, Leonardo Moreira; de Mesquita Carneiro, José Walkimar; Paes, Lilian Weitzel Coelho

2011-08-01

DFT (B3LYP/6-31+G(d)) calculations of Mg(2+) affinities for a set of phosphoryl ligands were performed. Two types of ligands were studied: a set of trivalent [O = P(R)] and a set of pentavalent phosphoryl ligands [O = P(R)(3)] (R = H, F, Cl, Br, OH, OCH(3), CH(3), CN, NH(2) and NO(2)), with R either bound directly to the phosphorus atom or to the para position of a phenyl ring. The affinity of the Mg(2+) cation for the ligands was quantified by means of the enthalpy for the substitution of one water molecule in the [Mg(H(2)O)(6)](2+) complex for a ligand. The enthalpy of substitution was correlated with electronic and geometric parameters. Electron-donor groups increase the interaction between the cation and the ligand, while electron-acceptor groups decrease the interaction enthalpy.

A neural circuit for angular velocity computation

Directory of Open Access Journals (Sweden)

Samuel B Snider

2010-12-01

Full Text Available In one of the most remarkable feats of motor control in the animal world, some Diptera, such as the housefly, can accurately execute corrective flight maneuvers in tens of milliseconds. These reflexive movements are achieved by the halteres, gyroscopic force sensors, in conjunction with rapidly-tunable wing-steering muscles. Specifically, the mechanosensory campaniform sensilla located at the base of the halteres transduce and transform rotation-induced gyroscopic forces into information about the angular velocity of the fly's body. But how exactly does the fly's neural architecture generate the angular velocity from the lateral strain forces on the left and right halteres? To explore potential algorithms, we built a neuro-mechanical model of the rotation detection circuit. We propose a neurobiologically plausible method by which the fly could accurately separate and measure the three-dimensional components of an imposed angular velocity. Our model assumes a single sign-inverting synapse and formally resembles some models of directional selectivity by the retina. Using multidimensional error analysis, we demonstrate the robustness of our model under a variety of input conditions. Our analysis reveals the maximum information available to the fly given its physical architecture and the mathematics governing the rotation-induced forces at the haltere's end knob.

Semiconductor Quantum Dots with Photoresponsive Ligands.

Science.gov (United States)

Sansalone, Lorenzo; Tang, Sicheng; Zhang, Yang; Thapaliya, Ek Raj; Raymo, Françisco M; Garcia-Amorós, Jaume

2016-10-01

Photochromic or photocaged ligands can be anchored to the outer shell of semiconductor quantum dots in order to control the photophysical properties of these inorganic nanocrystals with optical stimulations. One of the two interconvertible states of the photoresponsive ligands can be designed to accept either an electron or energy from the excited quantum dots and quench their luminescence. Under these conditions, the reversible transformations of photochromic ligands or the irreversible cleavage of photocaged counterparts translates into the possibility to switch luminescence with external control. As an alternative to regulating the photophysics of a quantum dot via the photochemistry of its ligands, the photochemistry of the latter can be controlled by relying on the photophysics of the former. The transfer of excitation energy from a quantum dot to a photocaged ligand populates the excited state of the species adsorbed on the nanocrystal to induce a photochemical reaction. This mechanism, in conjunction with the large two-photon absorption cross section of quantum dots, can be exploited to release nitric oxide or to generate singlet oxygen under near-infrared irradiation. Thus, the combination of semiconductor quantum dots and photoresponsive ligands offers the opportunity to assemble nanostructured constructs with specific functions on the basis of electron or energy transfer processes. The photoswitchable luminescence and ability to photoinduce the release of reactive chemicals, associated with the resulting systems, can be particularly valuable in biomedical research and can, ultimately, lead to the realization of imaging probes for diagnostic applications as well as to therapeutic agents for the treatment of cancer.

Canonical three-body angular basis

International Nuclear Information System (INIS)

Matveenko, A.V.

2001-01-01

Three-body problems are basic for the quantum mechanics of molecular, atomic, or nuclear systems. We demonstrate that their variational solution for rotational states can be greatly simplified. A special choice of coordinates (hyperspherical) and of the kinematics (body-fixed coordinate frame) allows one to choose basis functions in a form that makes the angular coupling trivial. (author)

Angular overlap model in actinides

International Nuclear Information System (INIS)

Gajek, Z.; Mulak, J.

1991-01-01

Quantitative foundations of the Angular Overlap Model in actinides based on ab initio calculations of the crystal field effect in the uranium (III) (IV) and (V) ions in various crystals are presented. The calculations justify some common simplifications of the model and fix up the relations between the AOM parameters. Traps and limitations of the AOM phenomenology are discussed

Angular overlap model in actinides

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z.; Mulak, J. (Polska Akademia Nauk, Wroclaw (PL). Inst. Niskich Temperatur i Badan Strukturalnych)

1991-01-01

Quantitative foundations of the Angular Overlap Model in actinides based on ab initio calculations of the crystal field effect in the uranium (III) (IV) and (V) ions in various crystals are presented. The calculations justify some common simplifications of the model and fix up the relations between the AOM parameters. Traps and limitations of the AOM phenomenology are discussed.

Discovering protein-ligand chalcogen bonding in the protein data bank using endocyclic sulfur-containing heterocycles as ligand search subsets.

Science.gov (United States)

Mitchell, Miguel O

2017-09-24

The chalcogen bond, the noncovalent, electrostatic attraction between covalently bonded atoms in group 16 and Lewis bases, is present in protein-ligand interactions based on X-ray structures deposited in the Protein Data Bank (PDB). Discovering protein-ligand chalcogen bonding in the PDB employed a strategy that focused on searching the database for protein complexes of five-membered, heterocyclic ligands containing endocyclic sulfur with endo electron-withdrawing groups (isothiazoles; thiazoles; 1,2,3-, 1,2.4-, 1,2,5-, 1,3,4-thiadiazoles) and thiophenes with exo electron-withdrawing groups, e.g., 2-chloro, 2-bromo, 2-amino, 2-alkylthio. Out of 930 ligands investigated, 33 or 3.5% have protein-ligand S---O interactions of which 31 are chalcogen bonds and two appear to be S---HO hydrogen bonds. The bond angles for some of the chalcogen bonds found in the PDB are less than 90°, and an electrostatic model is proposed to explain this phenomenon.

Angular circulation speed of tablets in a vibratory tablet coating pan.

Science.gov (United States)

Kumar, Rahul; Wassgren, Carl

2013-03-01

In this work, a single tablet model and a discrete element method (DEM) computer simulation are developed to obtain the angular circulation speed of tablets in a vibratory tablet coating pan for range of vibration frequencies and amplitudes. The models identify three important dimensionless parameters that influence the speed of the tablets: the dimensionless amplitude ratio (a/R), the Froude number (aω2/g), and the tablet-wall friction coefficient, where a is the peak vibration amplitude at the drum center, ω is the vibration angular frequency, R is the drum radius, and g is the acceleration due to gravity. The models predict that the angular circulation speed of tablets increases with an increase in each of these parameters. The rate of increase in the angular circulation speed is observed to decrease for larger values of a/R. The angular circulation speed reaches an asymptote beyond a tablet-wall friction coefficient value of about 0.4. Furthermore, it is found that the Froude number should be greater than one for the tablets to start circulating. The angular circulation speed increases as Froude number increases but then does not change significantly at larger values of the Froude number. Period doubling, where the motion of the bed is repeated every two cycles, occurs at a Froude number larger than five. The single tablet model, although much simpler than the DEM model, is able to predict the maximum circulation speed (the limiting case for a large value of tablet-wall friction coefficient) as well as the transition to period doubling.

Angular dependence of the nanoDot OSL dosimeter

International Nuclear Information System (INIS)

Kerns, James R.; Kry, Stephen F.; Sahoo, Narayan; Followill, David S.; Ibbott, Geoffrey S.

2011-01-01

Purpose: Optically stimulated luminescent detectors (OSLDs) are quickly gaining popularity as passive dosimeters, with applications in medicine for linac output calibration verification, brachytherapy source verification, treatment plan quality assurance, and clinical dose measurements. With such wide applications, these dosimeters must be characterized for numerous factors affecting their response. The most abundant commercial OSLD is the InLight/OSL system from Landauer, Inc. The purpose of this study was to examine the angular dependence of the nanoDot dosimeter, which is part of the InLight system. Methods: Relative dosimeter response data were taken at several angles in 6 and 18 MV photon beams, as well as a clinical proton beam. These measurements were done within a phantom at a depth beyond the build-up region. To verify the observed angular dependence, additional measurements were conducted as well as Monte Carlo simulations in MCNPX. Results: When irradiated with the incident photon beams parallel to the plane of the dosimeter, the nanoDot response was 4% lower at 6 MV and 3% lower at 18 MV than the response when irradiated with the incident beam normal to the plane of the dosimeter. Monte Carlo simulations at 6 MV showed similar results to the experimental values. Examination of the results in Monte Carlo suggests the cause as partial volume irradiation. In a clinical proton beam, no angular dependence was found. Conclusions: A nontrivial angular response of this OSLD was observed in photon beams. This factor may need to be accounted for when evaluating doses from photon beams incident from a variety of directions.

Distribution of the angular momentum in the Galaxy and M31

International Nuclear Information System (INIS)

Einasto, J.; Traat, P.

1977-01-01

The angular momentum distribution of the Galaxy and of the Andromeda galaxy M31 has been calculated separately for the disk and halo population. The disk was approximated with a ring. The distribution of the angular momentum in the disk and the halo is different

Diffraction by a plane angular sector, a new derivation

DEFF Research Database (Denmark)

Hansen, Thokild B.

1990-01-01

An alternative derivation is given for the exact solution to the scattering problem in which a Hertz dipole illuminates a perfectly conducting plane angular sector. Specifically, the Ohm-Rayleigh method is used rather than that of Satterwhite (1969)......An alternative derivation is given for the exact solution to the scattering problem in which a Hertz dipole illuminates a perfectly conducting plane angular sector. Specifically, the Ohm-Rayleigh method is used rather than that of Satterwhite (1969)...

Effects of angular misalignment on optical klystron undulator radiation

Energy Technology Data Exchange (ETDEWEB)

Mishra, G., E-mail: gmishra_dauniv@yahoo.co.in; Prakash, Bramh; Gehlot, Mona

2015-11-21

In this paper ,we analyze the important effects of optical klystron undulator radiation with an angular offset of the relativistic electron beam in the second undulator section. An anlytical expression for the undulator radiation is obtained through a transparent and simple procedure.It is shown that the effects of the angular offset is more severe for longer undulator lengths and with higher dispersive field strengths.Both these effects are less pronounced for undulators with large K values.

Massive star formation by accretion. II. Rotation: how to circumvent the angular momentum barrier?

Science.gov (United States)

Haemmerlé, L.; Eggenberger, P.; Meynet, G.; Maeder, A.; Charbonnel, C.; Klessen, R. S.

2017-06-01

Context. Rotation plays a key role in the star-formation process, from pre-stellar cores to pre-main-sequence (PMS) objects. Understanding the formation of massive stars requires taking into account the accretion of angular momentum during their PMS phase. Aims: We study the PMS evolution of objects destined to become massive stars by accretion, focusing on the links between the physical conditions of the environment and the rotational properties of young stars. In particular, we look at the physical conditions that allow the production of massive stars by accretion. Methods: We present PMS models computed with a new version of the Geneva Stellar Evolution code self-consistently including accretion and rotation according to various accretion scenarios for mass and angular momentum. We describe the internal distribution of angular momentum in PMS stars accreting at high rates and we show how the various physical conditions impact their internal structures, evolutionary tracks, and rotation velocities during the PMS and the early main sequence. Results: We find that the smooth angular momentum accretion considered in previous studies leads to an angular momentum barrier and does not allow the formation of massive stars by accretion. A braking mechanism is needed in order to circumvent this angular momentum barrier. This mechanism has to be efficient enough to remove more than two thirds of the angular momentum from the inner accretion disc. Due to the weak efficiency of angular momentum transport by shear instability and meridional circulation during the accretion phase, the internal rotation profiles of accreting stars reflect essentially the angular momentum accretion history. As a consequence, careful choice of the angular momentum accretion history allows circumvention of any limitation in mass and velocity, and production of stars of any mass and velocity compatible with structure equations.

Characteristic evolutions in numerical relativity using six angular patches

International Nuclear Information System (INIS)

Reisswig, Christian; Bishop, Nigel T; Lai, Chi Wai; Thornburg, Jonathan; Szilagyi, Bela

2007-01-01

The characteristic approach to numerical relativity is a useful tool in evolving gravitational systems. In the past this has been implemented using two patches of stereographic angular coordinates. In other applications, a six-patch angular coordinate system has proved effective. Here we investigate the use of a six-patch system in characteristic numerical relativity, by comparing an existing two-patch implementation (using second-order finite differencing throughout) with a new six-patch implementation (using either second- or fourth-order finite differencing for the angular derivatives). We compare these different codes by monitoring the Einstein constraint equations, numerically evaluated independently from the evolution. We find that, compared to the (second-order) two-patch code at equivalent resolutions, the errors of the second-order six-patch code are smaller by a factor of about 2, and the errors of the fourth-order six-patch code are smaller by a factor of nearly 50

Characteristic evolutions in numerical relativity using six angular patches

Energy Technology Data Exchange (ETDEWEB)

Reisswig, Christian [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, D-14476 Golm (Germany); Bishop, Nigel T [Department of Mathematical Sciences, University of South Africa, PO Box 392, Unisa 0003, South Africa (South Africa); Lai, Chi Wai [Department of Mathematical Sciences, University of South Africa, PO Box 392, Unisa 0003, South Africa (South Africa); Thornburg, Jonathan [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, D-14476 Golm (Germany); Szilagyi, Bela [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, D-14476 Golm (Germany)

2007-06-21

The characteristic approach to numerical relativity is a useful tool in evolving gravitational systems. In the past this has been implemented using two patches of stereographic angular coordinates. In other applications, a six-patch angular coordinate system has proved effective. Here we investigate the use of a six-patch system in characteristic numerical relativity, by comparing an existing two-patch implementation (using second-order finite differencing throughout) with a new six-patch implementation (using either second- or fourth-order finite differencing for the angular derivatives). We compare these different codes by monitoring the Einstein constraint equations, numerically evaluated independently from the evolution. We find that, compared to the (second-order) two-patch code at equivalent resolutions, the errors of the second-order six-patch code are smaller by a factor of about 2, and the errors of the fourth-order six-patch code are smaller by a factor of nearly 50.

Problems of angular momentum projection in nuclear physics

International Nuclear Information System (INIS)

Sorensen, R.A.

1977-01-01

In nuclear models approximate wave functions are often used which do not have sharp angular momentum as required of the exact wave functions. It seems obvious that model wave functions of this type should be improved by projection onto states of good angular momentum. It is not the purpose of this paper to discuss the technical difficulties of projection (which can be formidable for many particle systems), but rather to present in an elementary way certain fundamental ambiguities in the use of projection. An application to high spin states near the yrast line is suggested. (Auth.)

Gamma-ray angular distribution and correlation measurement. II

International Nuclear Information System (INIS)

Twin, P.J.

1975-01-01

Angular correlations of γ-rays following nuclear reactions depend, in general, on some alignment of the γ-emitting initial state. The methods of alignment are briefly discussed and then the techniques and experimental methods associated with direct angular distributions, particle-gamma correlations, gamma-gamma correlations and linear polarization correlations are dealt with. Finally the inherent ambiguities which arise when different spin and delta values give identical correlations are discussed for the simple direct and particle-gamma correlations together with the question whether the larger information content of gamma-gamma and linear polarization correlations can resolve these ambiguities. (Auth.)

A tandem regression-outlier analysis of a ligand cellular system for key structural modifications around ligand binding.

Science.gov (United States)

Lin, Ying-Ting

2013-04-30

A tandem technique of hard equipment is often used for the chemical analysis of a single cell to first isolate and then detect the wanted identities. The first part is the separation of wanted chemicals from the bulk of a cell; the second part is the actual detection of the important identities. To identify the key structural modifications around ligand binding, the present study aims to develop a counterpart of tandem technique for cheminformatics. A statistical regression and its outliers act as a computational technique for separation. A PPARγ (peroxisome proliferator-activated receptor gamma) agonist cellular system was subjected to such an investigation. Results show that this tandem regression-outlier analysis, or the prioritization of the context equations tagged with features of the outliers, is an effective regression technique of cheminformatics to detect key structural modifications, as well as their tendency of impact to ligand binding. The key structural modifications around ligand binding are effectively extracted or characterized out of cellular reactions. This is because molecular binding is the paramount factor in such ligand cellular system and key structural modifications around ligand binding are expected to create outliers. Therefore, such outliers can be captured by this tandem regression-outlier analysis.

Angular distribution of diffuse reflectance from incoherent multiple scattering in turbid media.

Science.gov (United States)

Gao, M; Huang, X; Yang, P; Kattawar, G W

2013-08-20

The angular distribution of diffuse reflection is elucidated with greater understanding by studying a homogeneous turbid medium. We modeled the medium as an infinite slab and studied the reflection dependence on the following three parameters: the incident direction, optical depth, and asymmetry factor. The diffuse reflection is produced by incoherent multiple scattering and is solved through radiative transfer theory. At large optical depths, the angular distribution of the diffuse reflection with small incident angles is similar to that of a Lambertian surface, but, with incident angles larger than 60°, the angular distributions have a prominent reflection peak around the specular reflection angle. These reflection peaks are found originating from the scattering within one transport mean free path in the top layer of the medium. The maximum reflection angles for different incident angles are analyzed and can characterize the structure of angular distributions for different asymmetry factors and optical depths. The properties of the angular distribution can be applied to more complex systems for a better understanding of diffuse reflection.

Nutritional status, oral hygiene and Angular cheilitis in schoolchildren in Cianjur district, West Java

Directory of Open Access Journals (Sweden)

Fatimah Boenjamin Partakusuma

2017-08-01

Full Text Available Background: Angular cheilitis is a lesion at the corner of the mouth. Clinically, it is visible as an erythema and ulceration that occasionally extend beyond the vermillion border onto the skin. Anemia in children is an issue of global nutritional problems that need attention. The objectives of the study  was to determine the association between nutritional status, oral hygiene  and angular cheilitis in elementary schoolchildren in District of Cianjur. Methods: This cross sectional study was conducted on 349 schoolchildren in five Subdistrict of Cianjur. Angular cheilitis status was determined based on the criteria set by Ohman (1986. Anhropometric status was determined by CDC BMI-for-age percentile growth chart. Anemia status was determine by the level of hemoglobin concentration using the HemoCue device. Oral hygiene was measured by OHI-S index. Results: The prevalence of angular cheilitis, anemia, wasting and poor oral hygiene were: 62.5%, 12,6%, 20.6%, and 67.3%, respectively. There are no relationships between  anthropometric status, oral hygiene and angular cheilitis. (p> 0.05. However there is a relationship significant relationship beween anemia and angular cheilitis (p <0.05. Logistic regression test showed that anemia is a risk factor on the occurrence of angular cheilitis. Conclusion: Anemia is a factor on the occurrence of angular cheilitis in schoolchildren in Cianjur.

Angular momentum in non-relativistic QED and photon contribution to spin of hydrogen atom

International Nuclear Information System (INIS)

Chen Panying; Ji Xiangdong; Xu Yang; Zhang Yue

2010-01-01

We study angular momentum in non-relativistic quantum electrodynamics (NRQED). We construct the effective total angular momentum operator by applying Noether's theorem to the NRQED lagrangian. We calculate the NRQED matching for the individual components of the QED angular momentum up to one loop. We illustrate an application of our results by the first calculation of the angular momentum of the ground state hydrogen atom carried in radiative photons, α em 3 /18π, which might be measurable in future atomic experiments.

Polarization-Dependent Measurements of Molecular Super Rotors with Oriented Angular Momenta

Science.gov (United States)

Murray, Matthew J.; Toro, Carlos; Liu, Qingnan; Mullin, Amy S.

2014-05-01

Controlling molecular motion would enable manipulation of energy flow between molecules. Here we have used an optical centrifuge to investigate energy transfer between molecular super rotors with oriented angular momenta. The polarizable electron cloud of the molecules interacts with the electric field of linearly polarized light that angularly accelerates over the time of the optical pulse. This process drives molecules into high angular momentum states that are oriented with the optical field and have energies far from equilibrium. High resolution transient IR spectroscopy reveals the dynamics of collisional energy transfer for these super excited rotors. The results of this study leads to a more fundamental understanding of energy balance in non-equilibrium environments and the physical and chemical properties of gases in a new regime of energy states. Results will be presented for several super rotor species including carbon monoxide, carbon dioxide, and acetylene. Polarization-dependent measurements reveal the extent to which the super rotors maintain spatial orientation of high angular momentum states.

Angular dependence of dose equivalent response of an albedo neutron dosimeter

International Nuclear Information System (INIS)

Torres, B.A.; Boswell, E.; Schwartz, R.B.

1994-01-01

The ANSI provides procedures for testing the performance of dosimetry services. Although neutron dose equivalent angular response studies are not now mandated, future standards may well require that such studies be performed. Current studies with an albedo dosimeter will yield information regarding the angular dependence of dose equivalent response for this type of personnel dosimeter. Preliminary data for bare 252 Cf fluences show a marked decrease in dosimeter reading with increasing angle. The response decreased by an approximate factor of four. For the horizontal orientation, the same response was noted from both positive and negative angles. However, for the vertical orientation, the response was unexplainably assymetric. We are also examining the response of the personnel badge in moderated 252 Cf fluences. Responses from the moderated and unmoderated 252 Cf fields and theoretical calculations of the neutron angular response will be compared. This information will assist in building a data base for future comparisons of neutron angular responses with other neutron albedo dosimeters and phantoms

-Pincer Ligand Family through Ligand Post-Modification

KAUST Repository

Huang, Mei-Hui; Hu, Jinsong; Huang, Kuo-Wei

2017-01-01

A series of air-stable nickel complexes containing triazine-based PN3P-pincer ligands were synthesized and fully characterized. Complex 3 contains a de-aromatized central triazine ring from the deprotonation of one of the N–H arms. With a post-modification strategy, the Me-PN3P*NiCl complex (3) could be converted into a new class of diimine–traizine PN3P-pincer nickel complexes.

-Pincer Ligand Family through Ligand Post-Modification

KAUST Repository

Huang, Mei-Hui

2017-10-02

A series of air-stable nickel complexes containing triazine-based PN3P-pincer ligands were synthesized and fully characterized. Complex 3 contains a de-aromatized central triazine ring from the deprotonation of one of the N–H arms. With a post-modification strategy, the Me-PN3P*NiCl complex (3) could be converted into a new class of diimine–traizine PN3P-pincer nickel complexes.

Two-dimensional angular momentum in the presence of long-range magnetic flux

International Nuclear Information System (INIS)

Jackiw, R.; Redlich, A.N.

1983-01-01

It is shown that eigenvalues of two-dimensional angular momentum remain integer valued in the magnetic field of a solenoid, contrary to published assertions that they are modified by the flux. For a vortex, flux does contribute, and the angular momentum can fractionize, as asserted in the literature, provided phases of wave functions are chosen consistently with the solenoid problem. Long-range effects of flux, the distinction between orbital and canonical angular momentum, and interactions with Cooper pairs are essential to this argument

Database of ligand-induced domain movements in enzymes

Directory of Open Access Journals (Sweden)

Hayward Steven

2009-03-01

Full Text Available Abstract Background Conformational change induced by the binding of a substrate or coenzyme is a poorly understood stage in the process of enzyme catalysed reactions. For enzymes that exhibit a domain movement, the conformational change can be clearly characterized and therefore the opportunity exists to gain an understanding of the mechanisms involved. The development of the non-redundant database of protein domain movements contains examples of ligand-induced domain movements in enzymes, but this valuable data has remained unexploited. Description The domain movements in the non-redundant database of protein domain movements are those found by applying the DynDom program to pairs of crystallographic structures contained in Protein Data Bank files. For each pair of structures cross-checking ligands in their Protein Data Bank files with the KEGG-LIGAND database and using methods that search for ligands that contact the enzyme in one conformation but not the other, the non-redundant database of protein domain movements was refined down to a set of 203 enzymes where a domain movement is apparently triggered by the binding of a functional ligand. For these cases, ligand binding information, including hydrogen bonds and salt-bridges between the ligand and specific residues on the enzyme is presented in the context of dynamical information such as the regions that form the dynamic domains, the hinge bending residues, and the hinge axes. Conclusion The presentation at a single website of data on interactions between a ligand and specific residues on the enzyme alongside data on the movement that these interactions induce, should lead to new insights into the mechanisms of these enzymes in particular, and help in trying to understand the general process of ligand-induced domain closure in enzymes. The website can be found at: http://www.cmp.uea.ac.uk/dyndom/enzymeList.do

Receptor-ligand binding sites and virtual screening.

Science.gov (United States)

Hattotuwagama, Channa K; Davies, Matthew N; Flower, Darren R

2006-01-01

Within the pharmaceutical industry, the ultimate source of continuing profitability is the unremitting process of drug discovery. To be profitable, drugs must be marketable: legally novel, safe and relatively free of side effects, efficacious, and ideally inexpensive to produce. While drug discovery was once typified by a haphazard and empirical process, it is now increasingly driven by both knowledge of the receptor-mediated basis of disease and how drug molecules interact with receptors and the wider physiome. Medicinal chemistry postulates that to understand a congeneric ligand series, or set thereof, is to understand the nature and requirements of a ligand binding site. Likewise, structural molecular biology posits that to understand a binding site is to understand the nature of ligands bound therein. Reality sits somewhere between these extremes, yet subsumes them both. Complementary to rules of ligand design, arising through decades of medicinal chemistry, structural biology and computational chemistry are able to elucidate the nature of binding site-ligand interactions, facilitating, at both pragmatic and conceptual levels, the drug discovery process.

Photofragment angular momentum distribution beyond the axial recoil approximation: Predissociation

International Nuclear Information System (INIS)

Kuznetsov, Vladislav V.; Vasyutinskii, Oleg S.

2007-01-01

We present the quantum mechanical expressions for the angular momentum distribution of the photofragments produced in slow predissociation. The paper is based on our recent theoretical treatment [J. Chem. Phys. 123, 034307 (2005)] of the recoil angle dependence of the photofragment multipole moments which explicitly treat the role of molecular axis rotation on the electronic angular momentum polarization of the fragments. The electronic wave function of the molecule was used in the adiabatic body frame representation. The rigorous expressions for the fragment state multipoles which have been explicitly derived from the scattering wave function formalism have been used for the case of slow predissociation where a molecule lives in the excited quasibound state much longer than a rotation period. Possible radial nonadiabatic interactions were taken into consideration. The optical excitation of a single rotational branch and the broadband incoherent excitation of all possible rotational branches have been analyzed in detail. The angular momentum polarization of the photofragments has been treated in the high-J limit. The polarization of the photofragment angular momenta predicted by the theory depends on photodissociation mechanism and can in many cases be significant

Study of relaxation processes in 'metal-ligand' complexes after electron capture decay using the 111In isotope as an example

International Nuclear Information System (INIS)

Shpinkova, L.G.; Golubeva, A.S.; Ryasny, O.K.; Nikitin, S.M.; Sorokin, A.A.; Uzbyakova, A.S.

2003-01-01

Full text: Complexes of metals with organic ligands are widely used in different scientific and industrial applications, such as analytical chemistry, oil production and refinery, power engineering, water treatment, agriculture, etc. Several hundred complexes are commercially available and there are still intensive works on synthesizing new complexones in order to obtain complexes with required properties. In this connection, it is important to investigate the molecular characteristics of complexes and their structures and correlate with their properties. One of the methods, which proved to provide useful information about metal-ligand complexes behaviour, is the method of time differential perturbed angular γγ-correlation (Tdpa). Numerous works have been devoted to studies of different complexes by this technique. In the Inst. of Nuclear Physics, Lomonosov Moscow State Univ., Moscow, this method was applied to studies of electron capture (EC) after-effects and their influence on the indium-ligand complexes in aqueous solutions. The present work is devoted to studies of relaxation processes in daughter 111 Cd-ligand complexes formed after 111 In EC decay. EC leaves a hole in an inner electronic shell of the daughter atom, which is followed by Auger-process. This process leads to a highly excited state of a daughter atom, which either causes disintegration of a complex into small fragments or relaxation to a stable complex with the daughter atom. TDPAC measurements were performed for a number of 111 In-complexes with acetic and phosphonic ligands. All measurements were performed for neutral aqueous solutions of complexes at room temperature. Three types of molecules containing radioactive daughter 11C d atoms were observed after 111 In decay for all studied complexes. One fraction corresponds to the intact complexes, the second one - to fully disintegrated complexes. The third fraction was characterized by a fast relaxation parameter indicating high transient

The affinity plutonium(IV) for nitrogen donor ligands

International Nuclear Information System (INIS)

Jarvis, N.V.; Hancock, R.D.

1994-01-01

Established ligand design principles are used to predict the solution chemistry of Pu(IV) with nitrogen donor ligands which do not contain carboxylate donors. pK a 's of the nitrogen donors are lowered by addition of hydroxyalkyl groups causing Pu(IV) to have a greater affinity for these ligands than for hydroxide. Potentiometric studies using the ligands N,N,N'N',N''-pentakis(2-hydroxypropyl)-1,4,7-triazaheptane; N,N,N',N',N''-pentakis(2-hydroxyethyl)-1,4,7-triazaheptane; N,N,N',N',N'-tetrakis(2-hydroxyethyl)-1,2-diaminoethane; N,N,N',N'-tetrakis(2-hydroxyethyl)-trans-1,2-diaminocyclohexane; 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane and N,N-bis(2-hydroxyethyl)glycine with Pu(IV) showed that Pu(IV) has a considerable aqueous solution chemistry with these ligands. Data were processed by the ESTA library of programs and stability constants for all the systems are reported. Implications for selective ligand design for Pu(IV) are discussed. (orig.)

A Very Fast and Angular Momentum Conserving Tree Code

International Nuclear Information System (INIS)

Marcello, Dominic C.

2017-01-01

There are many methods used to compute the classical gravitational field in astrophysical simulation codes. With the exception of the typically impractical method of direct computation, none ensure conservation of angular momentum to machine precision. Under uniform time-stepping, the Cartesian fast multipole method of Dehnen (also known as the very fast tree code) conserves linear momentum to machine precision. We show that it is possible to modify this method in a way that conserves both angular and linear momenta.

A Very Fast and Angular Momentum Conserving Tree Code

Energy Technology Data Exchange (ETDEWEB)

Marcello, Dominic C., E-mail: dmarce504@gmail.com [Department of Physics and Astronomy, and Center for Computation and Technology Louisiana State University, Baton Rouge, LA 70803 (United States)

2017-09-01

There are many methods used to compute the classical gravitational field in astrophysical simulation codes. With the exception of the typically impractical method of direct computation, none ensure conservation of angular momentum to machine precision. Under uniform time-stepping, the Cartesian fast multipole method of Dehnen (also known as the very fast tree code) conserves linear momentum to machine precision. We show that it is possible to modify this method in a way that conserves both angular and linear momenta.

Predicting Nanocrystal Shape through Consideration of Surface-Ligand Interactions

KAUST Repository

Bealing, Clive R.

2012-03-27

Density functional calculations for the binding energy of oleic acid-based ligands on Pb-rich {100} and {111} facets of PbSe nanocrystals determine the surface energies as a function of ligand coverage. Oleic acid is expected to bind to the nanocrystal surface in the form of lead oleate. The Wulff construction predicts the thermodynamic equilibrium shape of the PbSe nanocrystals. The equilibrium shape is a function of the ligand surface coverage, which can be controlled by changing the concentration of oleic acid during synthesis. The different binding energy of the ligand on the {100} and {111} facets results in different equilibrium ligand coverages on the facets, and a transition in the equilibrium shape from octahedral to cubic is predicted when increasing the ligand concentration during synthesis. © 2012 American Chemical Society.

Mixed ligand chelates of rare earths in aqueous solution

International Nuclear Information System (INIS)

Lakhani, S.U.; Thakur, G.S.; Sangal, S.P.

1981-01-01

Mixed ligand chelates of the 1:1 trivalent lanthanoids-EDTA, HEDTA and NTA chelates-1, 2-Dihydroxybenzene (Pyrocatechol) have been investigated at 35degC and 0.2 M ionic strength maintained by NaC10 4 . The formation of mixed ligand chelates has been found in all cases. The formation of mixed ligand chelates with EDTA shows the coordination number of lanthanoids to be eight, while the mixed ligand chelates with HEDTA and NTA shows the coordination number to be seven and six respectively. The stability constants of mixed ligand chelates are smaller than the binary complexes. The order of stability constants with respect to primary ligands follows the order NTA>HEDTA>EDTA. With respect to metal ions the stability constants increases with the decrease in ionic radii such as Gd< Er< Yb. (author)

Calculating the mean time to capture for tethered ligands and its effect on the chemical equilibrium of bound ligand pairs.

Science.gov (United States)

Shen, Lu; Decker, Caitlin G; Maynard, Heather D; Levine, Alex J

2016-09-01

We present here the calculation of the mean time to capture of a tethered ligand to the receptor. This calculation is then used to determine the shift in the partitioning between (1) free, (2) singly bound, and (3) doubly bound ligands in chemical equilibrium as a function of the length of the tether. These calculations are used in the research article Fibroblast Growth Factor 2 Dimer with Superagonist in vitro Activity Improves Granulation Tissue Formation During Wound Healing (Decker et al., in press [1]) to explain quantitatively how changes in polymeric linker length in the ligand dimers modifies the efficacy of these molecules relative to that of free ligands.

Importance of the pharmacological profile of the bound ligand in enrichment on nuclear receptors: toward the use of experimentally validated decoy ligands.

Science.gov (United States)

Lagarde, Nathalie; Zagury, Jean-François; Montes, Matthieu

2014-10-27

The evaluation of virtual ligand screening methods is of major importance to ensure their reliability. Taking into account the agonist/antagonist pharmacological profile should improve the quality of the benchmarking data sets since ligand binding can induce conformational changes in the nuclear receptor structure and such changes may vary according to the agonist/antagonist ligand profile. We indeed found that splitting the agonist and antagonist ligands into two separate data sets for a given nuclear receptor target significantly enhances the quality of the evaluation. The pharmacological profile of the ligand bound in the binding site of the target structure was also found to be an additional critical parameter. We also illustrate that active compound data sets for a given pharmacological activity can be used as a set of experimentally validated decoy ligands for another pharmacological activity to ensure a reliable and challenging evaluation of virtual screening methods.

Continuous theta burst stimulation of angular gyrus reduces subjective recollection.

Directory of Open Access Journals (Sweden)

Yasemin Yazar

Full Text Available The contribution of lateral parietal regions such as the angular gyrus to human episodic memory has been the subject of much debate following widespread observations of left parietal activity in healthy volunteers during functional neuroimaging studies of memory retrieval. Patients with lateral parietal lesions are not amnesic, but recent evidence indicates that their memory abilities may not be entirely preserved. Whereas recollection appears intact when objective measures such as source accuracy are used, patients often exhibit reduced subjective confidence in their accurate recollections. When asked to recall autobiographical memories, they may produce spontaneous narratives that lack richness and specificity, but can remember specific details when prompted. Two distinct theoretical accounts have been proposed to explain these results: that the patients have a deficit in the bottom-up capturing of attention by retrieval output, or that they have an impairment in the subjective experience of recollection. The present study aimed to differentiate between these accounts using continuous theta burst stimulation (cTBS in healthy participants to disrupt function of specific left parietal subregions, including angular gyrus. Inconsistent with predictions of the attentional theory, angular gyrus cTBS did not result in greater impairment of free recall than cued recall. Supporting predictions of the subjective recollection account, temporary disruption of angular gyrus was associated with highly accurate source recollection accuracy but a selective reduction in participants' rated source confidence. The findings are consistent with a role for angular gyrus in the integration of memory features into a conscious representation that enables the subjective experience of remembering.

Expression of nociceptive ligands in canine osteosarcoma.

Science.gov (United States)

Shor, S; Fadl-Alla, B A; Pondenis, H C; Zhang, X; Wycislo, K L; Lezmi, S; Fan, T M

2015-01-01

Canine osteosarcoma (OS) is associated with localized pain as a result of tissue injury from tumor infiltration and peritumoral inflammation. Malignant bone pain is caused by stimulation of peripheral pain receptors, termed nociceptors, which reside in the localized tumor microenvironment, including the periosteal and intramedullary bone cavities. Several nociceptive ligands have been determined to participate directly or indirectly in generating bone pain associated with diverse skeletal abnormalities. Canine OS cells actively produce nociceptive ligands with the capacity to directly or indirectly activate peripheral pain receptors residing in the bone tumor microenvironment. Ten dogs with appendicular OS. Expression of nerve growth factor, endothelin-1, and microsomal prostaglandin E synthase-1 was characterized in OS cell lines and naturally occurring OS samples. In 10 dogs with OS, circulating concentrations of nociceptive ligands were quantified and correlated with subjective pain scores and tumor volume in patients treated with standardized palliative therapies. Canine OS cells express and secrete nerve growth factor, endothelin-1, and prostaglandin E2. Naturally occurring OS samples uniformly express nociceptive ligands. In a subset of OS-bearing dogs, circulating nociceptive ligand concentrations were detectable but failed to correlate with pain status. Localized foci of nerve terminal proliferation were identified in a minority of primary bone tumor samples. Canine OS cells express nociceptive ligands, potentially permitting active participation of OS cells in the generation of malignant bone pain. Specific inhibitors of nociceptive ligand signaling pathways might improve pain control in dogs with OS. Copyright © 2015 The Authors. Journal of Veterinary Internal Medicine published by Wiley Periodicals, Inc. on behalf of American College of Veterinary Internal Medicine.

The Cosmology Large Angular Scale Surveyor (CLASS)

Science.gov (United States)

Harrington, Kathleen; Marriange, Tobias; Aamir, Ali; Appel, John W.; Bennett, Charles L.; Boone, Fletcher; Brewer, Michael; Chan, Manwei; Chuss, David T.; Colazo, Felipe;

A Versatile Dinucleating Ligand Containing Sulfonamide Groups

DEFF Research Database (Denmark)

Sundberg, Jonas; Witt, Hannes; Cameron, Lisa

2014-01-01

ligand can be prepared in aqueous solutions using only divalent metal ions. Two of the copper(II) complexes, [Cu2(psmp)(OH)] and [Cu2(psmp)(OAc)2]-, demonstrate the anticipated 1:2 ligand/metal stoichiometry and show that the dimetallic binding site created for exogenous ligands possesses high inherent...... of antiferromagnetic coupling. This is corroborated computationally by broken-symmetry density functional theory, which for isotropic modeling of the coupling predicts an antiferromagnetic coupling strength of J = 70.5 cm-1....

Implicit ligand theory for relative binding free energies

Science.gov (United States)

Nguyen, Trung Hai; Minh, David D. L.

2018-03-01

Implicit ligand theory enables noncovalent binding free energies to be calculated based on an exponential average of the binding potential of mean force (BPMF)—the binding free energy between a flexible ligand and rigid receptor—over a precomputed ensemble of receptor configurations. In the original formalism, receptor configurations were drawn from or reweighted to the apo ensemble. Here we show that BPMFs averaged over a holo ensemble yield binding free energies relative to the reference ligand that specifies the ensemble. When using receptor snapshots from an alchemical simulation with a single ligand, the new statistical estimator outperforms the original.

Mass and Angular Distributions of Charged Dihadron Production

Energy Technology Data Exchange (ETDEWEB)

Cummings, Mary Clare [Michigan U.

1990-01-01

Experiment 711, conducted at Fermilab. provided a unique handle towards understanding valence quark scattering by studying pairs of single. charged, high transverse momentum hadrons produced in collisions of 800 GeV /c protons on fixed metal targets. The apparatus consisted of a double-arm spectrometer. calorimetrically triggered. with high momentum resolution and a large angular acceptance for all charge states of particle pairs. The experiment was designed to select those hadron pairs that carrted most of the momentum and energy of the underlying scattered quarks and gluons. The charge of such "leading" hadrons is correlated with the charge of the quark that produced it. Quantum Chromodynamics (QCD) assumes that the scattering behavior of quarks ts independent of their charge, or "flavour": Experiment 711 could test this assumption. Tilis dissertation descrtbes the analysis of the mass and angular distributions of hadron pair production for three separate charge states: +-, ++ and --. The angular distributions are found to deviate from theory predictions of flavour symmetry. Also. the mass cross sections indicate ratios of positive to negative hard-scattered particles that are larger than expected from theory. These results could warrant reconsideration of the assumptions and approximations currently made in leading-order QCD calculations.

Angular momentum and incident-energy dependence of nucleus-nucleus interaction

International Nuclear Information System (INIS)

Yamaguchi, S.

1991-01-01

The purpose of this paper is to understand intuitively the origin of the angular momentum and incident-energy dependence of the nucleus-nucleus interaction on the basis of the totally- antisymmetrized many-body theory. With the aim of understanding the structure of the nucleus-nucleus interaction, we show first that the nucleus-nucleus interaction can be written by the use of the density-distribution function and the phase-space distribution function instead of using the many-body wave function itself. And we show that the structure change of the density-distribution function with the increase of the angular momentum causes the angular momentum dependence of the nucleus-nucleus interaction and that the incident-energy dependence of the nucleus-nucleus interaction originates from the structure change of the phase-space distribution function

Angular Momentum Transport in Turbulent Flow between Independently Rotating Cylinders

International Nuclear Information System (INIS)

Paoletti, M. S.; Lathrop, D. P.

2011-01-01

We present measurements of the angular momentum flux (torque) in Taylor-Couette flow of water between independently rotating cylinders for all regions of the (Ω 1 , Ω 2 ) parameter space at high Reynolds numbers, where Ω 1 (Ω 2 ) is the inner (outer) cylinder angular velocity. We find that the Rossby number Ro=(Ω 1 -Ω 2 )/Ω 2 fully determines the state and torque G as compared to G(Ro=∞)≡G ∞ . The ratio G/G ∞ is a linear function of Ro -1 in four sections of the parameter space. For flows with radially increasing angular momentum, our measured torques greatly exceed those of previous experiments [Ji et al., Nature (London), 444, 343 (2006)], but agree with the analysis of Richard and Zahn [Astron. Astrophys. 347, 734 (1999)].

Superior serum half life of albumin tagged TNF ligands

International Nuclear Information System (INIS)

Mueller, Nicole; Schneider, Britta; Pfizenmaier, Klaus; Wajant, Harald

2010-01-01

Due to their immune stimulating and apoptosis inducing properties, ligands of the TNF family attract increasing interest as therapeutic proteins. A general limitation of in vivo applications of recombinant soluble TNF ligands is their notoriously rapid clearance from circulation. To improve the serum half life of the TNF family members TNF, TWEAK and TRAIL, we genetically fused soluble variants of these molecules to human serum albumin (HSA). The serum albumin-TNF ligand fusion proteins were found to be of similar bioactivity as the corresponding HSA-less counterparts. Upon intravenous injection (i.v.), serum half life of HSA-TNF ligand fusion proteins, as determined by ELISA, was around 15 h as compared to approximately 1 h for all of the recombinant control TNF ligands without HSA domain. Moreover, serum samples collected 6 or 24 h after i.v. injection still contained high TNF ligand bioactivity, demonstrating that there is only limited degradation/inactivation of circulating HSA-TNF ligand fusion proteins in vivo. In a xenotransplantation model, significantly less of the HSA-TRAIL fusion protein compared to the respective control TRAIL protein was required to achieve inhibition of tumor growth indicating that the increased half life of HSA-TNF ligand fusion proteins translates into better therapeutic action in vivo. In conclusion, our data suggest that genetic fusion to serum albumin is a powerful and generally applicable mean to improve bioavailability and in vivo activity of TNF ligands.

Quantitative chemogenomics: machine-learning models of protein-ligand interaction.

Science.gov (United States)

Andersson, Claes R; Gustafsson, Mats G; Strömbergsson, Helena

2011-01-01

Chemogenomics is an emerging interdisciplinary field that lies in the interface of biology, chemistry, and informatics. Most of the currently used drugs are small molecules that interact with proteins. Understanding protein-ligand interaction is therefore central to drug discovery and design. In the subfield of chemogenomics known as proteochemometrics, protein-ligand-interaction models are induced from data matrices that consist of both protein and ligand information along with some experimentally measured variable. The two general aims of this quantitative multi-structure-property-relationship modeling (QMSPR) approach are to exploit sparse/incomplete information sources and to obtain more general models covering larger parts of the protein-ligand space, than traditional approaches that focuses mainly on specific targets or ligands. The data matrices, usually obtained from multiple sparse/incomplete sources, typically contain series of proteins and ligands together with quantitative information about their interactions. A useful model should ideally be easy to interpret and generalize well to new unseen protein-ligand combinations. Resolving this requires sophisticated machine-learning methods for model induction, combined with adequate validation. This review is intended to provide a guide to methods and data sources suitable for this kind of protein-ligand-interaction modeling. An overview of the modeling process is presented including data collection, protein and ligand descriptor computation, data preprocessing, machine-learning-model induction and validation. Concerns and issues specific for each step in this kind of data-driven modeling will be discussed. © 2011 Bentham Science Publishers

Effects of electrostatic interactions on ligand dissociation kinetics

Science.gov (United States)

Erbaş, Aykut; de la Cruz, Monica Olvera; Marko, John F.

2018-02-01

We study unbinding of multivalent cationic ligands from oppositely charged polymeric binding sites sparsely grafted on a flat neutral substrate. Our molecular dynamics simulations are suggested by single-molecule studies of protein-DNA interactions. We consider univalent salt concentrations spanning roughly a 1000-fold range, together with various concentrations of excess ligands in solution. To reveal the ionic effects on unbinding kinetics of spontaneous and facilitated dissociation mechanisms, we treat electrostatic interactions both at a Debye-Hückel (DH) (or implicit ions, i.e., use of an electrostatic potential with a prescribed decay length) level and by the more precise approach of considering all ionic species explicitly in the simulations. We find that the DH approach systematically overestimates unbinding rates, relative to the calculations where all ion pairs are present explicitly in solution, although many aspects of the two types of calculation are qualitatively similar. For facilitated dissociation (FD) (acceleration of unbinding by free ligands in solution) explicit-ion simulations lead to unbinding at lower free-ligand concentrations. Our simulations predict a variety of FD regimes as a function of free-ligand and ion concentrations; a particularly interesting regime is at intermediate concentrations of ligands where nonelectrostatic binding strength controls FD. We conclude that explicit-ion electrostatic modeling is an essential component to quantitatively tackle problems in molecular ligand dissociation, including nucleic-acid-binding proteins.

[Supercomputer investigation of the protein-ligand system low-energy minima].

Science.gov (United States)

Oferkin, I V; Sulimov, A V; Katkova, E V; Kutov, D K; Grigoriev, F V; Kondakova, O A; Sulimov, V B

2015-01-01

The accuracy of the protein-ligand binding energy calculations and ligand positioning is strongly influenced by the choice of the docking target function. This work demonstrates the evaluation of the five different target functions used in docking: functions based on MMFF94 force field and functions based on PM7 quantum-chemical method accounting or without accounting the implicit solvent model (PCM, COSMO or SGB). For these purposes the ligand positions corresponding to the minima of the target function and the experimentally known ligand positions in the protein active site (crystal ligand positions) were compared. Each function was examined on the same test-set of 16 protein-ligand complexes. The new parallelized docking program FLM based on Monte Carlo search algorithm was developed to perform the comprehensive low-energy minima search and to calculate the protein-ligand binding energy. This study demonstrates that the docking target function based on the MMFF94 force field can be used to detect the crystal or near crystal positions of the ligand by the finding the low-energy local minima spectrum of the target function. The importance of solvent accounting in the docking process for the accurate ligand positioning is also shown. The accuracy of the ligand positioning as well as the correlation between the calculated and experimentally determined protein-ligand binding energies are improved when the MMFF94 force field is substituted by the new PM7 method with implicit solvent accounting.

Vector parametrization, partial angular momenta and unusual commutation relations in physics

International Nuclear Information System (INIS)

Gatti, Fabien; Nauts, Andre

2003-01-01

When studying an N-particle system by means of N-1 vectors i.e., by means of a vector parametrization, one unavoidably comes across several angular momenta: not only the total angular momentum of the system but also the various partial angular momenta corresponding to the motion of the various vectors. All these momenta can, in addition, be referred to a variety of reference frames. The use of vector parametrizations and partial angular momenta in physics greatly simplifies the classical as well as quantum expressions of the kinetic energy. The present paper is devoted to a detailed and rigorous study of the partial angular momenta and the various commutation relations they satisfy, in particular the unusual commutation relations whose origin is traced back to the very structure of the coordinate changes used to define the Body-Fixed (BF) frames. The direct quantization of the classical expressions of the kinetic energy obtained in the context of various vector parametrizations is also given in detail. It turns out to be an efficient extension of well-known quantization procedures to the case where supernumerary quasi-momenta are used. As an illustration, the case of a four-particle system is treated in detail for a particular choice of the BF frames. Finally, the analogies between the classical and quantum approaches are emphasized

Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation

Directory of Open Access Journals (Sweden)

Haruki Nakamura

2012-09-01

Full Text Available We have developed a method for estimating protein-ligand binding free energy (DG based on the direct protein-ligand interaction obtained by a molecular dynamics simulation. Using this method, we estimated the DG value statistically by the average values of the van der Waals and electrostatic interactions between each amino acid of the target protein and the ligand molecule. In addition, we introduced fluctuations in the accessible surface area (ASA and dihedral angles of the protein-ligand complex system as the entropy terms of the DG estimation. The present method included the fluctuation term of structural change of the protein and the effective dielectric constant. We applied this method to 34 protein-ligand complex structures. As a result, the correlation coefficient between the experimental and calculated DG values was 0.81, and the average error of DG was 1.2 kcal/mol with the use of the fixed parameters. These results were obtained from a 2 nsec molecular dynamics simulation.

Phase-space distributions and orbital angular momentum

Directory of Open Access Journals (Sweden)

Pasquini B.

2014-06-01

Full Text Available We review the concept of Wigner distributions to describe the phase-space distributions of quarks in the nucleon, emphasizing the information encoded in these functions about the quark orbital angular momentum.

On the complex angular momentum theory of scattering

International Nuclear Information System (INIS)

Thylwe, K.-E.

1983-01-01

A contribution to the theory of complex angular momentum techniques in the field of atomic and molecular collisions is given. A new, flexible representation of the scattering amplitude on the basis of realistic assumptions for the behaviour of the S matrix in the complex angular momentum plane is derived. The representation has the form of a sum of steepest-descent integrals, S-matrix residue terms and a symmetry-type background integral. The flexibility is due to the presence of two integer parameters which may be chosen conveniently so as to make the residue sums sufficiently convergent and to minimise the total number of important terms. (author)

Application of perturbed angular correlations to chemistry and related areas of solid state physics

Energy Technology Data Exchange (ETDEWEB)

Rinneberg, H H [Freie Univ. Berlin (Germany, F.R.)

1979-06-01

The paper reviews the more recent applications of ..gamma..-..gamma.. time-differential perturbed angular correlation (TDPAC) to chemistry and related areas of solid state physics. Topics which are discussed in some detail include: Supertransferred hyperfine fields at diamagnetic impurities in antiferromagnetic transition metal compounds and their relation to the covalency of the transition metal-ligand bond; effects of charge transfer on the quadrupole interactions in various partially covalent insulators measured by PAC; fluctuating electric field gradients in heptafluorohafnates; the influence of charge density waves in TaS/sub 2/ and the effect of intercalating on the field gradients at /sup 181/Ta; recent advances in the understanding of electric field gradients in metals; information obtained by PAC on the microscopic structure of alloys as well as defects in pure metals after quenching, implantation or irradiation. Magnetic and electric phase transitions observed in PAC spectra are briefly mentioned. In addition, recent measurements in liquids and gases are reviewed. Three introductory sections are devoted to a brief discussion of the time-differential PAC technique, to a concise explanation of the theoretical expressions needed to analyse PAC spectra and to a short description of the experimental set-up. An outlook suggests some areas of possible future applications.

Angular momenta of fission fragments in the {alpha}-accompanied fission of {sup 252}Cf

Energy Technology Data Exchange (ETDEWEB)

Jandel, M.; Kliman, J.; Krupa, L.; Morhac, M. [Slovak Academy of Sciences, Department of Nuclear Physics, Bratislava (Slovakia); Joint Institute for Nuclear Research, Flerov Laboratory for Nuclear Reactions, Dubna (Russian Federation); Hamilton, J.H.; Kormicki, J.; Ramayya, A.V.; Hwang, J.K.; Luo, Y.X.; Fong, D.; Gore, P. [Vanderbilt University, Department of Physics, Nashville, TN (United States); Ter-Akopian, G.M.; Oganessian, Yu.Ts.; Rodin, A.M.; Fomichev, A.S.; Popeko, G.S. [Joint Institute for Nuclear Research, Flerov Laboratory for Nuclear Reactions, Dubna (Russian Federation); Daniel, A.V. [Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Rasmussen, J.O.; Macchiavelli, A.O.; Stoyer, M.A. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Donangelo, R.; Cole, J.D.

2005-06-01

For the first time, average angular momenta of the ternary fission fragments {sup 100,102}Zr, {sup 106}Mo, {sup 144,146}Ba and {sup 138,140,142}Xe from the {alpha}-accompanied fission of {sup 252}Cf were obtained from relative intensities of prompt {gamma}-ray transitions with the use of the statistical model calculation. Average values of the angular momenta were compared with the corresponding values for the same fission fragments from the binary fission of {sup 252}Cf. Results indicate the presence of a decreasing trend in the average values of angular momenta induced in ternary fission fragments compared to the same binary fission fragments. On the average, the total angular momentum extracted for ternary fission fragments is {proportional_to}1.4{Dirac_h} lower than in binary fission. Consequently, results indicate that the mechanism of the ternary {alpha}-particles emission may directly effect an induction of angular momenta of fission fragments, and possible scenarios of such mechanisms are discussed. Further, the dependence of the angular momenta of {sup 106}Mo and {sup 140}Xe on the number of emitted neutrons from correlated pairs of primary fragments was obtained also showing a decreasing dependence of average angular momenta with increasing number of emitted neutrons. Consequences are briefly discussed. (orig.)

Design, Development and Testing of a Semicircular Type Capacitive Angular Position Sensor

Directory of Open Access Journals (Sweden)

Nikhil GAURAV

2011-06-01

Full Text Available A low cost semicircular type capacitive angular position sensor has been designed, developed and tested. It is made of two semicircular parallel plates where one plate is fixed and another plate is connected with the rotor whose angular position is to be measured. When the angular position of the rotor changes with respect to the fixed plate, the overlapping area between the two plates of the capacitor is varied causing a change in capacitance value. Capacitance variation obtained due to the change in angular position is in the nano farad range. For signal conditioning, series R-L-C resonating circuit instead of conventional bridge circuit has been used to convert the sensor capacitance variation in to voltage. Experimental result shows that the capacitance for change in angular position 0º-180º increases linearly and for 180º-360º it decreases linearly. To get a linearly increasing response of same slope for the full scale of 0º-360º, a suitable linearising circuit has been designed, developed and tested. Sensor output along with the signal conditioning shows good linearity and repeatability.

Effects of Wall-Normal and Angular Momentum Injections in Airfoil Separation Control

Science.gov (United States)

Munday, Phillip M.; Taira, Kunihiko

2018-05-01

The objective of this computational study is to quantify the influence of wall-normal and angular momentum injections in suppressing laminar flow separation over a canonical airfoil. Open-loop control of fully separated, incompressible flow over a NACA 0012 airfoil at $\\alpha = 9^\\circ$ and $Re = 23,000$ is examined with large-eddy simulations. This study independently introduces wall-normal momentum and angular momentum into the separated flow using swirling jets through model boundary conditions. The response of the flow field and the surface vorticity fluxes to various combinations of actuation inputs are examined in detail. It is observed that the addition of angular momentum input to wall-normal momentum injection enhances the suppression of flow separation. Lift enhancement and suppression of separation with the wall-normal and angular momentum inputs are characterized by modifying the standard definition of the coefficient of momentum. The effect of angular momentum is incorporated into the modified coefficient of momentum by introducing a characteristic swirling jet velocity based on the non-dimensional swirl number. With this single modified coefficient of momentum, we are able to categorize each controlled flow into separated, transitional, and attached flows.

Quality of the restricted variation after projection method with angular momentum projection

International Nuclear Information System (INIS)

Rodriguez, Tomas R.; Egido, J.L.; Robledo, L.M.; Rodriguez-Guzman, R.

2005-01-01

Recently, the restricted angular momentum variation after projection method, using the quadrupole degree of freedom as a variational coordinate in conjunction with effective interactions of the Skyrme or Gogny type, has been used very successfully to study a variety of phenomena concerning the quadrupole degree of freedom. In this paper, we study the quality of such an approach by considering additional degrees of freedom as variational coordinates: the hexadecapole moment and the fluctuations on the quadrupole moment, particle number, and angular momentum operators. The study has been performed with the Gogny interaction (D1S parametrization) for the nuclei 32 Mg and 34 Mg. The results of the angular momentum projection and the subsequent generator coordinate calculations show that the extra degrees of freedom considered are irrelevant for the description of the lowest lying states for each angular momentum

Spatial and Angular Resolution Enhancement of Light Fields Using Convolutional Neural Networks

Science.gov (United States)

Gul, M. Shahzeb Khan; Gunturk, Bahadir K.

2018-05-01

Light field imaging extends the traditional photography by capturing both spatial and angular distribution of light, which enables new capabilities, including post-capture refocusing, post-capture aperture control, and depth estimation from a single shot. Micro-lens array (MLA) based light field cameras offer a cost-effective approach to capture light field. A major drawback of MLA based light field cameras is low spatial resolution, which is due to the fact that a single image sensor is shared to capture both spatial and angular information. In this paper, we present a learning based light field enhancement approach. Both spatial and angular resolution of captured light field is enhanced using convolutional neural networks. The proposed method is tested with real light field data captured with a Lytro light field camera, clearly demonstrating spatial and angular resolution improvement.

Angular distribution of ejected electrons from 20 keV He+ impact on He

International Nuclear Information System (INIS)

Tokoro, N.; Takenouchi, S.; Urakawa, J.; Oda, N.

1982-01-01

The angular distributions of ejected electrons in the energy range 5-70 eV have been measured at angles from 30 to 150 0 for 20 keV He + impact on He. The angular dependence of excitation cross sections of autoionisation states 2s 2 1 S and 2p 2 1 D+2s2p 1 P are in good agreement with previous data measured by Bordenave-Montesquieu et al (Phys. Rev.; A25:245 (1982)). The continuous parts of the electron spectra show symmetrical angular distributions around 90 0 in the laboratory frame for low-energy electrons (< approximately equal to 30 eV). These angular distributions are discussed in connection with the molecular autoionisation mechanism. (author)

Analytical scheme calculations of angular momentum coupling and recoupling coefficients

Science.gov (United States)

Deveikis, A.; Kuznecovas, A.

2007-03-01

We investigate the Scheme programming language opportunities to analytically calculate the Clebsch-Gordan coefficients, Wigner 6j and 9j symbols, and general recoupling coefficients that are used in the quantum theory of angular momentum. The considered coefficients are calculated by a direct evaluation of the sum formulas. The calculation results for large values of quantum angular momenta were compared with analogous calculations with FORTRAN and Java programming languages.

Analytical scheme calculations of angular momentum coupling and recoupling coefficients

International Nuclear Information System (INIS)

Deveikis, A.; Kuznecovas, A.

2007-01-01

We investigate the Scheme programming language opportunities to analytically calculate the Clebsch-Gordan coefficients, Wigner 6j and 9j symbols, and general recoupling coefficients that are used in the quantum theory of angular momentum. The considered coefficients are calculated by a direct evaluation of the sum formulas. The calculation results for large values of quantum angular momenta were compared with analogous calculations with FORTRAN and Java programming languages

Rational Ligand Design for U(VI) and Pu(IV)

International Nuclear Information System (INIS)

Szigethy, Geza

2009-01-01

Nuclear power is an attractive alternative to hydrocarbon-based energy production at a time when moving away from carbon-producing processes is widely accepted as a significant developmental need. Hence, the radioactive actinide power sources for this industry are necessarily becoming more widespread, which is accompanied by the increased risk of exposure to both biological and environmental systems. This, in turn, requires the development of technology designed to remove such radioactive threats efficiently and selectively from contaminated material, whether that be contained nuclear waste streams or the human body. Raymond and coworkers (University of California, Berkeley) have for decades investigated the interaction of biologically-inspired, hard Lewis-base ligands with high-valent, early-actinide cations. It has been established that such ligands bind strongly to the hard Lewis-acidic early actinides, and many poly-bidentate ligands have been developed and shown to be effective chelators of actinide contaminants in vivo. Work reported herein explores the effect of ligand geometry on the linear U(IV) dioxo dication (uranyl, UO 2 2+ ). The goal is to utilize rational ligand design to develop ligands that exhibit shape selectivity towards linear dioxo cations and provides thermodynamically favorable binding interactions. The uranyl complexes with a series of tetradentate 3-hydroxy-pyridin-2-one (3,2-HOPO) ligands were studied in both the crystalline state as well as in solution. Despite significant geometric differences, the uranyl affinities of these ligands vary only slightly but are better than DTPA, the only FDA-approved chelation therapy for actinide contamination. The terepthalamide (TAM) moiety was combined into tris-beidentate ligands with 1,2- and 3,2-HOPO moieties were combined into hexadentate ligands whose structural preferences and solution thermodynamics were measured with the uranyl cation. In addition to achieving coordinative saturation, these

Rational Ligand Design for U(VI) and Pu(IV)

Energy Technology Data Exchange (ETDEWEB)

Szigethy, Geza [Univ. of California, Berkeley, CA (United States)

2009-08-12

Nuclear power is an attractive alternative to hydrocarbon-based energy production at a time when moving away from carbon-producing processes is widely accepted as a significant developmental need. Hence, the radioactive actinide power sources for this industry are necessarily becoming more widespread, which is accompanied by the increased risk of exposure to both biological and environmental systems. This, in turn, requires the development of technology designed to remove such radioactive threats efficiently and selectively from contaminated material, whether that be contained nuclear waste streams or the human body. Raymond and coworkers (University of California, Berkeley) have for decades investigated the interaction of biologically-inspired, hard Lewis-base ligands with high-valent, early-actinide cations. It has been established that such ligands bind strongly to the hard Lewis-acidic early actinides, and many poly-bidentate ligands have been developed and shown to be effective chelators of actinide contaminants in vivo. Work reported herein explores the effect of ligand geometry on the linear U(IV) dioxo dication (uranyl, UO₂ ²⁺). The goal is to utilize rational ligand design to develop ligands that exhibit shape selectivity towards linear dioxo cations and provides thermodynamically favorable binding interactions. The uranyl complexes with a series of tetradentate 3-hydroxy-pyridin-2-one (3,2-HOPO) ligands were studied in both the crystalline state as well as in solution. Despite significant geometric differences, the uranyl affinities of these ligands vary only slightly but are better than DTPA, the only FDA-approved chelation therapy for actinide contamination. The terepthalamide (TAM) moiety was combined into tris-beidentate ligands with 1,2- and 3,2-HOPO moieties were combined into hexadentate ligands whose structural preferences and solution thermodynamics were measured with the uranyl cation. In addition to achieving coordinative

Cellular trafficking of quantum dot-ligand bioconjugates and their induction of changes in normal routing of unconjugated ligands

DEFF Research Database (Denmark)

Tekle, Christina; van Deurs, Bo; Sandvig, Kirsten

2008-01-01

Can quantum dots (Qdots) act as relevant intracellular probes to investigate routing of ligands in live cells? The intracellular trafficking of Qdots that were coupled to the plant toxin ricin, Shiga toxin, or the ligand transferrin (Tf) was studied by confocal fluorescence microscopy. The Tf...

Predicting Efficient Antenna Ligands for Tb(III) Emission

Energy Technology Data Exchange (ETDEWEB)

Samuel, Amanda P.S.; Xu, Jide; Raymond, Kenneth

2008-10-06

A series of highly luminescent Tb(III) complexes of para-substituted 2-hydroxyisophthalamide ligands (5LI-IAM-X) has been prepared (X = H, CH{sub 3}, (C=O)NHCH{sub 3}, SO{sub 3}{sup -}, NO{sub 2}, OCH{sub 3}, F, Cl, Br) to probe the effect of substituting the isophthalamide ring on ligand and Tb(III) emission in order to establish a method for predicting the effects of chromophore modification on Tb(III) luminescence. The energies of the ligand singlet and triplet excited states are found to increase linearly with the {pi}-withdrawing ability of the substituent. The experimental results are supported by time-dependent density functional theory (TD-DFT) calculations performed on model systems, which predict ligand singlet and triplet energies within {approx}5% of the experimental values. The quantum yield ({Phi}) values of the Tb(III) complex increases with the triplet energy of the ligand, which is in part due to the decreased non-radiative deactivation caused by thermal repopulation of the triplet. Together, the experimental and theoretical results serve as a predictive tool that can be used to guide the synthesis of ligands used to sensitize lanthanide luminescence.

Electron transfer study on graphene modified glassy carbon substrate via electrochemical reduction and the application for tris(2,2'-bipyridyl)ruthenium(II) electrochemiluminescence sensor fabrication.

Science.gov (United States)

Xu, Yuanhong; Cao, Mengmei; Liu, Huihui; Zong, Xidan; Kong, Na; Zhang, Jizhen; Liu, Jingquan

2015-07-01

In this study, electron transfer behavior of the graphene nanosheets attachment on glassy carbon electrode (GCE) via direct electrochemical reduction of graphene oxide (GO) is investigated for the first time. The graphene modified electrode was achieved by simply dipping the GCE in GO suspension, followed by cyclic voltammetric scanning in the potential window from 0V to -1.5V. Tris(2,2'-bipyridyl)ruthenium(II) [Ru(bpy)3(2+)] was immobilized on the graphene modified electrode and used as the redox probe to evaluate the electron transfer behavior. The electron transfer rate constant (Ks) was calculated to be 61.9±5.8s(-1), which is much faster than that of tiled graphene modified GCE (7.1±0.6s(-1)). The enhanced electron transfer property observed with the GCE modified by reductively deposited graphene is probably due to its standing configuration, which is beneficial to the electron transfer comparing with the tiled one. Because the abundant oxygen-containing groups are mainly located at the edges of GO, which should be much easier for the reduction to start from, the reduced GO should tend to stand on the electrode surface as evidenced by scanning electron microscopy analysis. In addition, due to the favored electron transfer and standing configuration, the Ru(bpy)3(2+) electrochemiluminescence sensor fabricated with standing graphene modified GCE provided much higher and more stable efficiency than that fabricated with tiled graphene. Copyright © 2015 Elsevier B.V. All rights reserved.

Dynamic ligand-based pharmacophore modeling and virtual ...

Indian Academy of Sciences (India)

Five ligand-based pharmacophore models were generated from 40 different .... the Phase module of the Schrodinger program.35 Each model consisted of six types of ... ligand preparation included the OPLS_2005 force field and to retain the ...

Identification of VDR Antagonists among Nuclear Receptor Ligands Using Virtual Screening

Directory of Open Access Journals (Sweden)

Kelly Teske

2014-04-01

Full Text Available Herein, we described the development of two virtual screens to identify new vitamin D receptor (VDR antagonists among nuclear receptor (NR ligands. Therefore, a database of 14330 nuclear receptor ligands and their NR affinities was assembled using the online available “Binding Database.” Two different virtual screens were carried out in conjunction with a reported VDR crystal structure applying a stringent and less stringent pharmacophore model to filter docked NR ligand conformations. The pharmacophore models were based on the spatial orientation of the hydroxyl functionalities of VDR's natural ligands 1,25(OH2D3 and 25(OH2D3. The first virtual screen identified 32 NR ligands with a calculated free energy of VDR binding of more than -6.0 kJ/mol. All but nordihydroguaiaretic acid (NDGA are VDR ligands, which inhibited the interaction between VDR and coactivator peptide SRC2-3 with an IC50 value of 15.8 μM. The second screen identified 162 NR ligands with a calculated free energy of VDR binding of more than -6.0 kJ/mol. More than half of these ligands were developed to bind VDR followed by ERα/β ligands (26%, TRα/β ligands (7%, and LxRα/β ligands (7%. The binding between VDR and ERα ligand H6036 as well as TRα/β ligand triiodothyronine and a homoserine analog thereof was confirmed by fluorescence polarization.

Angular analysis of charged and neutral B -> K mu(+) mu(-) decays

NARCIS (Netherlands)

Aaij, R.; Adeva, B.; Adinolfi, M.; Affolder, A.; Ajaltouni, Z.; Albrecht, J.; Alessio, F.; Alexander, M.; Ali, S.; Alkhazov, G.; Alvarez Cartelle, P.; Alves, A. A.; Amato, S.; Amerio, S.; Amhis, Y.; An, L.; Anderlini, L.; Anderson, J.; Andreassen, R.; Andreotti, M.; Andrews, J. E.; Appleby, R. B.; Gutierrez, O. Aquines; Archilli, F.; Artamonov, A.; Artuso, M.; Aslanides, E.; Auriemma, G.; Baalouch, M.; Bachmann, S.; Back, J. J.; Badalov, A.; Balagura, V.; Baldini, W.; Barlow, R. J.; Barschel, C.; Barsuk, S.; Barter, W.; Batozskaya, V.; Bauer, Th.; Bay, A.; Beddow, J.; Bedeschi, F.; Bediaga, I.; Belogurov, S.; Belous, K.; Belyaev, I.; Ben-Haim, E.; Onderwater, G.; Pellegrino, A.

2014-01-01

The angular distributions of the rare decays B+ -> K+mu(+)mu(-) and B-0 -> K-S(0)mu(+)mu(-) are studied with data corresponding to 3 fb(-1) of integrated luminosity, collected in proton-proton collisions at 7 and 8 TeV centre-of-mass energies with the LHCb detector. The angular distribution is

Angular filter refractometry analysis using simulated annealing [An improved method for characterizing plasma density profiles using angular filter refractometry

International Nuclear Information System (INIS)

Angland, P.; Haberberger, D.; Ivancic, S. T.; Froula, D. H.

2017-01-01

Here, a new method of analysis for angular filter refractometry images was developed to characterize laser-produced, long-scale-length plasmas using an annealing algorithm to iterative converge upon a solution. Angular filter refractometry (AFR) is a novel technique used to characterize the density pro files of laser-produced, long-scale-length plasmas. A synthetic AFR image is constructed by a user-defined density profile described by eight parameters, and the algorithm systematically alters the parameters until the comparison is optimized. The optimization and statistical uncertainty calculation is based on a minimization of the χ2 test statistic. The algorithm was successfully applied to experimental data of plasma expanding from a flat, laser-irradiated target, resulting in average uncertainty in the density profile of 5-10% in the region of interest.

Water oxidation catalyzed by mononuclear ruthenium complexes with a 2,2'-bipyridine-6,6'-dicarboxylate (bda) ligand: how ligand environment influences the catalytic behavior.

Science.gov (United States)

Staehle, Robert; Tong, Lianpeng; Wang, Lei; Duan, Lele; Fischer, Andreas; Ahlquist, Mårten S G; Sun, Licheng; Rau, Sven

2014-02-03

A new water oxidation catalyst [Ru(III)(bda)(mmi)(OH2)](CF3SO3) (2, H2bda = 2,2'-bipyridine-6,6'-dicarboxylic acid; mmi = 1,3-dimethylimidazolium-2-ylidene) containing an axial N-heterocyclic carbene ligand and one aqua ligand was synthesized and fully characterized. The kinetics of catalytic water oxidation by 2 were measured using stopped-flow technique, and key intermediates in the catalytic cycle were probed by density functional theory calculations. While analogous Ru-bda water oxidation catalysts [Ru(bda)L2] (L = pyridyl ligands) are supposed to catalyze water oxidation through a bimolecular coupling pathway, our study points out that 2, surprisingly, undergoes a single-site water nucleophilic attack (acid-base) pathway. The diversion of catalytic mechanisms is mainly ascribed to the different ligand environments, from nonaqua ligands to an aqua ligand. Findings in this work provide some critical proof for our previous hypothesis about how alternation of ancillary ligands of water oxidation catalysts influences their catalytic efficiency.

Angular dispersion and energy loss of H+ and He+ in metals

International Nuclear Information System (INIS)

Cantero, Esteban

2006-01-01

In this master thesis the effects produced when a light ion beam traverses a thin metallic film were studied.In particular, the interactions of low energy (E ≤ 10 keV) light ions (H + ,H 2 + , D + , He + ) with monocrystalline and also polycrystalline gold samples were investigated.In first place, the dependence of the stopping power with projectiles' velocity was studied, analyzing the threshold effect in the excitation of the 5d electrons in the channelling regime for energies between 0,4 and 9 keV.Next, the angular dispersion of ions in polycrystalline and monocrystalline films was measured and analyzed.Comparisons for different energies and projectiles were done, studying molecular and isotopic effects.Using Lindhard's channeling theory, a scale law for the angular dispersion of angles greater than the critical angle was found.Additionally, the angular dependence of the energy loss and the energy loss straggling of protons transmitted through monocrystals were measured.To explain the angular variations of these magnitudes a theoretical model based on the electronic density fluctuations inside the channel was developed [es

Variation of level density parameter with angular momentum in 119Sb

International Nuclear Information System (INIS)

Aggarwal, Mamta; Kailas, S.

2015-01-01

Nuclear level density (NLD), a basic ingredient of Statistical Model has been a subject of interest for various decades as it plays an important role in the understanding of a wide variety of Nuclear reactions. There have been various efforts towards the precise determination of NLD and study its dependence on excitation energy and angular momentum as it is crucial in the determination of cross-sections. Here we report our results of theoretical calculations in a microscopic framework to understand the experimental results on inverse level density parameter (k) extracted for different angular momentum regions for 119 Sb corresponding to different γ-ray multiplicities by comparing the experimental neutron energy spectra with statistical model predictions where an increase in the level density with the increasing angular momentum is predicted. NLD and neutron emission spectra dependence on temperature and spin has been studied in our earlier works where the influence of structural transitions due to angular momentum and temperature on level density of states and neutron emission probability was shown

Systematic study of ligand structures of metal oxide EUV nanoparticle photoresists

KAUST Repository

Jiang, Jing

2015-03-19

Ligand stabilized metal oxide nanoparticle resists are promising candidates for EUV lithography due to their high sensitivity for high-resolution patterning and high etching resistance. As ligand exchange is responsible for the patterning mechanism, we systematically studied the influence of ligand structures of metal oxide EUV nanoparticles on their sensitivity and dissolution behavior. ZrO2 nanoparticles were protected with various aromatic ligands with electron withdrawing and electron donating groups. These nanoparticles have lower sensitivity compared to those with aliphatic ligands suggesting the structures of these ligands is more important than their pka on resist sensitivity. The influence of ligand structure was further studied by comparing the nanoparticles’ solubility for a single type ligand to mixtures of ligands. The mixture of nanoparticles showed improved pattern quality. © (2015) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

LIBRA: LIgand Binding site Recognition Application.

Science.gov (United States)

Hung, Le Viet; Caprari, Silvia; Bizai, Massimiliano; Toti, Daniele; Polticelli, Fabio

2015-12-15

In recent years, structural genomics and ab initio molecular modeling activities are leading to the availability of a large number of structural models of proteins whose biochemical function is not known. The aim of this study was the development of a novel software tool that, given a protein's structural model, predicts the presence and identity of active sites and/or ligand binding sites. The algorithm implemented by ligand binding site recognition application (LIBRA) is based on a graph theory approach to find the largest subset of similar residues between an input protein and a collection of known functional sites. The algorithm makes use of two predefined databases for active sites and ligand binding sites, respectively, derived from the Catalytic Site Atlas and the Protein Data Bank. Tests indicate that LIBRA is able to identify the correct binding/active site in 90% of the cases analyzed, 90% of which feature the identified site as ranking first. As far as ligand binding site recognition is concerned, LIBRA outperforms other structure-based ligand binding sites detection tools with which it has been compared. The application, developed in Java SE 7 with a Swing GUI embedding a JMol applet, can be run on any OS equipped with a suitable Java Virtual Machine (JVM), and is available at the following URL: http://www.computationalbiology.it/software/LIBRAv1.zip. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

A response calculus for immobilized T cell receptor ligands

DEFF Research Database (Denmark)

Andersen, P S; Menné, C; Mariuzza, R A

2001-01-01

determine the level of T cell activation. When fitted to T cell responses against purified ligands immobilized on plastic surfaces, the 2D-affinity model adequately simulated changes in cellular activation as a result of varying ligand affinity and ligand density. These observations further demonstrated...

Architecture effects on multivalent interactions by polypeptide-based multivalent ligands

Science.gov (United States)

Liu, Shuang

Multivalent interactions are characterized by the simultaneous binding between multiple ligands and multiple binding sites, either in solutions or at interfaces. In biological systems, most multivalent interactions occur between protein receptors and carbohydrate ligands through hydrogen-bonding and hydrophobic interactions. Compared with weak affinity binding between one ligand and one binding site, i.e. monovalent interaction, multivalent interactioins provide greater avidity and specificity, and therefore play unique roles in a broad range of biological activities. Moreover, the studies of multivalent interactions are also essential for producing effective inhibitors and effectors of biological processes that could have important therapeutic applications. Synthetic multivalent ligands have been designed to mimic the biological functions of natural multivalent interactions, and various types of scaffolds have been used to display multiple ligands, including small molecules, linear polymers, dendrimers, nanoparticle surfaces, monolayer surfaces and liposomes. Studies have shown that multivalent interactions can be highly affected by various architectural parameters of these multivalent ligands, including ligand identities, valencies, spacing, ligand densities, nature of linker arms, scaffold length and scaffold conformation. Most of these multivalent ligands are chemically synthesized and have limitations of controlling over sequence and conformation, which is a barrier for mimicking ordered and controlled natural biological systems. Therefore, multivalent ligands with precisely controlled architecture are required for improved structure-function relationship studies. Protein engineering methods with subsequent chemical coupling of ligands provide significant advantages of controlling over backbone conformation and functional group placement, and therefore have been used to synthesize recombinant protein-based materials with desired properties similar to natural

Time-dependent angular distribution of sputtered particles from amorphous targets

International Nuclear Information System (INIS)

Yamamura, Yasunori

1990-01-01

Using the time-evolution computer simulation code DYACAT, the time-dependent behavior of sputtering phenomena has been investigated. The DYACAT program is based on the binary collision approximation, and the cascade development in solids is followed time-evolutionally. The total sputtering yield, the angular distribution and the energy distribution of sputtered atoms are calculated as a function of time for 1 keV Ar→Cu, where the angle of incidence is the inverse surface normal. It is found that the angular distribution of the prompt collisional phase of the sputtering process shows an under-cosine and that the corresponding energy spectrum has a peak near 10 eV. The slow collisional phase of 1 keV Ar→Cu will start after 3x10 -14 s, and its angular distribution shows an over-cosine distribution. (orig.)

AMPA receptor ligands

DEFF Research Database (Denmark)

Strømgaard, Kristian; Mellor, Ian

2004-01-01

Alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptors (AMPAR), subtype of the ionotropic glutamate receptors (IGRs), mediate fast synaptic transmission in the central nervous system (CNS), and are involved in many neurological disorders, as well as being a key player in the f......Alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptors (AMPAR), subtype of the ionotropic glutamate receptors (IGRs), mediate fast synaptic transmission in the central nervous system (CNS), and are involved in many neurological disorders, as well as being a key player...... in the formation of memory. Hence, ligands affecting AMPARs are highly important for the study of the structure and function of this receptor, and in this regard polyamine-based ligands, particularly polyamine toxins, are unique as they selectively block Ca2+ -permeable AMPARs. Indeed, endogenous intracellular...

Existence of black holes due to concentration of angular momentum

Energy Technology Data Exchange (ETDEWEB)

Khuri, Marcus A. [Department of Mathematics, Stony Brook University,Stony Brook, NY 11794 (United States)

2015-06-29

We present a general sufficient condition for the formation of black holes due to concentration of angular momentum. This is expressed in the form of a universal inequality, relating the size and angular momentum of bodies, and is proven in the context of axisymmetric initial data sets for the Einstein equations which satisfy an appropriate energy condition. A brief comparison is also made with more traditional black hole existence criteria based on concentration of mass.

Angular integration and inter-projection correlation effects in CT reconstruction

International Nuclear Information System (INIS)

Crawford, C.R.; Pele, N.J.

1987-01-01

CT reconstruction algorithms require snap-shot projections of an object. In order to minimize scan times, CT scanners rotate continuously which, in turn, prevents the acquisition of snap-shot projections. Acquired projections are integrals over angular position and may be correlated inter-projection. This paper shows that angular integration and inter-projection correlation introduce a radially dependent degradation of the spatial resolution and cause the image noise to vary non-linearly with radial position

Coincident-inclusive electrofission angular correlations

International Nuclear Information System (INIS)

Arruda Neto, J.D.T.

1983-08-01

A method for the joint analysis of coincident and inclusive electrofission data, in order to minimize effects of the model dependence of data interpretation, is developed. Explicit calculations of the (e,e'f) angular correlations are presented. The potentialities of the method to the study of sub- and near-barrier properties of the fission process, and to the study of the giant resonances fission mode, are discussed. (Author) [pt

Angular dependence of shallow dose

International Nuclear Information System (INIS)

Alvarez, J.L.

1986-01-01

The theoretical response of a detector is discussed and compared to measurements of shallow dose with tissue and phantom response detectors. A definite energy dependent angular response of dose and measurement was observed which could not be explained by simple trigonometric arguments. The response is back scatter dependent and must be considered in detector design and dose measurements. It is not possible for standard detectors to follow this response

New synthetic routes toward enantiopure nitrogen donor ligands.

Science.gov (United States)

Sala, Xavier; Rodríguez, Anna M; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; von Zelewsky, Alexander; Llobet, Antoni; Benet-Buchholz, Jordi

2006-12-08

New polypyridylic chiral ligands, having either C3 or lower symmetry, have been prepared via a de novo construction of the pyridine nucleus by means of Kröhnke methodology in the key step. The chiral moieties of these ligands originate from the monoterpen chiral pool, namely (-)-alpha-pinene ((-)-14, (-)-15) and (-)-myrtenal ((-)-9, (-)-10). Extension of the above-mentioned asymmetric synthesis procedure to the preparation of enantiopure derivatives of some commonly used polypyridylic ligands has been achieved through a new aldehyde building block ((-)-16). As an example, the synthesis of a chiral derivative of N,N-bis(2-pyridylmethyl)ethylamine (bpea) ligand, (-)-19, has been performed to illustrate the viability of the method. The coordinative ability of the ligands has been tested through the synthesis and characterization of complexes [Mn((-)-19)Br2], (-)-20, and [RuCl((-)-10)(bpy)](BF4), (-)-21. Some preliminary results related to the enantioselective catalytic epoxidation of styrene with the ruthenium complex are also presented.

Cloud computing for protein-ligand binding site comparison.

Science.gov (United States)

Hung, Che-Lun; Hua, Guan-Jie

2013-01-01

The proteome-wide analysis of protein-ligand binding sites and their interactions with ligands is important in structure-based drug design and in understanding ligand cross reactivity and toxicity. The well-known and commonly used software, SMAP, has been designed for 3D ligand binding site comparison and similarity searching of a structural proteome. SMAP can also predict drug side effects and reassign existing drugs to new indications. However, the computing scale of SMAP is limited. We have developed a high availability, high performance system that expands the comparison scale of SMAP. This cloud computing service, called Cloud-PLBS, combines the SMAP and Hadoop frameworks and is deployed on a virtual cloud computing platform. To handle the vast amount of experimental data on protein-ligand binding site pairs, Cloud-PLBS exploits the MapReduce paradigm as a management and parallelizing tool. Cloud-PLBS provides a web portal and scalability through which biologists can address a wide range of computer-intensive questions in biology and drug discovery.

Automated ligand fitting by core-fragment fitting and extension into density

International Nuclear Information System (INIS)

Terwilliger, Thomas C.; Klei, Herbert; Adams, Paul D.; Moriarty, Nigel W.; Cohn, Judith D.

2006-01-01

An automated ligand-fitting procedure has been developed and tested on 9327 ligands and (F o − F c )exp(iϕ c ) difference density from macromolecular structures in the Protein Data Bank. A procedure for fitting of ligands to electron-density maps by first fitting a core fragment of the ligand to density and then extending the remainder of the ligand into density is presented. The approach was tested by fitting 9327 ligands over a wide range of resolutions (most are in the range 0.8-4.8 Å) from the Protein Data Bank (PDB) into (F o − F c )exp(iϕ c ) difference density calculated using entries from the PDB without these ligands. The procedure was able to place 58% of these 9327 ligands within 2 Å (r.m.s.d.) of the coordinates of the atoms in the original PDB entry for that ligand. The success of the fitting procedure was relatively insensitive to the size of the ligand in the range 10–100 non-H atoms and was only moderately sensitive to resolution, with the percentage of ligands placed near the coordinates of the original PDB entry for fits in the range 58–73% over all resolution ranges tested

Verification of angular dependence in MOSFET detector

International Nuclear Information System (INIS)

Souza, Clayton H.; Shorto, Julian M.B.; Siqueira, Paulo T.D.; Nunes, Maíra G.; Silva Junior, Iremar A.; Yoriyaz, Hélio

2017-01-01

In vivo dosimetry is an essential tool for quality assurance programs, being a procedure commonly performed with thermoluminescent dosimeters (TLDs) or diodes. However, a type of dosimeter that has increasing popularity in recent years is the metal-oxide-semiconductor field effect transistor (MOSFET) detector. MOSFET dosimeters fulfill all the necessary characteristics to realize in vivo dosimetry since it has a small size, good precision and feasibility of measurement, as well as easy handling. Nevertheless, its true differential is to allow reading of the dose in real time, enabling immediate intervention in the correction of physical parameters deviations and anticipation of small anatomical changes in a patient during treatment. In order for MOSFET dosimeter to be better accepted in clinical routine, information reporting performance should be available frequently. For this reason, this work proposes to verify reproducibility and angular dependence of a standard sensitivity MOSFET dosimeter (TN-502RD-H) for Cs-137 and Co-60 sources. Experimental data were satisfactory and MOSFET dosimeter presented a reproducibility of 3.3% and 2.7% (1 SD) for Cs-137 and Co-60 sources, respectively. In addition, an angular dependence of up to 6.1% and 16.3% for both radioactive sources, respectively. It is conclusive that MOSFET dosimeter TN-502RD-H has satisfactory reproducibility and a considerable angular dependence, mainly for the Co-60 source. This means that although precise measurements, special attention must be taken for applications in certain anatomical regions in a patient. (author)

Verification of angular dependence in MOSFET detector

Energy Technology Data Exchange (ETDEWEB)

Souza, Clayton H.; Shorto, Julian M.B.; Siqueira, Paulo T.D.; Nunes, Maíra G.; Silva Junior, Iremar A.; Yoriyaz, Hélio, E-mail: chsouza@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2017-07-01

In vivo dosimetry is an essential tool for quality assurance programs, being a procedure commonly performed with thermoluminescent dosimeters (TLDs) or diodes. However, a type of dosimeter that has increasing popularity in recent years is the metal-oxide-semiconductor field effect transistor (MOSFET) detector. MOSFET dosimeters fulfill all the necessary characteristics to realize in vivo dosimetry since it has a small size, good precision and feasibility of measurement, as well as easy handling. Nevertheless, its true differential is to allow reading of the dose in real time, enabling immediate intervention in the correction of physical parameters deviations and anticipation of small anatomical changes in a patient during treatment. In order for MOSFET dosimeter to be better accepted in clinical routine, information reporting performance should be available frequently. For this reason, this work proposes to verify reproducibility and angular dependence of a standard sensitivity MOSFET dosimeter (TN-502RD-H) for Cs-137 and Co-60 sources. Experimental data were satisfactory and MOSFET dosimeter presented a reproducibility of 3.3% and 2.7% (1 SD) for Cs-137 and Co-60 sources, respectively. In addition, an angular dependence of up to 6.1% and 16.3% for both radioactive sources, respectively. It is conclusive that MOSFET dosimeter TN-502RD-H has satisfactory reproducibility and a considerable angular dependence, mainly for the Co-60 source. This means that although precise measurements, special attention must be taken for applications in certain anatomical regions in a patient. (author)

New method for evaluation of cervical vertebral maturation based on angular measurements.

Science.gov (United States)

Alhadlaq, Adel M; Al-Shayea, Eman I

2013-04-01

To investigate the validity of a new approach to assess the cervical vertebral maturation based on angular measurements of the lower border concavity of cervical vertebral bodies. Hand-wrist and lateral cephalometric radiographs of 197 male subjects with age range of 10-15 years attending the orthodontic clinic at King Saud University, Riyadh, Kingdom of Saudi Arabia were utilized. The study was carried out between September 2009 and May 2011. The study sample was divided into 6 groups (group 1: 10 years to group 6: 15 years) based on the chronological age of the subject. The skeletal age of the subjects was determined using Greulich and Pyle's standard radiographic atlas, and skeletal maturation was assessed by Fishman's skeletal maturity indicators. The cervical vertebral maturation (CVM) of subjects was determined using angular measurements of the second, third, and fourth cervical vertebral bodies. The validity of the newly developed method was assessed by examining the correlation between CVM stages determined by the angular measurements and the skeletal maturation level as determined by the standard hand-wrist methods. A significant correlation (r=0.94) was found between the angular CVM stages and the skeletal age determined by Greulich and Pyle's atlas from hand-wrist radiographs. Also, a high correlation (r=0.94) was found between the angular CVM stages and the Fishman's hand-wrist skeletal maturity indicators. The new angular measurement approach to determine CVM is valid and has the potential to be applied in assessing skeletal maturity level in growing male children.

Optical spin-to-orbital angular momentum conversion in ultra-thin metasurfaces with arbitrary topological charges

Energy Technology Data Exchange (ETDEWEB)

Bouchard, Frédéric; De Leon, Israel; Schulz, Sebastian A.; Upham, Jeremy; Karimi, Ebrahim, E-mail: ekarimi@uottawa.ca [Department of Physics, University of Ottawa, 25 Templeton, Ottawa, Ontario K1N 6N5 Canada (Canada); Boyd, Robert W. [Department of Physics, University of Ottawa, 25 Templeton, Ottawa, Ontario K1N 6N5 Canada (Canada); Institute of Optics, University of Rochester, Rochester, New York 14627 (United States)

2014-09-08

Orbital angular momentum associated with the helical phase-front of optical beams provides an unbounded “space” for both classical and quantum communications. Among the different approaches to generate and manipulate orbital angular momentum states of light, coupling between spin and orbital angular momentum allows a faster manipulation of orbital angular momentum states because it depends on manipulating the polarisation state of light, which is simpler and generally faster than manipulating conventional orbital angular momentum generators. In this work, we design and fabricate an ultra-thin spin-to-orbital angular momentum converter, based on plasmonic nano-antennas and operating in the visible wavelength range that is capable of converting spin to an arbitrary value of orbital angular momentum ℓ. The nano-antennas are arranged in an array with a well-defined geometry in the transverse plane of the beam, possessing a specific integer or half-integer topological charge q. When a circularly polarised light beam traverses this metasurface, the output beam polarisation switches handedness and the orbital angular momentum changes in value by ℓ=±2qℏ per photon. We experimentally demonstrate ℓ values ranging from ±1 to ±25 with conversion efficiencies of 8.6% ± 0.4%. Our ultra-thin devices are integratable and thus suitable for applications in quantum communications, quantum computations, and nano-scale sensing.

Optical spin-to-orbital angular momentum conversion in ultra-thin metasurfaces with arbitrary topological charges

International Nuclear Information System (INIS)

Bouchard, Frédéric; De Leon, Israel; Schulz, Sebastian A.; Upham, Jeremy; Karimi, Ebrahim; Boyd, Robert W.

2014-01-01

Orbital angular momentum associated with the helical phase-front of optical beams provides an unbounded “space” for both classical and quantum communications. Among the different approaches to generate and manipulate orbital angular momentum states of light, coupling between spin and orbital angular momentum allows a faster manipulation of orbital angular momentum states because it depends on manipulating the polarisation state of light, which is simpler and generally faster than manipulating conventional orbital angular momentum generators. In this work, we design and fabricate an ultra-thin spin-to-orbital angular momentum converter, based on plasmonic nano-antennas and operating in the visible wavelength range that is capable of converting spin to an arbitrary value of orbital angular momentum ℓ. The nano-antennas are arranged in an array with a well-defined geometry in the transverse plane of the beam, possessing a specific integer or half-integer topological charge q. When a circularly polarised light beam traverses this metasurface, the output beam polarisation switches handedness and the orbital angular momentum changes in value by ℓ=±2qℏ per photon. We experimentally demonstrate ℓ values ranging from ±1 to ±25 with conversion efficiencies of 8.6% ± 0.4%. Our ultra-thin devices are integratable and thus suitable for applications in quantum communications, quantum computations, and nano-scale sensing.

Mitigation of radiation-pressure-induced angular instability of a Fabry–Perot cavity consisting of suspended mirrors

Energy Technology Data Exchange (ETDEWEB)

Nagano, Koji, E-mail: knagano@icrr.u-tokyo.ac.jp [KAGRA Observatory, Institute for Cosmic Ray Research, The University of Tokyo, 5-1-5 Kashiwa-no-Ha, Kashiwa, Chiba 277-8582 (Japan); Enomoto, Yutaro; Nakano, Masayuki [KAGRA Observatory, Institute for Cosmic Ray Research, The University of Tokyo, 5-1-5 Kashiwa-no-Ha, Kashiwa, Chiba 277-8582 (Japan); Furusawa, Akira [Department of Applied Physics, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Kawamura, Seiji [KAGRA Observatory, Institute for Cosmic Ray Research, The University of Tokyo, 5-1-5 Kashiwa-no-Ha, Kashiwa, Chiba 277-8582 (Japan)

2016-12-01

To observe radiation pressure noise in optical cavities consisting of suspended mirrors, high laser power is necessary. However, because the radiation pressure on the mirrors could cause an angular anti-spring effect, the high laser power could induce angular instability to the cavity. An angular control system using radiation pressure as an actuator, which was previously invented to reduce the anti-spring effect for the low power case, was applied to the higher power case where the angular instability would occur. As a result the angular instability was mitigated. It was also demonstrated that the cavity was unstable without this control system. - Highlights: • High laser power could cause angular instability to a suspended Fabry–Perot cavity. • To mitigate the instability, the control system using radiation pressure is applied. • Mitigating the radiation-pressure-induced angular instability is demonstrated. • It is also confirmed that the cavity would be unstable without the control system.

Angular distributions of intermediate mass fragments emitted in 30 MeV/u 40Ar induced reactions

International Nuclear Information System (INIS)

Gou Quanbu; Zhu Yongtai; Xu Hushan; Wei Zhiyong; Lu Jun; Zhang Yuhu; Wang Qi; Li Songlin; Wu Zhongli

1999-01-01

The angular distributions of intermediate mass fragments with charge numbers from 3 to 24 emitted in 30 MeV/u 40 Ar + 58,64 Ni and 115 In reactions over an angular range of 5 degree-140 degree have been measured. In different angular region an exponential distribution function dσ/dΩ = N exp(-θ/α) was used to fit the measured angular distributions. The decay factor α which can be connected with the interaction time τ and the factor N which is related to the intensity of the emission sources have been extracted. The relationship of α(Z) and N(Z) with Z for different reaction systems and different angular regions has been discussed. The different behavior of dσ/dΩ, α(Z), and N(Z) for the three studied reaction systems exists mainly in the middle and backward angular regions. The dependencies of angular distributions on isospin and the size of reaction systems have also been discussed

Nuclear level density parameter 's dependence on angular momentum

International Nuclear Information System (INIS)

Aggarwal, Mamta; Kailas, S.

2009-01-01

Nuclear level densities represent a very important ingredient in the statistical Model calculations of nuclear reaction cross sections and help to understand the microscopic features of the excited nuclei. Most of the earlier experimental nuclear level density measurements are confined to low excitation energy and low spin region. A recent experimental investigation of nuclear level densities in high excitation energy and angular momentum domain with some interesting results on inverse level density parameter's dependence on angular momentum in the region around Z=50 has motivated us to study and analyse these experimental results in a microscopic theoretical framework. In the experiment, heavy ion fusion reactions are used to populate the excited and rotating nuclei and measured the α particle evaporation spectra in coincidence with ray multiplicity. Residual nuclei are in the range of Z R 48-55 with excitation energy range 30 to 40 MeV and angular momentum in 10 to 25. The inverse level density parameter K is found to be in the range of 9.0 - 10.5 with some exceptions

Angular parallelization of a curvilinear Sn transport theory method

International Nuclear Information System (INIS)

Haghighat, A.

1991-01-01

In this paper a parallel algorithm for angular domain decomposition (or parallelization) of an r-dependent spherical S n transport theory method is derived. The parallel formulation is incorporated into TWOTRAN-II using the IBM Parallel Fortran compiler and implemented on an IBM 3090/400 (with four processors). The behavior of the parallel algorithm for different physical problems is studied, and it is concluded that the parallel algorithm behaves differently in the presence of a fission source as opposed to the absence of a fission source; this is attributed to the relative contributions of the source and the angular redistribution terms in the S s algorithm. Further, the parallel performance of the algorithm is measured for various problem sizes and different combinations of angular subdomains or processors. Poor parallel efficiencies between ∼35 and 50% are achieved in situations where the relative difference of parallel to serial iterations is ∼50%. High parallel efficiencies between ∼60% and 90% are obtained in situations where the relative difference of parallel to serial iterations is <35%

The γ-ray angular distribution in fast neutron inelastic scattering from iron

Science.gov (United States)

Beyer, Roland; Dietz, Mirco; Bemmerer, Daniel; Junghans, Arnd R.; Kögler, Toni; Massarczyk, Ralph; Müller, Stefan; Schmidt, Konrad; Schwengner, Ronald; Szücs, Tamás; Takács, Marcell P.; Wagner, Andreas

2018-04-01

The angular distribution of γ-rays emitted after inelastic scattering of fast neutrons from iron was determined at the n ELBE neutron time-of-flight facility. An iron sample of natural isotopic composition was irradiated by a continuous photo-neutron spectrum in the energy range from about 0.1 up to 10 MeV. The de-excitation γ-rays of the four lowest excited states of 56Fe and the first excited state of 54Fe were detected using a setup of five high-purity germanium (HPGe) detectors and five LaBr3 scintillation detectors positioned around the sample at 30°, 55°, 90°, 125° and 150° with respect to the incoming neutron beam. The resulting angular distributions were fitted by Legendre polynomials up to 4th order and the angular distribution coefficients a2 and a4 were extracted. The angular distribution coefficients of three transitions in 56Fe are reported here for the first time. The results are applied to a previous measurement of the inelastic scattering cross section determined using a single HPGe detector positioned at 125°. Using the updated γ-ray angular distribution, the previous cross section results are in good agreement with reference data.

Interaction between alkaline earth cations and oxo-ligands. DFT study of the affinity of the Ca2+ cation for carbonyl ligands.

Science.gov (United States)

da Costa, Leonardo Moreira; Carneiro, José Walkimar de Mesquita; Romeiro, Gilberto Alves; Paes, Lilian Weitzel Coelho

2011-02-01

The affinity of the Ca(2+) ion for a set of substituted carbonyl ligands was analyzed with both the DFT (B3LYP/6-31+G(d)) and semi-empirical (PM6) methods. Two types of ligands were studied: a set of monosubstituted [O=CH(R)] and a set of disubstituted ligands [O=C(R)(2)] (R=H, F, Cl, Br, OH, OCH(3), CH(3), CN, NH(2) and NO(2)), with R either directly bound to the carbonyl carbon atom or to the para position of a phenyl ring. The interaction energy was calculated to quantify the affinity of the Ca(2+) cation for the ligands. Geometric and electronic parameters were correlated with the intensity of the metal-ligand interaction. The electronic nature of the substituent is the main parameter that determines the interaction energy. Donor groups make the interaction energy more negative (stabilizing the complex formed), while acceptor groups make the interaction energy less negative (destabilizing the complex formed).

Semiclassical analysis of the Wigner 12j symbol with one small angular momentum

International Nuclear Information System (INIS)

Yu Liang

2011-01-01

We derive an asymptotic formula for the Wigner 12j symbol, in the limit of one small and 11 large angular momenta. There are two kinds of asymptotic formulas for the 12j symbol with one small angular momentum. We present the first kind of formula in this paper. Our derivation relies on the techniques developed in the semiclassical analysis of the Wigner 9j symbol [L. Yu and R. G. Littlejohn, Phys. Rev. A 83, 052114 (2011)], where we used a gauge-invariant form of the multicomponent WKB wave functions to derive asymptotic formulas for the 9j symbol with small and large angular momenta. When applying the same technique to the 12j symbol in this paper, we find that the spinor is diagonalized in the direction of an intermediate angular momentum. In addition, we find that the geometry of the derived asymptotic formula for the 12j symbol is expressed in terms of the vector diagram for a 9j symbol. This illustrates a general geometric connection between asymptotic limits of the various 3nj symbols. This work contributes an asymptotic formula for the 12j symbol to the quantum theory of angular momentum, and serves as a basis for finding asymptotic formulas for the Wigner 15j symbol with two small angular momenta.

Estudo radiológico do valor angular da cifose torácica em adolescentes Estudio radiológico del valor angular de la cifosis torácica en adolescentes Radiological study of the angular value of thoracic kyphosis in adolescents

Directory of Open Access Journals (Sweden)

Juan Javier Moreira Moreira

2010-12-01

Full Text Available OBJETIVO: determinar a diferença dos valores angulares da cifose torácica utilizando como vértebra terminal cranial diferentes níveis (T2 a T5. MÉTODOS: foram avaliadas radiografias em perfil de cem adolescentes voluntários saudáveis da Escola Industrial do Serviço Social da Indústria (SESI de Ribeirão Preto (SP, com prévia autorização dos pais ou responsáveis. Foram excluídas as radiografias de dez indivíduos por falhas na qualidade. Os parâmetros avaliados foram: mensuração da cifose torácica pelo método de Cobb, utilizando T2, T3, T4 ou T5 como vértebra terminal cranial e T12 como vértebra terminal caudal. RESULTADOS: foram avaliados 90 indivíduos (46 do sexo masculino e 44 do feminino, com idade variando de 13 a 15 anos (média 14±6. O valor angular da cifose torácica nos diferentes níveis variou entre 45º (T2-T12 e 35º (T5-T12 no sexo masculino, e valor angular entre 43º(T2-T12 e 30º (T5-T12 no sexo feminino. CONCLUSÃO: foi observada diferença constante de aproximadamente 5º quando comparados os valores angulares da cifose torácica utilizando diferentes níveis (T2 a T5 como vértebra terminal cranial.OBJETIVO: determinar la diferencia de los valores angulares de la cifosis torácica usando como vértebra terminal craneal, diferentes niveles (T2 a T5. MÉTODOS: fueron evaluadas radiografías en perfil de cien adolescentes voluntarios saludables de la Escola Industrial do Serviço Social da Indústria (SESI de Ribeirão Preto (SP, con previa autorización de sus padres o responsables. Fueron excluidas radiografías de diez individuos por fallas de resolución. Los parámetros evaluados fueron: la medida de la cifosis torácica por el método de Cobb, usando T2,T3,T4 y T5 como vértebra terminal craneal y T12 como vértebra terminal caudal. RESULTADOS: fueron evaluados 90 individuos (46 hombres y 44 mujeres, con edades que varían de 13 a 15 años (media 14±6. El valor angular de la cifosis torácica en los

Whole-body angular momentum during stair walking using passive and powered lower-limb prostheses.

Science.gov (United States)

Pickle, Nathaniel T; Wilken, Jason M; Aldridge, Jennifer M; Neptune, Richard R; Silverman, Anne K

2014-10-17

Individuals with a unilateral transtibial amputation have a greater risk of falling compared to able-bodied individuals, and falling on stairs can lead to serious injuries. Individuals with transtibial amputations have lost ankle plantarflexor muscle function, which is critical for regulating whole-body angular momentum to maintain dynamic balance. Recently, powered prostheses have been designed to provide active ankle power generation with the goal of restoring biological ankle function. However, the effects of using a powered prosthesis on the regulation of whole-body angular momentum are unknown. The purpose of this study was to use angular momentum to evaluate dynamic balance in individuals with a transtibial amputation using powered and passive prostheses relative to able-bodied individuals during stair ascent and descent. Ground reaction forces, external moment arms, and joint powers were also investigated to interpret the angular momentum results. A key result was that individuals with an amputation had a larger range of sagittal-plane angular momentum during prosthetic limb stance compared to able-bodied individuals during stair ascent. There were no significant differences in the frontal, transverse, or sagittal-plane ranges of angular momentum or maximum magnitude of the angular momentum vector between the passive and powered prostheses during stair ascent or descent. These results indicate that individuals with an amputation have altered angular momentum trajectories during stair walking compared to able-bodied individuals, which may contribute to an increased fall risk. The results also suggest that a powered prosthesis provides no distinct advantage over a passive prosthesis in maintaining dynamic balance during stair walking. Copyright © 2014 Elsevier Ltd. All rights reserved.

Models of protein–ligand crystal structures: trust, but verify

Science.gov (United States)

Deller, Marc C.

2015-01-01

X-ray crystallography provides the most accurate models of protein–ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein–ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein–ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein–ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein–ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein–ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein–ligand models for their computational and biological studies, and we provide an overview of how this can be achieved. PMID:25665575

Models of protein-ligand crystal structures: trust, but verify.

Science.gov (United States)

Deller, Marc C; Rupp, Bernhard

2015-09-01

X-ray crystallography provides the most accurate models of protein-ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein-ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein-ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein-ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein-ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein-ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein-ligand models for their computational and biological studies, and we provide an overview of how this can be achieved.

Quantitative analysis of protein-ligand interactions by NMR.

Science.gov (United States)

Furukawa, Ayako; Konuma, Tsuyoshi; Yanaka, Saeko; Sugase, Kenji

2016-08-01

Protein-ligand interactions have been commonly studied through static structures of the protein-ligand complex. Recently, however, there has been increasing interest in investigating the dynamics of protein-ligand interactions both for fundamental understanding of the underlying mechanisms and for drug development. NMR is a versatile and powerful tool, especially because it provides site-specific quantitative information. NMR has widely been used to determine the dissociation constant (KD), in particular, for relatively weak interactions. The simplest NMR method is a chemical-shift titration experiment, in which the chemical-shift changes of a protein in response to ligand titration are measured. There are other quantitative NMR methods, but they mostly apply only to interactions in the fast-exchange regime. These methods derive the dissociation constant from population-averaged NMR quantities of the free and bound states of a protein or ligand. In contrast, the recent advent of new relaxation-based experiments, including R2 relaxation dispersion and ZZ-exchange, has enabled us to obtain kinetic information on protein-ligand interactions in the intermediate- and slow-exchange regimes. Based on R2 dispersion or ZZ-exchange, methods that can determine the association rate, kon, dissociation rate, koff, and KD have been developed. In these approaches, R2 dispersion or ZZ-exchange curves are measured for multiple samples with different protein and/or ligand concentration ratios, and the relaxation data are fitted to theoretical kinetic models. It is critical to choose an appropriate kinetic model, such as the two- or three-state exchange model, to derive the correct kinetic information. The R2 dispersion and ZZ-exchange methods are suitable for the analysis of protein-ligand interactions with a micromolar or sub-micromolar dissociation constant but not for very weak interactions, which are typical in very fast exchange. This contrasts with the NMR methods that are used

Probabilistic calculation for angular dependence collision

International Nuclear Information System (INIS)

Villarino, E.A.

1990-01-01

This collision probabilistic method is broadly used in cylindrical geometry (in one- or two-dimensions). It constitutes a powerful tool for the heterogeneous Response Method where, the coupling current is of the cosine type, that is, without angular dependence at azimuthal angle θ and proportional to μ (cosine of the θ polar angle). (Author) [es

Spin and intrinsic angular momentum; application to the electromagnetic field

International Nuclear Information System (INIS)

Paillere, P.

1993-05-01

Within the framework of the field theory governed by a Lagrangian, function of the tensor quantities and their covariant first derivatives, and starting with the third order intrinsic angular momentum tensor obtained from a variational principle, the intrinsic angular momentum vector of the electromagnetic field in vacuum is determined. This expression leads to spin matrices for the electromagnetic field, with unity as eigenvalue, thus allowing to bridge the gap between continuous physics and quantum physics. 6 refs

New synthetic routes toward enantiopure nitrogen donor ligands

OpenAIRE

Sala, Xavier; Rodríguez, Anna M.; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Zelewsky, Alexander von; Llobet, Antoni; Benet-Buchholz, Jordi

2008-01-01

New polypyridylic chiral ligands, having either C₃ or lower symmetry, have been prepared via a de novo construction of the pyridine nucleus by means of Kröhnke methodology in the key step. The chiral moieties of these ligands originate from the monoterpen chiral pool, namely (-)-α-pinene ((-)-14, (-)-15) and (-)-myrtenal ((-)-9, (-)-10). Extension of the above-mentioned asymmetric synthesis procedure to the preparation of enantiopure derivatives of some commonly used polypyridylic ligands has...

Effects of PPARγ ligands on vascular tone.

Science.gov (United States)

Salomone, Salvatore; Drago, Filippo

2012-06-01

Peroxisome Proliferator-Activated Receptor γ (PPARγ), originally described as a transcription factor for genes of carbohydrate and lipid metabolism, has been more recently studied in the context of cardiovascular pathophysiology. Here, we review the available data on PPARγ ligands as modulator of vascular tone. PPARγ ligands include: thiazolidinediones (used in the treatment of type 2 diabetes mellitus), glitazars (bind and activate both PPARγ and PPARα), and other experimental drugs (still in development) that exploit the chemistry of thiazolidinediones as a scaffold for PPARγ-independent pharmacological properties. In this review, we examine both short (mostly from in vitro data)- and long (mostly from in vivo data)-term effects of PPARγ ligands that extend from PPARγ-independent vascular effects to PPARγ-dependent gene expression. Because endothelium is a master regulator of vascular tone, we have attempted to differentiate between endothelium-dependent and endothelium-independent effects of PPARγ ligands. Based on available data, we conclude that PPARγ ligands appear to influence vascular tone in different experimental paradigms, most often in terms of vasodilatation (potentially increasing blood flow to some tissues). These effects on vascular tone, although potentially beneficial, must be weighed against specific cardiovascular warnings that may apply to some drugs, such as rosiglitazone.

Amplitude damping channel for orbital angular momentum

CSIR Research Space (South Africa)

Dudley, Angela L

2010-03-01

Full Text Available Since the pioneering work on the entanglement of the orbital angular momentum (OAM) states of light, much attention has been devoted to the subject, with particular attention into the quantum aspects of information processing using OAM. Furthermore...

Rotating Hele-Shaw cell with a time-dependent angular velocity

Science.gov (United States)

Anjos, Pedro H. A.; Alvarez, Victor M. M.; Dias, Eduardo O.; Miranda, José A.

2017-12-01

Despite the large number of existing studies of viscous flows in rotating Hele-Shaw cells, most investigations analyze rotational motion with a constant angular velocity, under vanishing Reynolds number conditions in which inertial effects can be neglected. In this work, we examine the linear and weakly nonlinear dynamics of the interface between two immiscible fluids in a rotating Hele-Shaw cell, considering the action of a time-dependent angular velocity, and taking into account the contribution of inertia. By using a generalized Darcy's law, we derive a second-order mode-coupling equation which describes the time evolution of the interfacial perturbation amplitudes. For arbitrary values of viscosity and density ratios, and for a range of values of a rotational Reynolds number, we investigate how the time-dependent angular velocity and inertia affect the important finger competition events that traditionally arise in rotating Hele-Shaw flows.

Measuring average angular velocity with a smartphone magnetic field sensor

Science.gov (United States)

Pili, Unofre; Violanda, Renante

2018-02-01

The angular velocity of a spinning object is, by standard, measured using a device called a tachometer. However, by directly using it in a classroom setting, the activity is likely to appear as less instructive and less engaging. Indeed, some alternative classroom-suitable methods for measuring angular velocity have been presented. In this paper, we present a further alternative that is smartphone-based, making use of the real-time magnetic field (simply called B-field in what follows) data gathering capability of the B-field sensor of the smartphone device as the timer for measuring average rotational period and average angular velocity. The in-built B-field sensor in smartphones has already found a number of uses in undergraduate experimental physics. For instance, in elementary electrodynamics, it has been used to explore the well-known Bio-Savart law and in a measurement of the permeability of air.

Angular velocity determination of spinning solar sails using only a sun sensor

Directory of Open Access Journals (Sweden)

Kun Zhai

2017-02-01

Full Text Available The direction of the sun is the easiest and most reliable observation vector for a solar sail running in deep space exploration. This paper presents a new method using only raw measurements of the sun direction vector to estimate angular velocity for a spinning solar sail. In cases with a constant spin angular velocity, the estimation equation is formed based on the kinematic model for the apparent motion of the sun direction vector; the least-squares solution is then easily calculated. A performance criterion is defined and used to analyze estimation accuracy. In cases with a variable spin angular velocity, the estimation equation is developed based on the kinematic model for the apparent motion of the sun direction vector and the attitude dynamics equation. Simulation results show that the proposed method can quickly yield high-precision angular velocity estimates that are insensitive to certain measurement noises and modeling errors.

Angular dependence of response of dosimeters exposed to an extended radioactive source

International Nuclear Information System (INIS)

Manai, K.; Trabelsi, A.; Madouri, F.

2014-01-01

This study was carried out to investigate the exposure angular dependence of dosimeters response when exposed to the extended gamma source of an irradiation facility. Using analytical and Monte Carlo analysis, we show that dosimeters response has no angular dependence as claimed by a previous study. The dose rate formula we derived takes into account the path length of the photons in the dosimeter. Experimental data have been used to validate our analytical and Monte Carlo methods. Furthermore, the effects on the dosimeters responses in relation to their sizes response of their size and geometry and orientation have been investigated and, within statistical errors, no angular dependence was found. - Highlights: • We investigate the exposer angle dependence of dosimeter response to a gamma source. • Analytical and Monte Carlo analyses show no angular dependence as claimed by others. • We derive the dose rate formulae taking into account the path length of photons. • Analytical and Monte Carlo models have been validated using experimental data

The role of angular momentum conservation law in statistical mechanics

Directory of Open Access Journals (Sweden)

I.M. Dubrovskii

2008-12-01

Full Text Available Within the limits of Khinchin ideas [A.Y. Khinchin, Mathematical Foundation of Statistical Mechanics. NY, Ed. Dover, 1949] the importance of momentum and angular momentum conservation laws was analyzed for two cases: for uniform magnetic field and when magnetic field is absent. The law of momentum conservation does not change the density of probability distribution in both cases, just as it is assumed in the conventional theory. It is shown that in systems where the kinetic energy depends only on particle momenta canonically conjugated with Cartesian coordinates being their diagonal quadric form,the angular momentum conservation law changes the density of distribution of the system only in case the full angular momentum of a system is not equal to zero. In the gas of charged particles in a uniform magnetic field the density of distribution also varies if the angular momentum is zero [see Dubrovskii I.M., Condensed Matter Physics, 2206, 9, 23]. Two-dimensional gas of charged particles located within a section of an endless strip filled with gas in magnetic field is considered. Under such conditions the angular momentum is not conserved. Directional particle flows take place close to the strip boundaries, and, as a consequence, the phase trajectory of the considered set of particles does not remain within the limited volume of the phase space. In order to apply a statistical thermodynamics method, it was suggested to consider near-boundary trajectories relative to a reference system that moves uniformly. It was shown that if the diameter of an orbit having average thermal energy is much smaller than a strip width, the corrections to thermodynamic functions are small depending on magnetic field. Only the average velocity of near-boundary particles that form near-boundary electric currents creating the paramagnetic moment turn out to be essential.

Explicit all-atom modeling of realistically sized ligand-capped nanocrystals

KAUST Repository

Kaushik, Ananth P.

2012-01-01

We present a study of an explicit all-atom representation of nanocrystals of experimentally relevant sizes (up to 6 nm), capped with alkyl chain ligands, in vacuum. We employ all-atom molecular dynamics simulation methods in concert with a well-tested intermolecular potential model, MM3 (molecular mechanics 3), for the studies presented here. These studies include determining the preferred conformation of an isolated single nanocrystal (NC), pairs of isolated NCs, and (presaging studies of superlattice arrays) unit cells of NC superlattices. We observe that very small NCs (3 nm) behave differently in a superlattice as compared to larger NCs (6 nm and above) due to the conformations adopted by the capping ligands on the NC surface. Short ligands adopt a uniform distribution of orientational preferences, including some that lie against the face of the nanocrystal. In contrast, longer ligands prefer to interdigitate. We also study the effect of changing ligand length and ligand coverage on the NCs on the preferred ligand configurations. Since explicit all-atom modeling constrains the maximum system size that can be studied, we discuss issues related to coarse-graining the representation of the ligands, including a comparison of two commonly used coarse-grained models. We find that care has to be exercised in the choice of coarse-grained model. The data provided by these realistically sized ligand-capped NCs, determined using explicit all-atom models, should serve as a reference standard for future models of coarse-graining ligands using united atom models, especially for self-assembly processes. © 2012 American Institute of Physics.

Regulation mechanisms of the FLT3-ligand after irradiation

International Nuclear Information System (INIS)

Prat-Lepesant, M.

2005-06-01

The hematopoietic compartment is one of the most severely damaged after chemotherapy, radiotherapy or accidental irradiations. Whatever its origin, the resulting damage to the bone marrow remains difficult to evaluate. Thus, it would be of great interest to get a biological indicator of residual hematopoiesis in order to adapt the treatment to each clinical situation. Recent results indicated that the plasma Flt3 ligand concentration was increased in patients suffering from either acquired or induced aplasia, suggesting that Flt3 ligand might be useful as a biological indicator of bone marrow status. We thus followed in a mouse model as well as in several clinical situations the variations in plasma Flt3 ligand concentration, after either homogeneous or heterogeneous irradiations. These variations were correlated to the number of hematopoietic progenitors and to other parameters such as duration and depth of pancytopenia. The results indicated that the concentration of Flt3 ligand in the blood reflects the bone marrow status, and that the follow-up of plasma Flt3 ligand concentration could give predictive information about the bone marrow function and the duration and severity of pancytopenia and thrombocytopenia. Nevertheless, the clinical use of Flt3 ligand as a biological indicator of bone marrow damage require the knowledge of the mechanisms regulating the variations in plasma Flt3 ligand concentration. We thus developed a study in the mouse model. The results indicated that the variations in plasma Flt3 ligand variations were not solely due to a balance between its production by lymphoid cells and its consumption by hematopoietic cells. Moreover, we showed that T lymphocytes are not the main regulator of plasma Flt3 ligand concentration as previously suggested, and that other cell types, possibly including bone marrow stromal cells, might be strongly implicated. These results also suggest that the Flt3 ligand is a main systemic regulator of hematopoiesis

The angular gamma flux in an iron slab shield

International Nuclear Information System (INIS)