A Novel Class of Metal-Directed Supramolecular DNA-Delivery Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cruz-Campa, I.; Arzola, A.; Santiago, L.

2009-06-03

The bis-complexes [Cu(L{sub dt}){sub 2}](OTf){sub 2} ( 1) and [Cu(L{sub ot}){sub 2}](OTf){sub 2} ( 2), where L{sub dt} = 1-dodecyl-1,4,7-triazacyclononane, L{sup ot} = 1-octadecyl-1,4,7-triazacyclononane and OTf = trifluoromethanesulfonate, formed a novel class of metallo-liposomes in water that transfect pEGFP-N1 plasmids into HEK 293-T cells at 38% and 4% efficiency, respectively.

Novel probiotic dissolvable carboxymethyl cellulose films as oral health biotherapeutics: in vitro preparation and characterization.

PubMed

Saha, Shyamali; Tomaro-Duchesneau, Catherine; Daoud, Jamal T; Tabrizian, Maryam; Prakash, Satya

2013-11-01

Oral health is influenced by the mouth's resident microorganisms. Dental caries and periodontitis are oral disorders caused by imbalances in the oral microbiota. Probiotics have potential for the prevention and treatment of oral disorders. Current formulations, including supplements and foods, have limitations for oral delivery including short storage time, low residence time in the mouth, effects on food consistency, and low patient compliance. Oral thin films (OTFs) may be efficient in delivering probiotics to the mouth. This research aims to develop a novel carboxymethyl cellulose (CMC)-probiotic-OTF to deliver probiotics for the treatment/prevention of oral disorders. CMC-OTFs were developed with varying CMC concentration (1.25 - 10 mg/mL), weight (5 - 40 g), thickness (16 - 262 μm), hygroscopicity (30.8 - 78.9 mg/cm(2) film), and dissolving time (135 - 600 s). The 10 g 5 mg/mL CMC-OTF was selected and used to incorporate Lactobacillus fermentum NCIMB 5221 (6.75 × 10(8) cells/film), a probiotic with anti-inflammatory potential for periodontitis treatment and capable of inhibiting microorganisms responsible for dental caries and oral candidiasis. The CMC-OTF maintained probiotic viability and antioxidant activity following 150 days of storage with a production of 549.52 ± 26.08 μM Trolox equivalents. This research shows the successful development and characterization of a novel probiotic-CMC-OTF with potential as an oral health biotherapeutic.

Evaluation of ERTS-1 image sensor spatial resolution in photographic form

NASA Technical Reports Server (NTRS)

Slater, P. N. (Principal Investigator); Schowengerdt, R. A.

1975-01-01

The author has identified the following significant results. The digital Optical Transfer Function (OTF) measurements showed the following: (1) there are no significant differences in optical performance, in terms of OTF, among all four bands of the multispectral scanner, (2) no substantial changes in the OTF's of bands 4, 5, and 6 during the period November 1972 to May 1973, and (3) comparison between the photographic and digital (CCT) two-dimensional OTF's indicated a strong asymmetry in the photographic product OTF between the MSS scan direction and across scan direction. The coherent light Fourier analysis program showed the following: (1) for agricultural areas, bands 5 and 7 of the MSS are superior in terms of image definition, and therefore mapping and acreage estimation, (2) amplitude modulation in imagery from MSS bands 4 and 5 is between 65 to 90 percent of that in corresponding bands of Apollo 9 imagery (SO65), and (3) MSS band 5 imagery has a ground resolution between 55 to 75 percent of that exhibited in the corresponding band of Apollo 9 imagery (SO65).

Unprecedented reduction of the uranyl ion [UO2]2+ into a polyoxo uranium(IV) cluster: synthesis and crystal structure of the first f-element oxide with a M6(micro3-O)8 core.

PubMed

Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel

2005-07-21

The smooth comproportionation reaction of the U(VI) and U(III) complexes UO2(OTf)2 and U(OTf)3, afforded the hexanuclear U(IV) oxide cluster [U6(micro3-O)8(micro2-OTf)8(py)8], a rare example of a metal oxide with a M6(micro3-O)8 core.

Production of Jet Fuel-Range Hydrocarbons from Hydrodeoxygenation of Lignin over Super Lewis Acid Combined with Metal Catalysts

DOE PAGES

Wang, Hongliang; Wang, Huamin; Kuhn, Eric; ...

2017-11-14

Super Lewis acids containing the triflate anion [e.g., Hf(OTf) 4, Ln(OTf) 3, In(OTf) 3, Al(OTf) 3] and noble metal catalysts (e.g., Ru/C, Ru/Al2O 3) formed efficient catalytic systems to generate saturated hydrocarbons from lignin in high yields. In such catalytic systems, the metal triflates mediated rapid ether bond cleavage through selective bonding to etheric oxygens while the noble metal catalyzed subsequent hydrodeoxygenation (HDO) reactions. Near theoretical yields of hydrocarbons were produced from lignin model compounds by the combined catalysis of Hf(OTf)4 and ruthenium-based catalysts. When a technical lignin derived from a pilot-scale biorefinery was used, more than 30 wt %more » of the hydrocarbons produced with this catalytic system were cyclohexane and alkylcyclohexanes in the jet fuel range. Super Lewis acids are postulated to strongly interact with lignin substrates by protonating hydroxyl groups and ether linkages, forming intermediate species that enhance hydrogenation catalysis by supported noble metal catalysts. Meanwhile, the hydrogenation of aromatic rings by the noble metal catalysts can promote oxygenation reactions catalyzed by super Lewis acids.« less

Production of Jet Fuel-Range Hydrocarbons from Hydrodeoxygenation of Lignin over Super Lewis Acid Combined with Metal Catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Hongliang; Wang, Huamin; Kuhn, Eric

Super Lewis acids containing the triflate anion [e.g., Hf(OTf) 4, Ln(OTf) 3, In(OTf) 3, Al(OTf) 3] and noble metal catalysts (e.g., Ru/C, Ru/Al2O 3) formed efficient catalytic systems to generate saturated hydrocarbons from lignin in high yields. In such catalytic systems, the metal triflates mediated rapid ether bond cleavage through selective bonding to etheric oxygens while the noble metal catalyzed subsequent hydrodeoxygenation (HDO) reactions. Near theoretical yields of hydrocarbons were produced from lignin model compounds by the combined catalysis of Hf(OTf)4 and ruthenium-based catalysts. When a technical lignin derived from a pilot-scale biorefinery was used, more than 30 wt %more » of the hydrocarbons produced with this catalytic system were cyclohexane and alkylcyclohexanes in the jet fuel range. Super Lewis acids are postulated to strongly interact with lignin substrates by protonating hydroxyl groups and ether linkages, forming intermediate species that enhance hydrogenation catalysis by supported noble metal catalysts. Meanwhile, the hydrogenation of aromatic rings by the noble metal catalysts can promote oxygenation reactions catalyzed by super Lewis acids.« less

Production of Jet Fuel-Range Hydrocarbons from Hydrodeoxygenation of Lignin over Super Lewis Acid Combined with Metal Catalysts.

PubMed

Wang, Hongliang; Wang, Huamin; Kuhn, Eric; Tucker, Melvin P; Yang, Bin

2018-01-10

Super Lewis acids containing the triflate anion [e.g., Hf(OTf) 4 , Ln(OTf) 3 , In(OTf) 3 , Al(OTf) 3 ] and noble metal catalysts (e.g., Ru/C, Ru/Al 2 O 3 ) formed efficient catalytic systems to generate saturated hydrocarbons from lignin in high yields. In such catalytic systems, the metal triflates mediated rapid ether bond cleavage through selective bonding to etheric oxygens while the noble metal catalyzed subsequent hydrodeoxygenation (HDO) reactions. Near theoretical yields of hydrocarbons were produced from lignin model compounds by the combined catalysis of Hf(OTf) 4 and ruthenium-based catalysts. When a technical lignin derived from a pilot-scale biorefinery was used, more than 30 wt % of the hydrocarbons produced with this catalytic system were cyclohexane and alkylcyclohexanes in the jet fuel range. Super Lewis acids are postulated to strongly interact with lignin substrates by protonating hydroxyl groups and ether linkages, forming intermediate species that enhance hydrogenation catalysis by supported noble metal catalysts. Meanwhile, the hydrogenation of aromatic rings by the noble metal catalysts can promote deoxygenation reactions catalyzed by super Lewis acids. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gold(I) Complexes with N-Donor Ligands. 2.(1) Reactions of Ammonium Salts with [Au(acac-kappaC(2))(PR(3))] To Give [Au(NH(3))L](+), [(AuL)(2)(&mgr;(2)-NH(2))](+), [(AuL)(4)(&mgr;(4)-N)](+), or [(AuL)(3)(&mgr;(3)-O)](+). A New and Facile Synthesis of [Au(NH(3))(2)](+) Salts. Crystal Structure of [{AuP(C(6)H(4)OMe-4)(3)}(3)(&mgr;(3)-O)]CF(3)SO(3).

PubMed

Vicente, José; Chicote, María-Teresa; Guerrero, Rita; Jones, Peter G.; Ramírez De Arellano, M. Carmen

1997-09-24

The complexes [Au(acac-kappaC(2))(PR(3))] (acac = acetylacetonate, R = Ph, C(6)H(4)OMe-4) react with (NH(4))ClO(4) to give amminegold(I), [Au(NH(3))(PR(3))]ClO(4), amidogold(I), [(AuPR(3))(2)(&mgr;(2)-NH(2))]ClO(4), or nitridogold(I), [(AuPR(3))(4)(&mgr;(4)-N)]ClO(4), complexes, depending on the reaction conditions. Similarly, [Au(acac-kappaC(2))(PPh(3))] reacts with (NH(3)R')OTf (OTf = CF(3)SO(3)) (1:1) or with [H(3)N(CH(2))(2)NH(2)]OTf (1:1) to give (amine)gold(I) complexes [Au(NH(2)R')(PPh(3))]OTf (R' = Me, C(6)H(4)NO(2)-4) or [(AuPPh(3))(2){&mgr;(2)-H(2)N(CH(2))(2)NH(2)}](OTf)(2), respectively. The ammonium salts (NH(2)R'(2))OTf (R' = Et, Ph) react with [Au(acac-kappaC(2))(PR(3))] (R = Ph, C(6)H(4)OMe-4) (1:2) to give, after hydrolysis, the oxonium salts [(AuPR(3))(3)(&mgr;(3)-O)]OTf (R = Ph, C(6)H(4)OMe-4). When NH(3) is bubbled through a solution of [AuCl(tht)] (tht = tetrahydrothiophene), the complex [Au(NH(3))(2)]Cl precipitates. Addition of [Au(NH(3))(2)]Cl to a solution of AgClO(4) or TlOTf leads to the isolation of [Au(NH(3))(2)]ClO(4) or [Au(NH(3))(2)]OTf, respectively. The crystal structure of [(AuPR(3))(3)(&mgr;(3)-O)]OTf.Me(2)CO (R = C(6)H(4)OMe-4) has been determined: triclinic, space group P&onemacr;, a = 14.884(3) Å, b = 15.828(3) Å, c = 16.061(3) Å, alpha = 83.39(3) degrees, beta = 86.28(3) degrees, gamma = 65.54(3) degrees, R1 (wR2) = 0.0370 (0.0788). The [(AuPR(3))(3)(&mgr;(3)-O)](+) cation shows an essentially trigonal pyramidal array of three gold atoms and one oxygen atom with O-Au-P bond angles of ca. 175 degrees and Au.Au contacts in the range 2.9585(7)-3.0505(14) Å. These cations are linked into centrosymmetric dimers through two short Au.Au [2.9585(7), 3.0919(9) Å] contacts. The gold atoms of the dimer form a six-membered ring with a chair conformation.

Protonation of metal hydrides by strong acids. Formation of an equilibrium mixture of dihydride and dihydrogen complexes from protonation of Cp{sup *}Os(CO){sub 2}H. Structural characterization of [CpW(CO){sub 2}(PMe{sub 3})(H){sub 2}]{sup +}OTf{sup -}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bullock, R.M.; Song, J.S.; Szalda, D.J.

1996-05-14

Cp{sup *}Os(CO){sub 2}H is protonated by triflic acid (HOTf) in CD{sub 2} Cl{sub 2} solution to give an equilibrium mixture (87:13) of the dihydride [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +}OTf{sup -} and the dihydrogen complex [Cp{sup *}Os(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +}OTf{sup -}. The acidity of these protonated species is roughly comparable to HOTf, since only partial protonation was observed. In the absence of acid, the T{sub 1} of the hydride ligand of Cp{sup *}Os(CO){sub 2}H is 5.9 s at -80{degree}C. When all of the Cp{sup *}Os(CO){sub 2}H is protonated by excess HOTf,the T{sub l} (-80{degree}C) of the terminal hydride ligands ofmore » [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +}OTf{sup -} is 2.8 s, while the T{sub l} of the dihydrogen ligand of [Cp{sup *}Os(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +} OTf{sup -} is 19 ms, (-80{degree}C). The observed T{sub l} values of the Os-H resonance of Cp{sup *}Os(CO){sub 2}H decreased significantly under conditions of partial protonation, indicating intermolecular proton transfer among [Cp{sup *}Os(CO){sub 2}({eta}{sup 2}H{sub 2})]{sup +}OTf{sup -}, [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +}OTf{sup -}, Cp{sup *}Os(CO){sub 2}H, and HOTf. IR spectra indicate that the two CO ligands of [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +} (and hence the hydrides as well) are trans to each other in the four-legged piano stool geometry. 62 refs., 6 figs., 8 tabs.« less

B-H Bond Activation by an Amidinate-Stabilized Amidosilylene: Non-Innocent Amidinate Ligand.

PubMed

Khoo, Sabrina; Shan, Yu-Liang; Yang, Ming-Chung; Li, Yongxin; Su, Ming-Der; So, Cheuk-Wai

2018-05-21

The activation of B-H and B-Cl bonds in boranes by base-stabilized low-valent silicon compounds is described. The reaction of the amidinato amidosilylene-borane adduct [L{Ar(Me 3 Si)N}SiBH 3 ] [1; L = PhC(N tBu) 2 , and Ar = 2,6- iPr 2 C 6 H 3 ] with MeOTf in toluene at room temperature formed [L{Ar(Me 3 Si)N}SiBH 2 OTf] (2). [LSiN(SiMe 3 )Ar] in compound 2 then underwent a B-H bond activation with BH 2 OTf in refluxing toluene to afford the B-H bond activation product [LB(H)Si(H)(OTf){N(SiMe 3 )Ar}] (3). On the other hand, when compound 2 was reacted with 4-dimethylaminopyridine in refluxing toluene, another B-H bond activation product [(μ-κ1:κ1-L)B(H)(DMAP)Si(H){N(Ar)SiMe 3 }]OTf (4) was afforded. Mechanistic studies show that "(μ-κ1:κ1-L)B(H)(OTf)Si(H){N(Ar)SiMe 3 }" (2A) is the key intermediate in the reactions mentioned above. The formation of 2A is further evidenced by the activation of the B-Cl bond in PhBCl 2 by the amidinato silicon(I) dimer [LSi:] 2 to form the B-Cl bond activation product [(μ-κ1:κ1-L)B(Cl)(Ph)Si(Cl)] 2 (6). Compounds 2-4 and 6 were characterized by nuclear magnetic resonance spectroscopy and X-ray crystallography.

Accounting for the phase, spatial frequency and orientation demands of the task improves metrics based on the visual Strehl ratio.

PubMed

Young, Laura K; Love, Gordon D; Smithson, Hannah E

2013-09-20

Advances in ophthalmic instrumentation have allowed high order aberrations to be measured in vivo. These measurements describe the distortions to a plane wavefront entering the eye, but not the effect they have on visual performance. One metric for predicting visual performance from a wavefront measurement uses the visual Strehl ratio, calculated in the optical transfer function (OTF) domain (VSOTF) (Thibos et al., 2004). We considered how well such a metric captures empirical measurements of the effects of defocus, coma and secondary astigmatism on letter identification and on reading. We show that predictions using the visual Strehl ratio can be significantly improved by weighting the OTF by the spatial frequency band that mediates letter identification and further improved by considering the orientation of phase and contrast changes imposed by the aberration. We additionally showed that these altered metrics compare well to a cross-correlation-based metric. We suggest a version of the visual Strehl ratio, VScombined, that incorporates primarily those phase disruptions and contrast changes that have been shown independently to affect object recognition processes. This metric compared well to VSOTF for letter identification and was the best predictor of reading performance, having a higher correlation with the data than either the VSOTF or cross-correlation-based metric. Copyright © 2013 The Authors. Published by Elsevier Ltd.. All rights reserved.

Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.

PubMed

Aprile, Antonino; Iversen, Kalon J; Wilson, David J D; Dutton, Jason L

2015-05-18

We report a novel C-H to C-N bond metathesis at the 3-position of 1,2-diphenyltellurophene via oxidation of the Te(II) center to Te(IV) using the I(III) oxidant [PhI(4-DMAP)2](2+). Spontaneous reduction of a transient Te(IV) coordination compound to Te(II) generates an electrophilic equivalent of 4-DMAP that substitutes at a C-H bond at the 3-position of the tellurophene. Theoretical and synthetic reaction pathway studies confirm that a Te(IV) coordination complex with 4-DMAP is an intermediate. In the course of these pathway studies, it was also found that the identity of the I(III) oxidant generated from PhI(OAc)2 and 2 TMS-OTf is PhI(OAc)(OTf) and not PhI(OTf)2, as had been previously thought.

Different β-alanine dimeric forms in trifluoromethanesulfonic acid salts. XRD and vibrational studies.

PubMed

Wołoszyn, Łukasz; Ilczyszyn, Maria M

2018-03-15

Two new crystalline salts: β-alaninium trifluoromethanesulfonate (β-AlaOTf) and bis(β-alanine) trifluoromethanesulfonate (β-2AlaOTf) were obtained. The former one contains diprotonated β-alanine dimer, the latter one monoprotonated β-alanine dimer. Both compounds were studied by single crystal XRD, vibrational (IR and Raman) spectroscopy and calorimetric method. The quantum-mechanical calculations (DFT/B3LYP/6-311++G(2d,2p)) for the diprotonated dimer were carried out. The β-AlaOTf salt crystallizes in the P1¯ space group of triclinic system (Z=2), the β-2AlaOTf in the P2 1 /m space group of monoclinic system (Z=2). The vibrational data for the studied compounds are discussed in relation to their crystal structure, and provide insight into the character of hydrogen bonds and β-alanine protonation. The studied crystals do not exhibit phase transitions in the solid state. Copyright © 2017 Elsevier B.V. All rights reserved.

SABRE-Relay: A Versatile Route to Hyperpolarization.

PubMed

Roy, Soumya S; Appleby, Kate M; Fear, Elizabeth J; Duckett, Simon B

2018-03-01

Signal Amplification by Reversible Exchange (SABRE) is used to switch on the latent singlet spin order of para-hydrogen (p-H 2 ) so that it can hyperpolarize a substrate (sub = nicotinamide, nicotinate, niacin, pyrimidine, and pyrazine). The substrate then reacts reversibly with [Pt(OTf) 2 (bis-diphenylphosphinopropane)] by displacing OTf - to form [Pt(OTf)(sub)(bis-diphenylphosphinopropane)]OTf. The 31 P NMR signals of these metal complexes prove to be enhanced when the substrate possesses an accessible singlet state or long-lived Zeeman polarization. In the case of pyrazine, the corresponding 31 P signal was 105 ± 8 times larger than expected, which equated to an 8 h reduction in total scan time for an equivalent signal-to-noise ratio under normal acquisition conditions. Hence, p-H 2 derived spin order is successfully relayed into a second metal complex via a suitable polarization carrier (sub). When fully developed, we expect this route involving a second catalyst to successfully hyperpolarize many classes of substrates that are not amenable to the original SABRE method.

Synthesis, characterization, and ligand exchange reactivity of a series of first row divalent metal 3-hydroxyflavonolate complexes.

PubMed

Grubel, Katarzyna; Rudzka, Katarzyna; Arif, Atta M; Klotz, Katie L; Halfen, Jason A; Berreau, Lisa M

2010-01-04

A series of divalent metal flavonolate complexes of the general formula [(6-Ph(2)TPA)M(3-Hfl)]X (1-5-X; X = OTf(-) or ClO(4)(-); 6-Ph(2)TPA = N,N-bis((6-phenyl-2-pyridyl)methyl)-N-((2-pyridyl)methyl)amine; M = Mn(II), Co(II), Ni(II), Cu(II), Zn(II); 3-Hfl = 3-hydroxyflavonolate) were prepared and characterized by X-ray crystallography, elemental analysis, FTIR, UV-vis, (1)H NMR or EPR, and cyclic voltammetry. All of the complexes have a bidentate coordinated flavonolate ligand. The difference in M-O distances (Delta(M-O)) involving this ligand varies through the series, with the asymmetry of flavonolate coordination increasing in the order Mn(II) approximately Ni(II) < Cu(II) < Zn(II) < Co(II). The hypsochromic shift of the absorption band I (pi-->pi*) of the coordinated flavonolate ligand in 1-5-OTf (relative to that in free anion) increases in the order Ni(II) < Mn(II) < Cu(II) < Zn(II), Co(II). Previously reported 3-Hfl complexes of divalent metals fit well with this ordering. (1)H NMR studies indicate that the 3-Hfl complexes of Co(II), Ni(II), and Zn(II) exhibit a pseudo-octahedral geometry in solution. EPR studies suggest that the Mn(II) complex 1-OTf may form binuclear structures in solution. The mononuclear Cu(II) complex 4-OTf has a distorted square pyramidal geometry. The oxidation potential of the flavonolate ligand depends on the metal ion present and/or the solution structure of the complex, with the Mn(II) complex 1-OTf exhibiting the lowest potential, followed by the pseudo-octahedral Ni(II) and Zn(II) 3-Hfl complexes, and the distorted square pyramidal Cu(II) complex 4-OTf. The Mn(II) complex [(6-Ph(2)TPA)Mn(3-Hfl)]OTf (1-OTf) is unique in the series in undergoing ligand exchange reactions in the presence of M(ClO(4))(2).6H(2)O (M = Co, Ni, Zn) in CD(3)CN to produce [(6-Ph(2)TPA)M(CD(3)CN)(n)](X)(2), [Mn(3-Hfl)(2).0.5H(2)O], and MnX(2) (X = OTf(-) or ClO(4)(-)). Under similar conditions, the 3-Hfl complexes of Co(II), Ni(II), and Cu(II) undergo flavonolate ligand exchange to produce [(6-Ph(2)TPA)M(CD(3)CN)(n)](X)(2) (M = Co, Ni, Cu; n = 1 or 2) and [Zn(3-Hfl)(2).2H(2)O]. An Fe(II) complex of 3-Hfl, [(6-Ph(2)TPA)Fe(3-Hfl)]ClO(4) (8), was isolated and characterized by elemental analysis, FTIR, UV-vis, (1)H NMR, cyclic voltammetry, and a magnetic moment measurement. This complex reacts with O(2) to produce the diiron(III) mu-oxo compound [(6-Ph(2)TPAFe(3Hfl))(2)(mu-O)](ClO(4))(2) (6).

Characteristics of the Effective Online Teaching Faculty: Perspectives of Online University Administrators

ERIC Educational Resources Information Center

Samora, Dina Lee

2013-01-01

The purpose of this explorative qualitative case study was to identify the characteristics online administrators reveal as existing in their most effective, and ineffective online teaching faculty (OTF). By identifying the characteristics of effective OTF, online administrators can develop practices to reduce and avoid the negative effects…

Bovine Tuberculosis in Europe From the Perspective of an OTF Country: Trade, Surveillance and Diagnostics

USDA-ARS?s Scientific Manuscript database

Switzerland is officially free of bovine tuberculosis (OTF) since 1960. A mandatory eradication program had been launched in 1950, herd prevalence at that time accounted for 25%. Since 1980 the control of bovine tuberculosis (bTB) has been reduced to passive abattoir surveillance. Single cases of bT...

Production of Jet Fuel-Range Hydrocarbons from Hydrodeoxygenation of Lignin over Super Lewis Acid Combined with Metal Catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Hongliang; Wang, Huamin; Kuhn, Eric

Super Lewis acids containing the triflate anion (e.g. Hf(OTf)4, Ln(OTf)3, Al(OTf)3) and noble metal catalysts (e.g. Ru/C, Ru/Al2O3) formed efficient catalytic systems to generate saturated hydrocarbons from lignin in high yields. In such catalytic systems, the metal triflates mediated rapid ether bond cleavage via selective bonding to etheric oxygens while the noble metal catalysed subsequent hydrodeoxygenation (HDO) reactions. Near theoretical yields of hydrocarbons were produced from lignin model compounds by the combined catalysis of Hf(OTf)4 and ruthenium-based catalysts. When a technical lignin derived from a pilot-scale biorefinery was used, more than 30 wt% of the hydrocarbons produced with this catalyticmore » system were cyclohexane and alkylcyclohexanes in the jet fuel range. Super Lewis acids are postulated to strongly interact with lignin substrates via protonating hydroxyls and ether linkages, forming intermediate species that enhance hydrogenation catalysis by supported noble metal catalysts. Meanwhile, the hydrogenation of aromatic rings by the noble metal catalysts can promote oxygenation reactions catalysed by super Lewis acids.« less

Pixel level optical-transfer-function design based on the surface-wave-interferometry aperture

PubMed Central

Zheng, Guoan; Wang, Yingmin; Yang, Changhuei

2010-01-01

The design of optical transfer function (OTF) is of significant importance for optical information processing in various imaging and vision systems. Typically, OTF design relies on sophisticated bulk optical arrangement in the light path of the optical systems. In this letter, we demonstrate a surface-wave-interferometry aperture (SWIA) that can be directly incorporated onto optical sensors to accomplish OTF design on the pixel level. The whole aperture design is based on the bull’s eye structure. It composes of a central hole (diameter of 300 nm) and periodic groove (period of 560 nm) on a 340 nm thick gold layer. We show, with both simulation and experiment, that different types of optical transfer functions (notch, highpass and lowpass filter) can be achieved by manipulating the interference between the direct transmission of the central hole and the surface wave (SW) component induced from the periodic groove. Pixel level OTF design provides a low-cost, ultra robust, highly compact method for numerous applications such as optofluidic microscopy, wavefront detection, darkfield imaging, and computational photography. PMID:20721038

Factors that control catalytic two- versus four-electron reduction of dioxygen by copper complexes.

PubMed

Fukuzumi, Shunichi; Tahsini, Laleh; Lee, Yong-Min; Ohkubo, Kei; Nam, Wonwoo; Karlin, Kenneth D

2012-04-25

The selective two-electron reduction of O(2) by one-electron reductants such as decamethylferrocene (Fc*) and octamethylferrocene (Me(8)Fc) is efficiently catalyzed by a binuclear Cu(II) complex [Cu(II)(2)(LO)(OH)](2+) (D1) {LO is a binucleating ligand with copper-bridging phenolate moiety} in the presence of trifluoroacetic acid (HOTF) in acetone. The protonation of the hydroxide group of [Cu(II)(2)(LO)(OH)](2+) with HOTF to produce [Cu(II)(2)(LO)(OTF)](2+) (D1-OTF) makes it possible for this to be reduced by 2 equiv of Fc* via a two-step electron-transfer sequence. Reactions of the fully reduced complex [Cu(I)(2)(LO)](+) (D3) with O(2) in the presence of HOTF led to the low-temperature detection of the absorption spectra due to the peroxo complex [Cu(II)(2)(LO)(OO)] (D) and the protonated hydroperoxo complex [Cu(II)(2)(LO)(OOH)](2+) (D4). No further Fc* reduction of D4 occurs, and it is instead further protonated by HOTF to yield H(2)O(2) accompanied by regeneration of [Cu(II)(2)(LO)(OTF)](2+) (D1-OTF), thus completing the catalytic cycle for the two-electron reduction of O(2) by Fc*. Kinetic studies on the formation of Fc*(+) under catalytic conditions as well as for separate examination of the electron transfer from Fc* to D1-OTF reveal there are two important reaction pathways operating. One is a rate-determining second reduction of D1-OTF, thus electron transfer from Fc* to a mixed-valent intermediate [Cu(II)Cu(I)(LO)](2+) (D2), which leads to [Cu(I)(2)(LO)](+) that is coupled with O(2) binding to produce [Cu(II)(2)(LO)(OO)](+) (D). The other involves direct reaction of O(2) with the mixed-valent compound D2 followed by rapid Fc* reduction of a putative superoxo-dicopper(II) species thus formed, producing D.

Gasification of empty fruit bunch with carbon dioxide in an entrained flow gasifier for syngas production

NASA Astrophysics Data System (ADS)

Rahmat, N. F. H.; Rasid, R. A.

2017-06-01

The main objectives of this work are to study the gasification of EFB in an atmospheric entrained flow gasifier, using carbon dioxide (CO2) as its gasifying agent and to determine the optimum gasification operating conditions, which includes temperature and the oxidant to fuel (OTF) ratio. These were evaluated in terms of important gasification parameters such as the concentration of hydrogen (H2) and carbon monoxide (CO) produced the syngas ratio H2/CO and carbon conversion. The gasification reactions take place in the presence of CO2 at very high reaction rate because of the high operating temperature (700°C - 900°C). The use of CO2 as the oxidant for gasification process can improve the composition of syngas produced as in the Boudouard reaction. Rise of reaction temperature which is 900°C will increase the concentration of both H2 & CO by up to 81 and 30 respectively, though their production were decreased after the OTF ratio of 0.6 for temperature 700°C & 800°C and OTF ratio 0.8 for temperature 750°C. The operating temperature must be higher than 850°C to ensure the Boudouard reaction become the more prominent reaction for the biomass gasification. The syngas ratio obtained was in the range of ≈ 0.6 - 2.4 which is sufficient for liquid fuel synthesis. For the carbon conversion, the highest fuel conversion recorded at temperature 850°C for all OTF ratios. As the OTF ratio increases, it was found that there was an increase in the formation of CO and H2. This suggests that to achieve higher carbon conversion, high operating temperature and OTF ratio are preferable. This study provides information on the optimum operating conditions for the gasification of biomass, especially the EFB, hence may upsurge the utilization of biomass waste as an energy source.

Performance of a commercial Chicken-Ovo-transferrin-ELISA on the serum of brown layer chickens infected with Gallibacterium anatis and Streptococcus zooepidemicus.

PubMed

Roy, Krisna; Kjelgaard-Hansen, Mads; Pors, Susanne Elisabeth; Christensen, Jens Peter; Biswas, Paritosh Kumar; Bojesen, Anders Miki

2014-01-01

To evaluate Ovo-transferrin (OTF), a positive acute-phase protein in chickens, as a diagnostic biomarker of selected bacterial infections we checked the performance of a commercial Chicken-OTF-ELISA (ICL, Inc., Portland, OR, USA) by analytical and overlap performances using two groups of serum samples obtained from 26 Gallibacterium anatis-infected and 20 Streptococcus zooepidemicus-infected brown layer chickens. In addition, sera from 14 apparently healthy and 19 negative control chickens were analysed in the Gallibacterium group whereas sera from 20 healthy and 11 negative control chickens from the Streptococcus group were analysed. All calibration curves revealed high coefficients of determination (≥ 0.97) between optical density (OD 450nm) and concentrations of OTF (mg/ml). OTF concentrations in high, medium and low pools (made of sera from a combination of infected and/or non-infected birds) were >6.4, >3.8 to <4.5 and <1.6 mg/ml in the Gallibacterium group, and >6.7, >3.5 to <3.7 and <1.1 mg/ml in the Streptococcus group, respectively. For each pool, low coefficients of intra-assay (7.8, 5.7 and 5.3) and inter-assay (15.8, 18.0 and 18.0) variations were obtained in the Gallibacterium study. In the Streptococcus study only the intra-assay variation was low (3.7, 3.8 and 6.2, respectively). The linearity check was acceptable demonstrating a straight line with slope and intercept, not deviating from one and zero, respectively, using the Gallibacterium sera, whereas the Streptococcus sera deviated from the linear line. Detection limits were low (Gallibacterium, 0.01 mg/ml; Streptococcus, 0.32 mg/ml). OTF concentrations (mean ± standard error of the mean) in overlap performances were elevated in the sera of infected chickens (Gallibacterium, 4.4 ± 0.3 mg/ml; Streptococcus, 3.2 ± 0.4 mg/ml) compared with negative controls (1.7 ± 0.1 mg/ml) (P < 0.05). In conclusion, the Chicken-OTF-ELISA can be used to measure reproducible serum OTF concentrations in brown layer chickens as a response to G. anatis infections, whereas an adjustment of dilution process is proposed to optimize to use in S. zooepidemicus-infected chickens.

Aperture shape dependencies in extended depth of focus for imaging camera by wavefront coding

NASA Astrophysics Data System (ADS)

Sakita, Koichi; Ohta, Mitsuhiko; Shimano, Takeshi; Sakemoto, Akito

2015-02-01

Optical transfer functions (OTFs) on various directional spatial frequency axes for cubic phase mask (CPM) with circular and square apertures are investigated. Although OTF has no zero points, it has a very close value to zero for a circular aperture at low frequencies on diagonal axis, which results in degradation of restored images. The reason for close-to-zero value in OTF is also analyzed in connection with point spread function profiles using Fourier slice theorem. To avoid close-to-zero condition, square aperture with CPM is indispensable in WFC. We optimized cubic coefficient α of CPM and coefficients of digital filter, and succeeded to get excellent de-blurred images at large depth of field.

Adaptive imaging through far-field turbulence

NASA Astrophysics Data System (ADS)

Troxel, Steven E.; Welsh, Byron M.; Roggemann, Michael C.

1993-11-01

This paper presents a new method for calculating the field angle dependent average OTF of an adaptive optic system and compares this method to calculations based on geometric optics. Geometric optics calculations are shown to be inaccurate due to the diffraction effects created by far-field turbulence and the approximations made in the atmospheric parameters. Our analysis includes diffraction effects and properly accounts for the effect of the atmospheric turbulence scale sizes. We show that for any atmospheric C(superscript 2)(subscript n) profile, the actual OTF is always better than the OTF calculated using geometric optics. The magnitude of the difference between the calculation methods is shown to be dependent on the amount of far- field turbulence and the values of the outer scale dimension.

The chemistry of (ring)Ru sup 2+ (ring = tetramethylthiophene, p-cymene)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganja, E.A.; Rauchfuss, T.B.; Stern, C.L.

1991-01-01

Described are the compounds ((ring)Ru(OTf){sub 2}){sub x}, where ring = 2,3,4,5-tetramethylthiophene (TMT, 1), and p-cymene (2). These electrophilic reagents serve as precursors to ((ring)RuL{sub 3}){sup 2+}, where L{sub 3} = (H{sub 2}O){sub 3}, (NH{sub 3}){sub 3}, and (PH{sub 3}){sub 3}. Solutions of 1 and 2 react with carbon monoxide to give (ring)Ru(CO)(OTf){sub 2}. The addition of thiophenes to CH{sub 2}Cl{sub 2} solutions of 1 or 2 leads to the precipitation of the sandwich compounds ((ring)(SC{sub 4}R{sub 4})Ru)(OTf){sub 2}, where SC{sub 4}R{sub 4} = thiophene, 2,5-dimethylthiophene, and TMT. ((TMT)Ru(H{sub 2}O){sub 3})(OTf){sub 2} was characterized by single-crystal X-ray crystallography, which established amore » piano-stool geometry with a planar TMT ligand. ((TMT)Ru(D{sub 2}O){sub 3})(OTf){sub 2} decomposes in D{sub 2}O solution at 150C to give ((TMT){sub 2}Ru){sup 2+}, which undergoes selective deuteration at the 2,5-methyl groups. D{sub 2}O solutions of ((TMT){sub 2}Ru){sup 2+} undergo photochemical loss of one TMT ligand in water to give ((TMT)Ru(H{sub 2}O){sub 3}){sup 2+}. A procedure is described for the reversible loading of 1 onto {gamma}-alumina, which in turn was characterized by {sup 13}C CP-MAS NMR spectroscopy.« less

Lewis Acid Catalyzed Conversion of 5-Hydroxymethylfurfural to 1,2,4-Benzenetriol, an Overlooked Biobased Compound

PubMed Central

2018-01-01

5-Hydroxymethylfurfural (HMF) is a platform chemical that can be produced from renewable carbohydrate sources. HMF can be converted to 1,2,4-benzenetriol (BTO) which after catalytic hydrodeoxygenation provides a route to cyclohexanone and cyclohexanol. This mixture, known as KA oil, is an important feedstock for polymeric products such as nylons which use benzene as feedstock that is obtained from the BTX fraction produced in oil refineries. Therefore, the conversion of HMF to BTO provides a renewable, alternative route toward products such as nylons. However, BTO is usually considered an undesired byproduct in HMF synthesis and is only obtained in small amounts. Here, we show that Lewis acid catalysts can be utilized for the selective conversion of HMF to BTO in subsuper critical water. Overall, up to 54 mol % yield of BTO was achieved at 89% HMF conversion using ZnCl2. ZnCl2 and similarly effective Zn(OTf)2 and Fe(OTf)2 are known as relatively soft Lewis acids. Other Lewis acid like Hf(OTf)4 and Sc(OTf)3 gave increased selectivity toward levulinic acid (up to 33 mol %) instead of BTO, a well-known HMF derivative typically obtained by acid catalysis. Catalytic hydrodeoxygenation of BTO toward cyclohexanone in water was achieved in up to 45% yield using 5 wt % Pd on Al2O3 combined with AlCl3 or Al(OTf)3 as catalysts. Additionally, a mild selective oxygen induced dimerization pathway of BTO to 2,2′,4,4′,5,5′-hexahydroxybiphenyl (5,5′-BTO dimer) was identified. PMID:29607267

Lewis Acid Catalyzed Conversion of 5-Hydroxymethylfurfural to 1,2,4-Benzenetriol, an Overlooked Biobased Compound.

PubMed

Kumalaputri, Angela J; Randolph, Caelan; Otten, Edwin; Heeres, Hero J; Deuss, Peter J

2018-03-05

5-Hydroxymethylfurfural (HMF) is a platform chemical that can be produced from renewable carbohydrate sources. HMF can be converted to 1,2,4-benzenetriol (BTO) which after catalytic hydrodeoxygenation provides a route to cyclohexanone and cyclohexanol. This mixture, known as KA oil, is an important feedstock for polymeric products such as nylons which use benzene as feedstock that is obtained from the BTX fraction produced in oil refineries. Therefore, the conversion of HMF to BTO provides a renewable, alternative route toward products such as nylons. However, BTO is usually considered an undesired byproduct in HMF synthesis and is only obtained in small amounts. Here, we show that Lewis acid catalysts can be utilized for the selective conversion of HMF to BTO in subsuper critical water. Overall, up to 54 mol % yield of BTO was achieved at 89% HMF conversion using ZnCl 2 . ZnCl 2 and similarly effective Zn(OTf) 2 and Fe(OTf) 2 are known as relatively soft Lewis acids. Other Lewis acid like Hf(OTf) 4 and Sc(OTf) 3 gave increased selectivity toward levulinic acid (up to 33 mol %) instead of BTO, a well-known HMF derivative typically obtained by acid catalysis. Catalytic hydrodeoxygenation of BTO toward cyclohexanone in water was achieved in up to 45% yield using 5 wt % Pd on Al 2 O 3 combined with AlCl 3 or Al(OTf) 3 as catalysts. Additionally, a mild selective oxygen induced dimerization pathway of BTO to 2,2',4,4',5,5'-hexahydroxybiphenyl (5,5'-BTO dimer) was identified.

Quickbird Satellite in-orbit Modulation Transfer Function (MTF) Measurement Using Edge, Pulse and Impulse Methods for Summer 2003

NASA Technical Reports Server (NTRS)

Helder, Dennis; Choi, Taeyoung; Rangaswamy, Manjunath

2005-01-01

The spatial characteristics of an imaging system cannot be expressed by a single number or simple statement. However, the Modulation Transfer Function (MTF) is one approach to measure the spatial quality of an imaging system. Basically, MTF is the normalized spatial frequency response of an imaging system. The frequency response of the system can be evaluated by applying an impulse input. The resulting impulse response is termed the Point Spread function (PSF). This function is a measure of the amount of blurring present in the imaging system and is itself a useful measure of spatial quality. An underlying assumption is that the imaging system is linear and shift-independent. The Fourier transform of the PSF is called the Optical Transfer Function (OTF) and the normalized magnitude of the OTF is the MTF. In addition to using an impulse input, a knife-edge in technique has also been used in this project. The sharp edge exercises an imaging system at all spatial frequencies. The profile of an edge response from an imaging system is called an Edge Spread Function (ESF). Differentiation of the ESF results in a one-dimensional version of the Point Spread Function (PSF). Finally, MTF can be calculated through use of Fourier transform of the PSF as stated previously. Every image includes noise in some degree which makes MTF of PSF estimation more difficult. To avoid the noise effects, many MTF estimation approaches use smooth numerical models. Historically, Gaussian models and Fermi functions were applied to reduce the random noise in the output profiles. The pulse-input method was used to measure the MTF of the Landsat Thematic Mapper (TM) using 8th order even functions over the San Mateo Bridge in San Francisco, California. Because the bridge width was smaller than the 30-meter ground sample distance (GSD) of the TM, the Nyquist frequency was located before the first zero-crossing point of the sinc function from the Fourier transformation of the bridge pulse. To avoid the zero-crossing points in the frequency domain from a pulse, the pulse width should be less than the width of two pixels (or 2 GSD's), but the short extent of the pulse results in a poor signal-to-noise ratio. Similarly, for a high-resolution satellite imaging system such as Quickbird, the input pulse width was critical because of the zero crossing points and noise present in the background area. It is important, therefore, that the width of the input pulse be appropriately sized. Finally, the MTF was calculated by taking ratio between Fourier transform of output and Fourier transform of input. Regardless of whether the edge, pulse and impulse target method is used, the orientation of the targets is critical in order to obtain uniformly spaced sub-pixel data points. When the orientation is incorrect, sample data points tend to be located in clusters that result in poor reconstruction of the edge or pulse profiles. Thus, a compromise orientation must be selected so that all spectral bands can be accommodated. This report continues by outlining the objectives in Section 2, procedures followed in Section 3, descriptions of the field campaigns in Section 4, results in Section 5, and a brief summary in Section 6.

Self-assembled containers based on extended tetrathiafulvalene.

PubMed

Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Dron, Paul I; Allain, Magali; Sallé, Marc

2013-07-10

Two original self-assembled containers constituted each by six electroactive subunits are described. They are synthesized from a concave tetratopic π-extended tetrathiafulvalene ligand bearing four pyridyl units and cis-M(dppf)(OTf)2 (M = Pd or Pt; dppf = 1,1'-bis(diphenylphosphino)ferrocene; OTf = trifluoromethane-sulfonate) complexes. Both fully characterized assemblies present an oblate spheroidal cavity that can incorporate one perylene molecule.

Build-up enhancement of photoluminescence from phenylazomethine bismuth dendrimer using Bi(OTf)3

NASA Astrophysics Data System (ADS)

Kambe, Tetsuya; Imaoka, Shotaro; Imaoka, Takane; Yamamoto, Kimihisa

2018-05-01

Metal assembly to a dendrimer can provide various functionalities based on the branched structure. Here, we researched assembly phenomena of bismuth salts in the phenylazomethine dendrimer and achieved enhancement of emission intensity per metal unit by using Bi(OTf)3. This enhancement suggested increasing of Bi-N coordination bonds derived from the bismuth units in the dendrimer.

Indium Triflate Catalyzed Peracetylation of Carbohydrates

PubMed Central

Bizier, Nicholas P.; Atkins, Shannon R.; Helland, Luke C.; Colvin, Shane F.; Twitchell, Joseph R.; Cloninger, Mary J.

2008-01-01

Peracetylation is a very common protection strategy that is widely implemented in carbohydrate synthesis. Here, a method for peracetylation of carbohydrates using catalytic In(OTf)3 in neat acetic anhydride is reported. In(OTf)3 has low toxicity and is mild and water tolerant, and the reactions are high yielding and efficient. Details regarding the scope and mechanism of the reaction are briefly discussed. PMID:18440500

Catalytic asymmetric Meerwein-Ponndorf-Verley reduction of glyoxylates induced by a chiral N,N'-dioxide/Y(OTf)3 complex.

PubMed

Wu, Wangbin; Zou, Sijia; Lin, Lili; Ji, Jie; Zhang, Yuheng; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming

2017-03-18

An asymmetric Meerwein-Ponndorf-Verley (MPV) reduction of glyoxylates was for the first time accomplished via an N,N'-dioxide/Y(OTf) 3 complex with aluminium alkoxide and molecular sieves (MSs) as crucial additives. A variety of optically active α-hydroxyesters were obtained with excellent results. A possible reaction mechanism was proposed based on the experiments.

Effect of Polymer Binders on UV-Responsive Organic Thin-Film Phototransistors with Benzothienobenzothiophene Semiconductor.

PubMed

Ljubic, Darko; Smithson, Chad S; Wu, Yiliang; Zhu, Shiping

2016-02-17

The influence of polymer binders on the UV response of organic thin-film phototransistors (OTF-PTs) is reported. The active channel of the OTF-PTs was fabricated by blending a UV responsive 2,7-dipenty-[1]benzothieno[2,3-b][1]benzothiophene (C5-BTBT) as small molecule semiconductor and a branched unsaturated polyester (B-upe) as dielectric binder (ratio 1:1). To understand the influence of the polymer composition on the photoelectrical properties and UV response of C5-BTBT, control blends were prepared using common dielectric polymers, namely, poly(vinyl acetate) (PVAc), polycarbonate (PC), and polystyrene (PS), for comparison. Thin-film morphology and nanostructure of the C5-BTBT/polymer blends were investigated by means of optical and atomic force microscopy, and powder X-ray diffraction, respectively. Electrical and photoelectrical characteristics of the studied OTF-PTs were evaluated in the dark and under UV illumination with a constant light intensity (P = 3 mW cm(-2), λ = 365 nm), respectively, using two- and three-terminal I-V measurements. Results revealed that the purposely chosen B-upe polymer binder strongly affected the UV response of OTF-PTs. A photocurrent increase of more than 5 orders of magnitude in the subthreshold region was observed with a responsivity as high as 9.7 AW(-1), at VG = 0 V. The photocurrent increase and dramatic shift of VTh,average (∼86 V) were justified by the high number of photogenerated charge carriers upon the high trap density in bulk 8.0 × 10(12) cm(-2) eV(-1) generated by highly dispersed C5-BTBT in B-upe binder. Compared with other devices, the B-upe OTF-PTs had the fastest UV response times (τr1/τr2 = 0.5/6.0) reaching the highest saturated photocurrent (>10(6)), at VG = -5 V and VSD = -60 V. The enhanced UV sensing properties of B-upe based OTF-PTs were attributed to a self-induced thin-film morphology. The enlarged interface facilitated the electron withdrawing/donating functional groups in the polymer chains in influencing the photocharge separation, trapping and recombination.

Stereo-, Temporal and Chemical Control through Photoactivation of Living Radical Polymerization: Synthesis of Block and Gradient Copolymers.

PubMed

Shanmugam, Sivaprakash; Boyer, Cyrille

2015-08-12

Nature has developed efficient polymerization processes, which allow the synthesis of complex macromolecules with a perfect control of tacticity as well as molecular weight, in response to a specific stimulus. In this contribution, we report the synthesis of various stereopolymers by combining a photoactivated living polymerization, named photoinduced electron transfer-reversible addition-fragmentation chain transfer (PET-RAFT) with Lewis acid mediators. We initially investigated the tolerance of two different photoredox catalysts, i.e., Ir(ppy)3 and Ru(bpy)3, in the presence of a Lewis acid, i.e., Y(OTf)3 and Yb(OTf)3, to mediate the polymerization of N,N-dimethyl acrylamide (DMAA). An excellent control of tacticity as well as molecular weight and dispersity was observed when Ir(ppy)3 and Y(OTf)3 were employed in a methanol/toluene mixture, while no polymerization or poor control was observed with Ru(bpy)3. In comparison to a thermal system, a lower amount of Y(OTf)3 was required to achieve good control over the tacticity. Taking advantage of the temporal control inherent in our system, we were able to design complex macromolecular architectures, such as atactic block-isotactic and isotactic-block-atactic polymers in a one-pot polymerization approach. Furthermore, we discovered that we could modulate the degree of tacticity through a chemical stimulus, by varying [DMSO]0/[Y(OTf)3]0 ratio from 0 to 30 during the polymerization. The stereochemical control afforded by the addition of a low amount of DMSO in conjunction with the inherent temporal control enabled the synthesis of stereogradient polymer consisting of five different stereoblocks in one-pot polymerization.

Efficient synthesis of isochromanones and isoquinolines via Yb(OTf)3-catalyzed tandem oxirane/aziridine ring opening/Friedel-Crafts cyclization.

PubMed

Wei, Lai; Zhang, Junliang

2012-03-07

The first example of Yb(OTf)(3)-catalyzed tandem ring opening/Friedel-Crafts cyclization of oxiranyl and aziridinyl ketones via selective C-C bond cleavage under mild conditions was developed. Isochromanones and isoquinolines are formed in reasonable yields, which often serve as building blocks for complex chemical synthesis. This journal is © The Royal Society of Chemistry 2012

An introduction to fast dissolving oral thin film drug delivery systems: a review.

PubMed

Kathpalia, Harsha; Gupte, Aasavari

2013-12-01

Many pharmaceutical companies are switching their products from tablets to fast dissolving oral thin films (OTFs). Films have all the advantages of tablets (precise dosage, easy administration) and those of liquid dosage forms (easy swallowing, rapid bioavailability). Statistics have shown that four out of five patients prefer orally disintegrating dosage forms over conventional solid oral dosages forms. Pediatric, geriatric, bedridden, emetic patients and those with Central Nervous System disorders, have difficulty in swallowing or chewing solid dosage forms. Many of these patients are non-compliant in administering solid dosage forms due to fear of choking. OTFs when placed on the tip or the floor of the tongue are instantly wet by saliva. As a result, OTFs rapidly hydrate and then disintegrate and/or dissolve to release the medication for local and/or systemic absorption. This technology provides a good platform for patent non- infringing product development and for increasing the patent life-cycle of the existing products. The application of fast dissolving oral thin films is not only limited to buccal fast dissolving system, but also expands to other applications like gastroretentive, sublingual delivery systems. This review highlights the composition including the details of various types of polymers both natural and synthetic, the different types of manufacturing techniques, packaging materials and evaluation tests for the OTFs.

Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o-Aminophenolate, and o-Phenylenediamine Ligands

PubMed Central

2015-01-01

This study describes the O2 reactivity of a series of high-spin mononuclear Fe(II) complexes each containing the facially coordinating tris(4,5-diphenyl-1-methylimidazol-2-yl)phosphine (Ph2TIP) ligand and one of the following bidentate, redox-active ligands: 4-tert-butylcatecholate (tBuCatH–), 4,6-di-tert-butyl-2-aminophenolate (tBu2APH–), or 4-tert-butyl-1,2-phenylenediamine (tBuPDA). The preparation and X-ray structural characterization of [Fe2+(Ph2TIP)(tBuCatH)]OTf, [3]OTf and [Fe2+(Ph2TIP)(tBuPDA)](OTf)2, [4](OTf)2 are described here, whereas [Fe2+(Ph2TIP)(tBu2APH)]OTf, [2]OTf was reported in our previous paper [Bittner et al., Chem.—Eur. J.2013,19, 9686–9698]. These complexes mimic the substrate-bound active sites of nonheme iron dioxygenases, which catalyze the oxidative ring-cleavage of aromatic substrates like catechols and aminophenols. Each complex is oxidized in the presence of O2, and the geometric and electronic structures of the resulting complexes were examined with spectroscopic (absorption, EPR, Mössbauer, resonance Raman) and density functional theory (DFT) methods. Complex [3]OTf reacts rapidly with O2 to yield the ferric-catecholate species [Fe3+(Ph2TIP)(tBuCat)]+ (3ox), which undergoes further oxidation to generate an extradiol cleavage product. In contrast, complex [4]2+ experiences a two-electron (2e–), ligand-based oxidation to give [Fe2+(Ph2TIP)(tBuDIBQ)]2+ (4ox), where DIBQ is o-diiminobenzoquinone. The reaction of [2]+ with O2 is also a 2e– process, yet in this case both the Fe center and tBu2AP ligand are oxidized; the resulting complex (2ox) is best described as [Fe3+(Ph2TIP)(tBu2ISQ)]+, where ISQ is o-iminobenzosemiquinone. Thus, the oxidized complexes display a remarkable continuum of electronic structures ranging from [Fe3+(L2–)]+ (3ox) to [Fe3+(L•–)]2+ (2ox) to [Fe2+(L0)]2+ (4ox). Notably, the O2 reaction rates vary by a factor of 105 across the series, following the order [3]+ > [2]+ > [4]2+, even though the complexes have similar structures and Fe3+/2+ redox potentials. To account for the kinetic data, we examined the relative abilities of the title complexes to bind O2 and participate in H-atom transfer reactions. We conclude that the trend in O2 reactivity can be rationalized by accounting for the role of proton transfer(s) in the overall reaction. PMID:24697567

Global rates of mantle serpentinization and H2 release at oceanic transform faults

NASA Astrophysics Data System (ADS)

Ruepke, Lars; Hasenclever, Joerg

2017-04-01

The cycling of seawater through the ocean floor is the dominant mechanism of biogeochemical exchange between the solid earth and the global ocean. Crustal fluid flow appears to be typically associated with major seafloor structures, and oceanic transform faults (OTF) are one of the most striking yet poorly understood features of the global mid-ocean ridge systems. Fracture zones and transform faults have long been hypothesized to be sites of substantial biogeochemical exchange between the solid Earth and the global ocean. This is particularly interesting with regard to the ocean biome. Deep ocean ecosystems constitute 60% of it but their role in global ocean biogeochemical cycles is much overlooked. There is growing evidence that life is supported by chemosynthesis at hydrothermal vents but also in the crust, and therefore this may be a more abundant process than previously thought. In this context, the serpentine forming interaction between seawater and cold lithospheric mantle rocks is particularly interesting as it is also a mechanism of abiotic hydrogen and methane formation. Interestingly, a quantitative global assessment of mantle serpentinization at oceanic transform faults in the context of the biogeochemical exchange between the seafloor and the global ocean is still largely missing. Here we present the results of a set of 3-D thermo-mechanical model calculations that investigate mantle serpentinization at OTFs for the entire range of globally observed slip rates and fault lengths. These visco-plastic models predict the OTF thermal structure and the location of crustal-scale brittle deformation, which is a prerequisite for mantle serpentinization to occur. The results of these simulations are integrated with information on the global distribution of OTF lengths and slip rates yielding global estimates on mantle serpentinization and associated H2 release. We find that OTFs are potentially sites of intense crustal fluid flow and are in terms of H2 release almost as important as MOR-related serpentinization.

OTFE, Payload Specialist Fred Leslie works in Spacelab

NASA Image and Video Library

1995-11-05

STS073-233-007 (20 October - 5 November 1995) --- Payload specialist Fred W. Leslie makes use of the versatile U.S. Microgravity Laboratory (USML-2) glovebox to conduct an investigation with the Oscillatory Thermocapillary Flow Experiment (OTFE). This complement of the Surface-Tension-Driven Convection Experiment (STDCE) studies the shapes that fluid surfaces in weightless environments assume within specific containers. Leslie was one of two guest researchers who joined five NASA astronauts for 16 days of on Earth-orbit research in support of USML-2.

SABRE-Relay: A Versatile Route to Hyperpolarization

PubMed Central

2018-01-01

Signal Amplification by Reversible Exchange (SABRE) is used to switch on the latent singlet spin order of para-hydrogen (p-H2) so that it can hyperpolarize a substrate (sub = nicotinamide, nicotinate, niacin, pyrimidine, and pyrazine). The substrate then reacts reversibly with [Pt(OTf)2(bis-diphenylphosphinopropane)] by displacing OTf– to form [Pt(OTf)(sub)(bis-diphenylphosphinopropane)]OTf. The 31P NMR signals of these metal complexes prove to be enhanced when the substrate possesses an accessible singlet state or long-lived Zeeman polarization. In the case of pyrazine, the corresponding 31P signal was 105 ± 8 times larger than expected, which equated to an 8 h reduction in total scan time for an equivalent signal-to-noise ratio under normal acquisition conditions. Hence, p-H2 derived spin order is successfully relayed into a second metal complex via a suitable polarization carrier (sub). When fully developed, we expect this route involving a second catalyst to successfully hyperpolarize many classes of substrates that are not amenable to the original SABRE method. PMID:29432020

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.

Heterobimetallic complexes that pair cobalt and copper were synthesized and characterized by a suite of physical methods, including X-ray diffraction, X-ray anomalous scattering, cyclic voltammetry, magnetometry, electronic absorption spectroscopy, electron paramagnetic resonance, and quantum chemical methods. Both Cu(II) and Cu(I) reagents were independently added to a Co(II) metalloligand to provide (py3tren)CoCuCl (1-Cl) and (py3tren)CoCu(CH3CN) (2-CH3CN), respectively, where py3tren is the triply deprotonated form of N,N,N-tris(2-(2-pyridylamino)ethyl)amine. Complex 2-CH3CN can lose the acetonitrile ligand to generate a coordination polymer consistent with the formula “(py3tren)CoCu” (2). One-electron chemical oxidation of 2-CH3CN with AgOTf generated (py3tren)CoCuOTf (1-OTf). The Cu(II)/Cu(I) redox couple for 1-OTf andmore » 2-CH3CN is reversible at -0.56 and -0.33 V vs Fc+/Fc, respectively. The copper oxidation state impacts the electronic structure of the heterobimetallic core, as well as the nature of the Co–Cu interaction. Quantum chemical calculations showed modest electron delocalization in the (CoCu)+4 state via a Co–Cu σ bond that is weakened by partial population of the Co–Cu σ antibonding orbital. By contrast, no covalent Co–Cu bonding is predicted for the (CoCu)+3 analogue, and the d-electrons are fully localized at individual metals.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.

Heterobimetallic complexes that pair cobalt and copper were synthesized and characterized by a suite of physical methods, including X-ray diffraction, X-ray anomalous scattering, cyclic voltammetry, magnetometry, electronic absorption spectroscopy, electron paramagnetic resonance, and quantum chemical methods. Both Cu(II) and Cu(I) reagents were independently added to a Co(II) metalloligand to provide (py 3tren)CoCuCl (1-Cl) and (py 3tren)CoCu(CH 3CN) (2-CH 3CN), respectively, where py3tren is the triply deprotonated form of N,N,N-tris(2-(2-pyridylamino)ethyl)amine. Complex 2-CH 3CN can lose the acetonitrile ligand to generate a coordination polymer consistent with the formula “(py3tren)CoCu” (2). One-electron chemical oxidation of 2-CH 3CN with AgOTf generated (py 3tren)CoCuOTf (1-OTf).more » The Cu(II)/Cu(I) redox couple for 1-OTf and 2-CH 3CN is reversible at -0.56 and -0.33 V vs Fc +/Fc, respectively. The copper oxidation state impacts the electronic structure of the heterobimetallic core, as well as the nature of the Co–Cu interaction. Quantum chemical calculations showed modest electron delocalization in the (CoCu) +4 state via a Co–Cu σ bond that is weakened by partial population of the Co–Cu σ antibonding orbital. By contrast, no covalent Co–Cu bonding is predicted for the (CoCu) +3 analogue, and the d-electrons are fully localized at individual metals.« less

Synthesis of polyketide stereoarrays enabled by a traceless oxonia-Cope rearrangement.

PubMed

Yang, Lin; He, Guoli; Yin, Ruifeng; Zhu, Lili; Wang, Xiaoxia; Hong, Ran

2014-10-20

Polyketide antibiotics bearing skipped polyols represent a synthetic challenge. A SiCl4-promoted oxonia-Cope rearrangement of syn,syn-2-vinyl-1,3-diols was developed to forge an array of 1,5-pentenediols, thus providing versatile motifs for the preparation of 1,2,3,5-stereoarrays in a highly stereoselective manner. Further exploration with Sn(OTf)2 realized the rearrangement of a cross-aldehyde which tactically warrants the utility of the current approach to access complex polyketides. The origin of high stereoselectivity is attributed to a chairlike anti-conformation of the oxonium ion intermediate. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparative investigation of N donor ligand-lanthanide complexes from the metal and ligand point of view

NASA Astrophysics Data System (ADS)

Prüßmann, T.; Denecke, M. A.; Geist, A.; Rothe, J.; Lindqvist-Reis, P.; Löble, M.; Breher, F.; Batchelor, D. R.; Apostolidis, C.; Walter, O.; Caliebe, W.; Kvashnina, K.; Jorissen, K.; Kas, J. J.; Rehr, J. J.; Vitova, T.

2013-04-01

N-donor ligands such as n-Pr-BTP (2,6-bis(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine) studied here preferentially bind An(III) over Ln(III) in liquid-liquid separation of trivalent ac-tinides from spent nuclear fuel. The chemical and physical processes responsible for this selectivity are not yet well understood. We present systematic comparative near-edge X-ray absorption structure (XANES) spectroscopy investigations at the Gd L3 edge of [GdBTP3](NO3)3, [Gd(BTP)3](OTf)3, Gd(NO3)3, Gd(OTf)3 and N K edge of [Gd(BTP)3](NO3)3, Gd(NO3)3 complexes. The pre-edge absorption resonance in Gd L3 edge high-energy resolution X-ray absorption near edge structure spectra (HR-XANES) is explained as arising from 2p3/2 → 4f/5d electronic transitions by calculations with the FEFF9.5 code. Experimental evidence is found for higher electronic density on Gd in [Gd(BTP)3](NO3)3 and [Gd(BTP)3](OTf)3 compared to Gd in Gd(NO3)3 and Gd(OTf)3, and on N in [Gd(BTP)3](NO3)3 compared to n-Pr-BTP. The origin of the pre-edge structure in the N K edge XANES is explained by density functional theory (DFT) with the ORCA code. Results at the N K edge suggest a change in ligand orbital occupancies and mixing upon complexation but further work is necessary to interpret observed spectral variations.

Reactivity of Silanes with ( tBuPONOP)Ruthenium Dichloride: Facile Synthesis of Chloro-Silyl Ruthenium Compounds and Formic Acid Decomposition

DOE PAGES

Anderson, Nickolas H.; Boncella, James M.; Tondreau, Aaron M.

2017-08-15

The coordination of tBuPONOP ( tBuPONOP=2,6-bis(ditert-butylphosphinito)pyridine) to different ruthenium starting materials, to generate ( tBuPONOP)RuCl 2, was investigated in this paper. The resultant ( tBuPONOP)RuCl 2 reactivity with three different silanes was then investigated and contrasted dramatically with the reactivity of ( iPrPONOP)RuCl 2(DMSO) ( iPrPONOP=2,6-bis(diisopropylphosphinito)pyridine) with the same silanes. The 16-electron species ( tBuPONOP)Ru(H)Cl was produced from the reaction of triethylsilane with ( tBuPONOP)RuCl 2. Reactions of ( tBuPONOP)RuCl 2 with both phenylsilane or diphenylsilane afforded the 16-electron hydrido-silyl species ( tBuPONOP)Ru(H)(PhSiCl 2) and ( tBuPONOP)Ru(H)(Ph 2SiCl), respectively. Reactions of all three of these complexes with silver triflate affordedmore » the simple salt metathesis products of ( tBuPONOP)Ru(H)(OTf), ( tBuPONOP)Ru(H)(PhSiCl(OTf)), and ( tBuPONOP)Ru(H)(Ph 2Si(OTf)). Formic acid dehydrogenation was performed in the presence of triethylamine (TEA), and each species proved competent for gas-pressure generation of CO 2 and H 2. Finally, the hydride species ( tBuPONOP)Ru(H)Cl, ( tBuPONOP)Ru(H)(OTf), and ( tBuPONOP)Ru(H)(PhSiCl 2) exhibited faster catalytic activity than the other compounds tested.« less

Dynamic structural change of the self-assembled lanthanum complex induced by lithium triflate for direct catalytic asymmetric aldol-Tishchenko reaction.

PubMed

Horiuchi, Yoshihiro; Gnanadesikan, Vijay; Ohshima, Takashi; Masu, Hyuma; Katagiri, Kosuke; Sei, Yoshihisa; Yamaguchi, Kentaro; Shibasaki, Masakatsu

2005-09-05

The development of a direct catalytic asymmetric aldol-Tishchenko reaction and the nature of its catalyst are described. An aldol-Tishchenko reaction of various propiophenone derivatives with aromatic aldehydes was promoted by [LaLi3(binol)3] (LLB), and reactivity and enantioselectivity were dramatically enhanced by the addition of lithium trifluoromethanesulfonate (LiOTf). First, we observed a dynamic structural change of LLB by the addition of LiOTf using 13C NMR spectroscopy, electronspray ionization mass spectrometry (ESI-MS), and cold-spray ionization mass spectrometry (CSI-MS). X-ray crystallography revealed that the structure of the newly generated self-assembled complex was a binuclear [La2Li4(binaphthoxide)5] complex 6. A reverse structural change of complex 6 to LLB by the addition of one equivalent of Li2(binol) was also confirmed by ESI-MS and experimental results. The drastic concentration effects on the direct catalytic asymmetric aldol-Tishchenko reaction suggested that the addition of LiOTf to LLB generated an active oligomeric catalyst species.

Implementation of Branch-Point-Tolerant Wavefront Reconstructor for Strong Turbulence Compensation

DTIC Science & Technology

2012-06-14

Strehl ratio. Strehl ratio is defined as [38] S = ∫ ∞ −∞ ∫ ∞ −∞H( fx , fy) d fx d fy∫ ∞ −∞ ∫ ∞ −∞ Hdl( fx , fy) d fx d fy , (2.36) where H( fx , fy) is the...aberrated optical transfer function (OTF) [18] and Hdl( fx , fy) is the diffraction limited OTF. Both of these OTF’s are in terms of their spatial...frequencies fx and fy. There are several approximations to this form that better suit various applications or measurement techniques [25, 38]. For this

A heterobimetallic Ga/Yb-Schiff base complex for catalytic asymmetric alpha-addition of isocyanides to aldehydes.

PubMed

Mihara, Hisashi; Xu, Yingjie; Shepherd, Nicholas E; Matsunaga, Shigeki; Shibasaki, Masakatsu

2009-06-24

Development of a new heterobimetallic Ga(O-iPr)(3)/Yb(OTf)(3)/Schiff base 2d complex for catalytic asymmetric alpha-additions of isocyanides to aldehydes is described. Schiff base 2d derived from o-vanillin was suitable to utilize cationic rare earth metal triflates with good Lewis acidity in bimetallic Schiff base catalysis. The Ga(O-iPr)(3)/Yb(OTf)(3)/Schiff base 2d complex promoted asymmetric alpha-additions of alpha-isocyanoacetamides to aryl, heteroaryl, alkenyl, and alkyl aldehydes in good to excellent enantioselectivity (88-98% ee).

Temperature-programed time-of-flight secondary ion mass spectrometry study of 1-butyl-3-methylimidazolium trifluoromethanesulfonate during glass-liquid transition, crystallization, melting, and solvation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Souda, Ryutaro; Guenster, Jens; CiC Ceramic Institute Clausthal GmbH, D-38678 Clausthal-Zellerfeld

2008-09-07

For this study, time-of-flight secondary ion mass spectrometry was used to analyze the molecular orientation of 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([bmim][OTf]) and its interaction with the adsorbed Na and LiI species at temperatures of 150-300 K. A glassy [bmim][OTf] film crystallizes at around 230 K, as observed from the increase in the [bmim]{sup +} yield. LiI and Na adsorbed on the glassy film are solvated, whereas they tend to form islands on a crystalline film. The crystalline surface inertness is ascribable to the termination with the CF{sub 3} and C{sub 4}H{sub 9} groups, whereas the exposure of polar SO{sub 3} and imidazolemore » groups at the glassy film results in the solvation. Surface layering occurs during solvation of LiI on the glassy film in such a way that the [bmim]{sup +} ([OTf]{sup -}) moiety is exposed to the vacuum (oriented to the bulk). The LiI adsorbed on the glassy film is incorporated into the bulk at temperatures higher than 200 K because of the glass-liquid transition. No further uptake of LiI is observed during crystallization, providing a contrast to the results of normal molecular solids such as water and ethanol. The surface layers of the crystal melt at temperatures below the bulk melting point, as confirmed from the dissolution of adsorbed LiI, but the melting layer retains a short-range order similar to the crystal. The [bmim][OTf] can be regarded as a strongly correlated liquid with the combined liquid property and crystal-type local structure. The origin of this behavior is discussed.« less

Selective Hydrogenolysis of Furfural Derivative 2-Methyltetrahydrofuran into Pentanediol Acetate and Pentanol Acetate over Pd/C and Sc(OTf)3 Cocatalytic System.

PubMed

Zhang, Kun; Li, Xing-Long; Chen, Shi-Yan; Xu, Hua-Jian; Deng, Jin; Fu, Yao

2018-02-22

It is of great significance to convert platform molecules and their derivatives into high value-added alcohols, which have multitudinous applications. This study concerns systematic conversion of 2-methyltetrahydrofuran (MTHF), which is obtained from furfural, into 1-pentanol acetate (PA) and 1,4-pentanediol acetate (PDA). Reaction parameters, such as the Lewis acid species, reaction temperature, and hydrogen pressure, were investigated in detail. 1 H NMR spectroscopy and reaction dynamics study were also conducted to help clarify the reaction mechanism. Results suggested that cleavage of the primary alcohol acetate was less facile than that of the secondary alcohol acetate, with the main product being PA. A PA yield of 91.8 % (150 °C, 3 MPa H 2 , 30 min) was achieved by using Pd/C and Sc(OTf) 3 as a cocatalytic system and an 82 % yield of PDA was achieved (150 °C, 30 min) by using Sc(OTf) 3 catalyst. Simultaneously, the efficient conversion of acetic esters into alcohols by simple saponification was carried out and led to a good yield. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

New Pyrazolium Salts as a Support for Ionic Liquid Crystals and Ionic Conductors.

PubMed

Pastor, María Jesús; Sánchez, Ignacio; Campo, José A; Schmidt, Rainer; Cano, Mercedes

2018-04-03

Ionic liquid crystals (ILCs) are a class of materials that combine the properties of liquid crystals (LCs) and ionic liquids (ILs). This type of materials is directed towards properties such as conductivity in ordered systems at different temperatures. In this work, we synthesize five new families of ILCs containing symmetrical and unsymmetrical substituted pyrazolium cations, with different alkyl long-chains, and anions such as Cl - , BF₄ - , ReO₄ - , p -CH₃-₆H₄SO₃ - (PTS) and CF₃SO₃ - (OTf). We study their thermal behavior by polarized light optical microscopy (POM) and differential scanning calorimetry (DSC). All of them, except those with OTf as counteranion, show thermotropic mesomorphism. The observations by POM reveal textures of lamellar mesophases. Those agree with the arrangement observed in the X-ray crystal structure of [H₂pz R(4),R(4) ][ReO₄]. The nature of the mesophases is also confirmed by variable temperature powder X-ray diffraction. On the other hand, the study of the dielectric properties at variable temperature in mesomorphic (Cl - and BF₄ - ) and non-mesomorphic (OTf) salts indicates that the supramolecular arrangement of the mesophase favors a greater ionic mobility and therefore ionic conductivity.

Image enhancement by spatial frequency post-processing of images obtained with pupil filters

NASA Astrophysics Data System (ADS)

Estévez, Irene; Escalera, Juan C.; Stefano, Quimey Pears; Iemmi, Claudio; Ledesma, Silvia; Yzuel, María J.; Campos, Juan

2016-12-01

The use of apodizing or superresolving filters improves the performance of an optical system in different frequency bands. This improvement can be seen as an increase in the OTF value compared to the OTF for the clear aperture. In this paper we propose a method to enhance the contrast of an image in both its low and its high frequencies. The method is based on the generation of a synthetic Optical Transfer Function, by multiplexing the OTFs given by the use of different non-uniform transmission filters on the pupil. We propose to capture three images, one obtained with a clear pupil, one obtained with an apodizing filter that enhances the low frequencies and another one taken with a superresolving filter that improves the high frequencies. In the Fourier domain the three spectra are combined by using smoothed passband filters, and then the inverse transform is performed. We show that we can create an enhanced image better than the image obtained with the clear aperture. To evaluate the performance of the method, bar tests (sinusoidal tests) with different frequency content are used. The results show that a contrast improvement in the high and low frequencies is obtained.

Comparison of rhenium–porphyrin dyads for CO2 photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy† †Electronic supplementary information (ESI) available: NMR spectra, cyclic voltammograms, crystallographic data, fluorescence data, spectra from photoreactions and photocatalytic data. CCDC 1406000 and 1406001. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02099a

PubMed Central

Windle, Christopher D.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.

2015-01-01

We report a study of the photocatalytic reduction of CO2 to CO by zinc porphyrins covalently linked to [ReI(2,2′-bipyridine)(CO)3L]+/0 moieties with visible light of wavelength >520 nm. Dyad 1 contains an amide C6H4NHC(O) link from porphyrin to bipyridine (Bpy), Dyad 2 contains an additional methoxybenzamide within the bridge C6H4NHC(O)C6H3(OMe)NHC(O), while Dyad 3 has a saturated bridge C6H4NHC(O)CH2; each dyad is studied with either L = Br or 3-picoline. The syntheses, spectroscopic characterisation and cyclic voltammetry of Dyad 3 Br and [Dyad 3 pic]OTf are described. The photocatalytic performance of [Dyad 3 pic]OTf in DMF/triethanolamine (5 : 1) is approximately an order of magnitude better than [Dyad 1 pic]PF6 or [Dyad 2 pic]OTf in turnover frequency and turnover number, reaching a turnover number of 360. The performance of the dyads with Re–Br units is very similar to that of the dyads with [Re–pic]+ units in spite of the adverse free energy of electron transfer. The dyads undergo reactions during photocatalysis: hydrogenation of the porphyrin to form chlorin and isobacteriochlorin units is detected by visible absorption spectroscopy, while IR spectroscopy reveals replacement of the axial ligand by a triethanolaminato group and insertion of CO2 into the latter to form a carbonate. Time-resolved IR spectra of [Dyad 2 pic]OTf and [Dyad 3 pic]OTf (560 nm excitation in CH2Cl2) demonstrated electron transfer from porphyrin to Re(Bpy) units resulting in a shift of ν(CO) bands to low wavenumbers. The rise time of the charge-separated species for [Dyad 3 pic]OTf is longest at 8 (±1) ps and its lifetime is also the longest at 320 (±15) ps. The TRIR spectra of Dyad 1 Br and Dyad 2 Br are quite different showing a mixture of 3MLCT, IL and charge-separated excited states. In the case of Dyad 3 Br, the charge-separated state is absent altogether. The TRIR spectra emphasize the very different excited states of the bromide complexes and the picoline complexes. Thus, the similarity of the photocatalytic data for bromide and picoline dyads suggests that they share common intermediates. Most likely, these involve hydrogenation of the porphyrin and substitution of the axial ligand at rhenium. PMID:29861927

James Webb Space Telescope segment phasing using differential optical transfer functions

PubMed Central

Codona, Johanan L.; Doble, Nathan

2015-01-01

Differential optical transfer function (dOTF) is an image-based, noniterative wavefront sensing method that uses two star images with a single small change in the pupil. We describe two possible methods for introducing the required pupil modification to the James Webb Space Telescope, one using a small (<λ/4) displacement of a single segment's actuator and another that uses small misalignments of the NIRCam's filter wheel. While both methods should work with NIRCam, the actuator method will allow both MIRI and NIRISS to be used for segment phasing, which is a new functionality. Since the actuator method requires only small displacements, it should provide a fast and safe phasing alternative that reduces the mission risk and can be performed frequently for alignment monitoring and maintenance. Since a single actuator modification can be seen by all three cameras, it should be possible to calibrate the non-common-path aberrations between them. Large segment discontinuities can be measured using dOTFs in two filter bands. Using two images of a star field, aberrations along multiple lines of sight through the telescope can be measured simultaneously. Also, since dOTF gives the pupil field amplitude as well as the phase, it could provide a first approximation or constraint to the planned iterative phase retrieval algorithms. PMID:27042684

Mono- and tri-ester hydrogenolysis using tandem catalysis. Scope and mechanism.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lohr, Tracy L.; Li, Zhi; Assary, Rajeev S.

The scope and mechanism of thermodynamically leveraged ester RC(O)O-R' bond hydrogenolysis by tandem metal triflate + supported Pd catalysts are investigated both experimentally and theoretically by DFT and energy span analysis. This catalytic system has a broad scope, with relative cleavage rates scaling as, tertiary 4 secondary 4 primary ester at 1 bar H-2, yielding alkanes and carboxylic acids with high conversion and selectivity. Benzylic and allylic esters display the highest activity. The rate law is nu = k[M(OTf )(n)](1)[ester](0)[H-2](0) with an H/D kinetic isotope effect = 6.5 +/- 0.5, implying turnover-limiting C-H scission following C-O cleavage, in agreement withmore » theory. Intermediate alkene products are then rapidly hydrogenated. Applying this approach with the very active Hf(OTf)(4) catalyst to bio-derived triglycerides affords near-quantitative yields of C-3 hydrocarbons rather than glycerol. From model substrates, it is found that RC(O)O-R' cleavage rates are very sensitive to steric congestion and metal triflate identity. For triglycerides, primary/external glyceryl CH2-O cleavage predominates over secondary/internal CH-O cleavage, with the latter favored by less acidic or smaller ionic radius metal triflates, raising the diester selectivity to as high as 48% with Ce(OTf)(3).« less

New Pyrazolium Salts as a Support for Ionic Liquid Crystals and Ionic Conductors

PubMed Central

Pastor, María Jesús; Sánchez, Ignacio; Schmidt, Rainer; Cano, Mercedes

2018-01-01

Ionic liquid crystals (ILCs) are a class of materials that combine the properties of liquid crystals (LCs) and ionic liquids (ILs). This type of materials is directed towards properties such as conductivity in ordered systems at different temperatures. In this work, we synthesize five new families of ILCs containing symmetrical and unsymmetrical substituted pyrazolium cations, with different alkyl long-chains, and anions such as Cl−, BF4−, ReO4−, p-CH3-6H4SO3− (PTS) and CF3SO3− (OTf). We study their thermal behavior by polarized light optical microscopy (POM) and differential scanning calorimetry (DSC). All of them, except those with OTf as counteranion, show thermotropic mesomorphism. The observations by POM reveal textures of lamellar mesophases. Those agree with the arrangement observed in the X-ray crystal structure of [H2pzR(4),R(4)][ReO4]. The nature of the mesophases is also confirmed by variable temperature powder X-ray diffraction. On the other hand, the study of the dielectric properties at variable temperature in mesomorphic (Cl− and BF4−) and non-mesomorphic (OTf) salts indicates that the supramolecular arrangement of the mesophase favors a greater ionic mobility and therefore ionic conductivity. PMID:29614030

On-the-fly Locata/inertial navigation system integration for precise maritime application

NASA Astrophysics Data System (ADS)

Jiang, Wei; Li, Yong; Rizos, Chris

2013-10-01

The application of Global Navigation Satellite System (GNSS) technology has meant that marine navigators have greater access to a more consistent and accurate positioning capability than ever before. However, GNSS may not be able to meet all emerging navigation performance requirements for maritime applications with respect to service robustness, accuracy, integrity and availability. In particular, applications in port areas (for example automated docking) and in constricted waterways, have very stringent performance requirements. Even when an integrated inertial navigation system (INS)/GNSS device is used there may still be performance gaps. GNSS signals are easily blocked or interfered with, and sometimes the satellite geometry may not be good enough for high accuracy and high reliability applications. Furthermore, the INS accuracy degrades rapidly during GNSS outages. This paper investigates the use of a portable ground-based positioning system, known as ‘Locata’, which was integrated with an INS, to provide accurate navigation in a marine environment without reliance on GNSS signals. An ‘on-the-fly’ Locata resolution algorithm that takes advantage of geometry change via an extended Kalman filter is proposed in this paper. Single-differenced Locata carrier phase measurements are utilized to achieve accurate and reliable solutions. A ‘loosely coupled’ decentralized Locata/INS integration architecture based on the Kalman filter is used for data processing. In order to evaluate the system performance, a field trial was conducted on Sydney Harbour. A Locata network consisting of eight Locata transmitters was set up near the Sydney Harbour Bridge. The experiment demonstrated that the Locata on-the-fly (OTF) algorithm is effective and can improve the system accuracy in comparison with the conventional ‘known point initialization’ (KPI) method. After the OTF and KPI comparison, the OTF Locata/INS integration is then assessed further and its performance improvement on both stand-alone OTF Locata and INS is shown. The Locata/INS integration can achieve centimetre-level accuracy for position solutions, and centimetre-per-second accuracy for velocity determination.

Assessment of the probability of introduction of bovine tuberculosis to Danish cattle farms via imports of live cattle from abroad and immigrant workers.

PubMed

Foddai, Alessandro; Nielsen, Liza Rosenbaum; Krogh, Kaspar; Alban, Lis

2015-12-01

Denmark has been recognized as officially free (OTF) from bovine tuberculosis (bTB) since 1980. In this study, we estimated the annual probability (PIntro) of introducing Mycobacterium bovis into the Danish cattle population, through (a) imports of cattle and (b) foreign personnel working in Danish cattle herds. Data from 2000 to 2013 with date, number and origin of imported live cattle were obtained from the Danish Cattle Federation. Information on immigrants working in Danish cattle herds was obtained through a questionnaire sent by email to a sample of Danish cattle farmers (N=460). Inputs obtained from data analysis, expert opinion, the questionnaire and literature were fed into three stochastic scenario tree models used to simulate the effect of import trade patterns, and contact between immigrant workers and cattle. We also investigated the opportunity of testing animals imported from OTF countries by tuberculin skin test and animals from non-OTF countries by interferon-γ test (IFN-γ), exemplified by using year 2009 where the number of imported animals was higher than usual. Results showed that PIntro is driven mainly by importation of live cattle. The combined median annual probability of introducing M. bovis into the Danish cattle population by either imported live cattle or infectious immigrant workers, ranged from 0.3% (90% prediction interval (P.I.): 0.04%:1.4%) in 2001 to 4.9% (90% P.I.: 0.6%; 19.2%) in 2009. The median of the median PIntro estimates from the 14 years was 0.7% (median of 90% P.I.: 0.08%; 3.5%). Hence, on average, at least one introduction each 143 years could be expected, if the annual number of imported animals does not change remarkably in the future. If the number of imported animals increases, compared to the years we analyzed, additional testing of imported cattle might be considered. For example, in 2009, PIntro would have been reduced from 4.9% to 0.8% (90% P.I.: 0.1%; 4.7%) if animals from OTF countries had been tested with the tuberculin skin test and animals from non-OTF countries had been tested with the IFN-γ test. The presented model could be used easily in other countries with similar bTB status to Denmark, where wildlife represents a negligible probability of infection for domestic cattle and where the imported live cattle represent the main pathway of bTB introduction into the local cattle population. Copyright © 2015 Elsevier B.V. All rights reserved.

Ionic liquid marbles.

PubMed

Gao, Lichao; McCarthy, Thomas J

2007-10-09

Liquid marbles have been reported during this decade and have been argued to be potentially useful for microfluidic and lab-on-a-chip applications. The liquid marbles described to date have been composed of either water or glycerol as the liquid and hydrophobized lycopodium or silica as the stabilizing particles. Both of these components are potentially reactive and do not permit the use of organic chemistry; the liquids are volatile. We report the use of perfluoroalkyl particles (oligomeric (OTFE) and polymeric (PTFE) tetrafluoroethylene, which are unreactive) to support/stabilize a range of ionic liquid marbles. Ionic liquids are not volatile and have been demonstrated to be versatile solvents for chemical transformations. Water marbles prepared with OTFE are much more robust than those prepared with hydrophobized lycopodium or silica.

Sweetening ruthenium and osmium: organometallic arene complexes containing aspartame.

PubMed

Gray, Jennifer C; Habtemariam, Abraha; Winnig, Marcel; Meyerhof, Wolfgang; Sadler, Peter J

2008-09-01

The novel organometallic sandwich complexes [(eta(6)-p-cymene)Ru(eta(6)-aspartame)](OTf)(2) (1) (OTf = trifluoromethanesulfonate) and [(eta(6)-p-cymene)Os(eta(6)-aspartame)](OTf)(2) (2) incorporating the artificial sweetener aspartame have been synthesised and characterised. A number of properties of aspartame were found to be altered on binding to either metal. The pK(a) values of both the carboxyl and the amino groups of aspartame are lowered by between 0.35 and 0.57 pH units, causing partial deprotonation of the amino group at pH 7.4 (physiological pH). The rate of degradation of aspartame to 3,6-dioxo-5-phenylmethylpiperazine acetic acid (diketopiperazine) increased over threefold from 0.12 to 0.36 h(-1) for 1, and to 0.43 h(-1) for 2. Furthermore, the reduction potential of the ligand shifted from -1.133 to -0.619 V for 2. For the ruthenium complex 1 the process occurred in two steps, the first (at -0.38 V) within a biologically accessible range. This facilitates reactions with biological reductants such as ascorbate. Binding to and activation of the sweet taste receptor was not observed for these metal complexes up to concentrations of 1 mM. The factors which affect the ability of metal-bound aspartame to interact with the receptor site are discussed.

Sequential Dy(OTf)3 -Catalyzed Solvent-Free Per-O-Acetylation and Regioselective Anomeric De-O-Acetylation of Carbohydrates.

PubMed

Yan, Yi-Ling; Guo, Jiun-Rung; Liang, Chien-Fu

2017-09-19

Dysprosium(III) trifluoromethanesulfonate-catalyzed per-O-acetylation and regioselective anomeric de-O-acetylation of carbohydrates can be tuned by adjusting the reaction medium. In this study, the per-O-acetylation of unprotected sugars by using a near-stoichiometric amount of acetic anhydride under solvent-free conditions resulted in the exclusive formation of acetylated saccharides as anomeric mixtures, whereas anomeric de-O-acetylation in methanol resulted in a moderate-to-excellent yield. Reactions with various unprotected monosaccharides or disaccharides followed by a semi-one-pot sequential conversion into the corresponding acetylated glycosyl hemiacetal also resulted in high yields. Furthermore, the obtained hemiacetals could be successfully transformed into trichloroimidates after Dy(OTf) 3 -catalyzed glycosylation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A combined simple bubbling method with high performance liquid chromatography purification strategy, higher radiochemical yield and purity and faster preparation of carbon-11-raclopride.

PubMed

Huang, Huacheng; Ning, Yanli; Zhang, Bucheng; Lou, Cen

2015-01-01

Carbon-11-raclopride (¹¹C-R) is a positron-emitting radiotracer successfully used for the study of cognitive control and widely applied in PET imaging. A simple automated preparation of ¹¹C-R by using the reaction of carbon-(11)-methyl triflate (¹¹C-MeOTF) or ¹¹C-methyl iodide (¹¹C-MeI) with demethylraclopride is described. Specifically we used a simple setup applied an additional "U" reaction vessel for ¹¹C-MeOTf compared with ¹¹C-MeI and assessed the influence of several solvents and of the amount of the percussor for ¹¹C-methylation of demethylraclopride by the bubbling method. The reversal of retention order between product and its precursor has been achieved for ¹¹C-R, enabling collection of the purified ¹¹C-R by using the HPLC column after shorter retention time. By the improved radiosynthesis and purification strategy, ¹¹C-R could be prepared with higher radiochemical yield than that of the previous studies. The yield for ¹¹C-MeOTf was 76% and for ¹¹C-CH3I >26% and with better radiochemical purity (>99% based on both ¹¹C-MeOTf and ¹¹C-MeI) as compared to the previously obtained purity of ¹¹C-R using HPLC method with acetonitrile as a part of mobile phase. Furthermore, by using ethanol as the organic modifier, residual solvent analysis prior to human injection could be avoided and ¹¹C-R could be injected directly following simple dilution and sterile filtration. Improved radiosynthesis and HPLC purification in combination with ethanol containing eluent, extremely shortened the time for preparation of ¹¹C-R, gave a higher radiochemical yield and purity for ¹¹C-R and can be used for multiple and faster synthesis of ¹¹C-R and probably for other ¹¹C-labeled radiopharmaceuticals.

Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).

PubMed

Smiles, Danil E; Wu, Guang; Hayton, Trevor W

2016-09-19

The reaction of [Th(I)(NR2)3] (R = SiMe3) with [K(18-crown-6)]2[S4] results in the formation of [K(18-crown-6)][Th(η(3)-S3)(NR2)3] (2). Oxidation of 2, or its uranium analogue, [K(18-crown-6)][U(η(3)-S3)(NR2)3] (1), with AgOTf, in an attempt to generate an [S3](•-) complex, results in the formation of [K(18-crown-6)][An(OTf)2(NR2)3] (3, An = U; 4, An = Th) as the only isolable products. These results suggest that the putative [S3](•-) ligand is only weakly coordinating and can be easily displaced by nucleophiles.

Use of localized performance-based functions for the specification and correction of hybrid imaging systems

NASA Astrophysics Data System (ADS)

Lisson, Jerold B.; Mounts, Darryl I.; Fehniger, Michael J.

1992-08-01

Localized wavefront performance analysis (LWPA) is a system that allows the full utilization of the system optical transfer function (OTF) for the specification and acceptance of hybrid imaging systems. We show that LWPA dictates the correction of wavefront errors with the greatest impact on critical imaging spatial frequencies. This is accomplished by the generation of an imaging performance map-analogous to a map of the optic pupil error-using a local OTF. The resulting performance map a function of transfer function spatial frequency is directly relatable to the primary viewing condition of the end-user. In addition to optimizing quality for the viewer it will be seen that the system has the potential for an improved matching of the optical and electronic bandpass of the imager and for the development of more realistic acceptance specifications. 1. LOCAL WAVEFRONT PERFORMANCE ANALYSIS The LWPA system generates a local optical quality factor (LOQF) in the form of a map analogous to that used for the presentation and evaluation of wavefront errors. In conjunction with the local phase transfer function (LPTF) it can be used for maximally efficient specification and correction of imaging system pupil errors. The LOQF and LPTF are respectively equivalent to the global modulation transfer function (MTF) and phase transfer function (PTF) parts of the OTF. The LPTF is related to difference of the average of the errors in separated regions of the pupil. Figure

A comparison between using incoherent or coherent sources to align and test an adaptive optical telescope

NASA Technical Reports Server (NTRS)

Anderson, Richard

1994-01-01

The concept in the initial alignment of the segmented mirror adaptive optics telescope called the phased array mirror extendable large aperture telescope (Pamela) is to produce an optical transfer function (OTF) which closely approximates the diffraction limited value which would correspond to a system pupil function that is unity over the aperture and zero outside. There are differences in the theory of intensity measurements between coherent and incoherent radiation. As a result, some of the classical quantities which describe the performance of an optical system for incoherent radiation can not be defined for a coherent field. The most important quantity describing the quality of an optical system is the OTF and for a coherent source the OTF is not defined. Instead a coherent transfer function (CTF) is defined. The main conclusion of the paper is that an incoherent collimated source and not a collimated laser source is preferred to calibrate the Hartmann wavefront sensor (WFS) of an aligned adaptive optical system. A distant laser source can be used with minimum problems to correct the system for atmospheric turbulence. The collimation of the HeNe laser alignment source can be improved by using a very small pin hole in the spatial filter so only the central portion of the beam is transmitted and the beam from the filter is nearly constant in amplitude. The size of this pin hole will be limited by the sensitivity of the lateral effect diode (LEDD) elements.

3β,5α,6β-Trihy­droxy­androstan-17-one

PubMed Central

Andrade, L.C.R.; de Almeida, M.J.B.M.; Paixão, J.A.; Carvalho, J.F.S.; Sá e Melo, M.L.

2011-01-01

The title compound, C19H30O4, is an androstan-17-one derivative synthesized from the dehydro­epiandrosterone through a sequential addition of an oxidant, followed by a trans-diaxial opening of the epoxide generated, with Bi(OTf)3 (OTf is trifluoro­methane­sulfonate). The six-membered rings have a slightly flattened chair conformation, while the five-membered ring adopts a 14-α envelope conformation. All rings are trans fused. In the crystal, the mol­ecules are connected by O—H⋯O hydrogen bonds involving the hydroxyl and carbonyl groups, forming a three-dimensional network. A quantum mechanical ab initio Roothan Hartree–Fock calculation of the free mol­ecule gives bond lengths, valency angles and ring torsion angles of the free molecule at equilibrium geometry (energy minimum) close to the experimental values. PMID:21754383

A nanospherical ordered mesoporous Lewis acid polymer for the direct glycosylation of unprotected and unactivated sugars in water.

PubMed

Zhang, Fang; Liang, Chao; Wu, Xiaotao; Li, Hexing

2014-08-04

The design of robust solid catalysts which can selectively synthesize highly functionalized carbohydrate derivatives from unprotected and unactivated simple sugars in water is an outstanding challenge. Herein we describe the preparation of a novel nanospherical ordered mesoporous Lewis acid polymer (Sc(OTf)2-NSMP) by functionalizing the mesoporous phenol-formaldehyde polymer framework with scandium triflate groups. In the C-glycosylation reaction between D-glucose and dimedone with the Sc(OTf)2-NSMP catalyst, the conversion was 99% and the yield of xanthone-C-glucoside reached 92% after 2 days, which exceeded the previous best results. It was shown that other xanthone glycosides can be obtained from various sugars with moderate to good yields. Furthermore, the catalyst can be easily recovered and reused at least seven times without loss of catalytic activity. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-Assembly of New Arene-Ruthenium Rectangles Containing Triptycene Building Block and Their Application in Fluorescent Detection of Nitro Aromatics

PubMed Central

Dubey, Abhishek; Mishra, Anurag; Min, Jin Wook; Lee, Min Hyung; Kim, Hyunuk; Stang, Peter J.; Chi, Ki-Whan

2014-01-01

A suite of two new tetraruthenium metallarectangles 5 and 6 have been obtained from [2 + 2] self-assemblies between dipyridylethynyltriptycene 2 and one of the two dinuclear arene ruthenium clips, [Ru2 (μ-η4-OO∩OO) (η6-p-cymene)2][OTf]2 ; (OO∩OO = oxalate 3; 6,11-dihydroxy-5,12-naphthacenedionato (dotq) 4; OTf = triflate). These molecular rectangles are fully characterized by 1H NMR spectroscopy, electrospray mass spectrometry. A single crystal of 6 was suitable for X-ray diffraction structural characterization. These new metallarectangles showed fluorescence behavior in solution, have been examined for emission quenching effects with various aromatic compounds, and show high quenching selectivity and sensitivity towards nitroaromatics, particularly picric acid and trinitrotoluene. Excited-state charge transfer from the rectangles to nitro aromatic substrates can be used to develop selective fluorescent sensors for nitro aromatics. PMID:26321767

Gd(OTf)3-catalyzed synthesis of geranyl esters for the intramolecular radical cyclization of their epoxides mediated by titanocene(III).

PubMed

García Santos, William H; Puerto Galvis, Carlos E; Kouznetsov, Vladimir V

2015-02-07

A selective and mild method for the esterification of a variety of carboxylic acids with geraniol is developed. We demonstrated that the use of triphenylphosphine, I2, 2-methylimidazole or imidazole and a catalytic amount of Gd(OTf)3 resulted to be more active than the previous protocols, providing a 16-membered library of geranyl esters in higher yields and in shorter reaction times. The use of essential oil of palmarosa (Cymbopogon martinii), enriched with geraniol, as a raw material for the synthesis of the target compounds complemented and proved how sustainable and eco-friendly this protocol is. Finally, the selective 6,7-epoxidation of the obtained geranyl esters led us to study their regio-controlled radical cyclization mediated by titanocene(III) for the synthesis of novel (8-hydroxy-9,9-dimethyl-5-methylene cyclohexyl)methyl esters in moderate yields and with excellent stereoselectivities.

Adaptive Distributed Video Coding with Correlation Estimation using Expectation Propagation

PubMed Central

Cui, Lijuan; Wang, Shuang; Jiang, Xiaoqian; Cheng, Samuel

2013-01-01

Distributed video coding (DVC) is rapidly increasing in popularity by the way of shifting the complexity from encoder to decoder, whereas no compression performance degrades, at least in theory. In contrast with conventional video codecs, the inter-frame correlation in DVC is explored at decoder based on the received syndromes of Wyner-Ziv (WZ) frame and side information (SI) frame generated from other frames available only at decoder. However, the ultimate decoding performances of DVC are based on the assumption that the perfect knowledge of correlation statistic between WZ and SI frames should be available at decoder. Therefore, the ability of obtaining a good statistical correlation estimate is becoming increasingly important in practical DVC implementations. Generally, the existing correlation estimation methods in DVC can be classified into two main types: pre-estimation where estimation starts before decoding and on-the-fly (OTF) estimation where estimation can be refined iteratively during decoding. As potential changes between frames might be unpredictable or dynamical, OTF estimation methods usually outperforms pre-estimation techniques with the cost of increased decoding complexity (e.g., sampling methods). In this paper, we propose a low complexity adaptive DVC scheme using expectation propagation (EP), where correlation estimation is performed OTF as it is carried out jointly with decoding of the factor graph-based DVC code. Among different approximate inference methods, EP generally offers better tradeoff between accuracy and complexity. Experimental results show that our proposed scheme outperforms the benchmark state-of-the-art DISCOVER codec and other cases without correlation tracking, and achieves comparable decoding performance but with significantly low complexity comparing with sampling method. PMID:23750314

Solubility of alkali metal halides in the ionic liquid [C4C1im][OTf].

PubMed

Kuzmina, O; Bordes, E; Schmauck, J; Hunt, P A; Hallett, J P; Welton, T

2016-06-28

The solubilities of the metal halides LiF, LiCl, LiBr, LiI, NaF, NaCl, NaBr, NaI, KF, KCl, KBr, KI, RbCl, CsCl, CsI, were measured at temperatures ranging from 298.15 to 378.15 K in the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([C4C1im][OTf]). Li(+), Na(+) and K(+) salts with anions matching the ionic liquid have also been investigated to determine how well these cations dissolve in [C4C1im][OTf]. This study compares the influence of metal cation and halide anion on the solubility of salts within this ionic liquid. The highest solubility found was for iodide salts, and the lowest solubility for the three fluoride salts. There is no outstanding difference in the solubility of salts with matching anions in comparison to halide salts. The experimental data were correlated employing several phase equilibria models, including ideal mixtures, van't Hoff, the λh (Buchowski) equation, the modified Apelblat equation, and the non-random two-liquid model (NRTL). It was found that the van't Hoff model gave the best correlation results. On the basis of the experimental data the thermodynamic dissolution parameters (ΔH, ΔS, and ΔG) were determined for the studied systems together with computed gas phase metathesis parameters. Dissolution depends on the energy difference between enthalpies of fusion and dissolution of the solute salt. This demonstrates that overcoming the lattice energy of the solid matrix is the key to the solubility of inorganic salts in ionic liquids.

Adaptive distributed video coding with correlation estimation using expectation propagation

NASA Astrophysics Data System (ADS)

Cui, Lijuan; Wang, Shuang; Jiang, Xiaoqian; Cheng, Samuel

2012-10-01

Distributed video coding (DVC) is rapidly increasing in popularity by the way of shifting the complexity from encoder to decoder, whereas no compression performance degrades, at least in theory. In contrast with conventional video codecs, the inter-frame correlation in DVC is explored at decoder based on the received syndromes of Wyner-Ziv (WZ) frame and side information (SI) frame generated from other frames available only at decoder. However, the ultimate decoding performances of DVC are based on the assumption that the perfect knowledge of correlation statistic between WZ and SI frames should be available at decoder. Therefore, the ability of obtaining a good statistical correlation estimate is becoming increasingly important in practical DVC implementations. Generally, the existing correlation estimation methods in DVC can be classified into two main types: pre-estimation where estimation starts before decoding and on-the-fly (OTF) estimation where estimation can be refined iteratively during decoding. As potential changes between frames might be unpredictable or dynamical, OTF estimation methods usually outperforms pre-estimation techniques with the cost of increased decoding complexity (e.g., sampling methods). In this paper, we propose a low complexity adaptive DVC scheme using expectation propagation (EP), where correlation estimation is performed OTF as it is carried out jointly with decoding of the factor graph-based DVC code. Among different approximate inference methods, EP generally offers better tradeoff between accuracy and complexity. Experimental results show that our proposed scheme outperforms the benchmark state-of-the-art DISCOVER codec and other cases without correlation tracking, and achieves comparable decoding performance but with significantly low complexity comparing with sampling method.

Adaptive Distributed Video Coding with Correlation Estimation using Expectation Propagation.

PubMed

Cui, Lijuan; Wang, Shuang; Jiang, Xiaoqian; Cheng, Samuel

2012-10-15

Distributed video coding (DVC) is rapidly increasing in popularity by the way of shifting the complexity from encoder to decoder, whereas no compression performance degrades, at least in theory. In contrast with conventional video codecs, the inter-frame correlation in DVC is explored at decoder based on the received syndromes of Wyner-Ziv (WZ) frame and side information (SI) frame generated from other frames available only at decoder. However, the ultimate decoding performances of DVC are based on the assumption that the perfect knowledge of correlation statistic between WZ and SI frames should be available at decoder. Therefore, the ability of obtaining a good statistical correlation estimate is becoming increasingly important in practical DVC implementations. Generally, the existing correlation estimation methods in DVC can be classified into two main types: pre-estimation where estimation starts before decoding and on-the-fly (OTF) estimation where estimation can be refined iteratively during decoding. As potential changes between frames might be unpredictable or dynamical, OTF estimation methods usually outperforms pre-estimation techniques with the cost of increased decoding complexity (e.g., sampling methods). In this paper, we propose a low complexity adaptive DVC scheme using expectation propagation (EP), where correlation estimation is performed OTF as it is carried out jointly with decoding of the factor graph-based DVC code. Among different approximate inference methods, EP generally offers better tradeoff between accuracy and complexity. Experimental results show that our proposed scheme outperforms the benchmark state-of-the-art DISCOVER codec and other cases without correlation tracking, and achieves comparable decoding performance but with significantly low complexity comparing with sampling method.

Redox inactive metal ion triggered N-dealkylation by an iron catalyst with dioxygen activation: a lesson from lipoxygenases.

PubMed

Zhang, Jisheng; Wang, Yujuan; Luo, Nengchao; Chen, Zhuqi; Wu, Kangbing; Yin, Guochuan

2015-06-07

Utilization of dioxygen as the terminal oxidant at ambient temperature is always a challenge in redox chemistry, because it is hard to oxidize a stable redox metal ion like iron(III) to its high oxidation state to initialize the catalytic cycle. Inspired by the dioxygenation and co-oxidase activity of lipoxygenases, herein, we introduce an alternative protocol to activate the sluggish iron(III) species with non-redox metal ions, which can promote its oxidizing power to facilitate substrate oxidation with dioxygen, thus initializing the catalytic cycle. In oxidations of N,N-dimethylaniline and its analogues, adding Zn(OTf)2 to the [Fe(TPA)Cl2]Cl catalyst can trigger the amine oxidation with dioxygen, whereas [Fe(TPA)Cl2]Cl alone is very sluggish. In stoichiometric oxidations, it has also been confirmed that the presence of Zn(OTf)2 can apparently improve the electron transfer capability of the [Fe(TPA)Cl2]Cl complex. Experiments using different types of substrates as trapping reagents disclosed that the iron(IV) species does not occur in the catalytic cycle, suggesting that oxidation of amines is initialized by electron transfer rather than hydrogen abstraction. Combined experiments from UV-Vis, high resolution mass spectrometry, electrochemistry, EPR and oxidation kinetics support that the improved electron transfer ability of iron(III) species originates from its interaction with added Lewis acids like Zn(2+) through a plausible chloride or OTf(-) bridge, which has promoted the redox potential of iron(III) species. The amine oxidation mechanism was also discussed based on the available data, which resembles the co-oxidase activity of lipoxygenases in oxidative dealkylation of xenobiotic metabolisms where an external electron donor is not essential for dioxygen activation.

Catalytic Deoxygenation of 1,2-Propanediol to Give n-Propanol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schlaf, Marcel; Ghosh, Prasenjit; Fagan, Paul J.

2009-03-01

Catalytic deoxygenation of 1,2-propanediol has been studied as a model the for deoxygenation of polyols and other biomass-derived compounds. Deoxygenation of 1,2-propanediol (1.0 M in sulfolane) catalyzed by {[Cp*Ru(CO)2]2(μ-H)}+OTf – (0.5 mol %) at 110 °C under H2 (750 psi) in the presence of HOTf (60 mM) gives n-propanol (54 %) as the major product, indicating a high selectivity for deoxygenation of the internal OH over the terminal OH of the diol. Di-n propyl ether forms through condensation of n-propanol with itself, and propylene glycol propyl ether arises from condensation of n-propanol with the starting material diol, giving a totalmore » of up to 80 % yield for deoxygenation / hydrogenation products under these conditions. The deoxygenation of 1,2-propanediol is strongly influenced by the concentration of acid, giving faster rates and proceeding to higher conversions as the concentration of HOTf is increased. There is little or no dependence of the rate on the pressure of H2. Propionaldehyde was observed as an intermediate, being formed through acid-catalyzed dehydration of 1,2-propanediol. This aldehyde is hydrogenated to n-propanol through an ionic pathway involving protonation of the aldehyde, followed by hydride transfer from the neutral hydride, Cp*Ru(CO)2H. The proposed mechanism for the deoxygenation/hydrogenation reaction involves formation of a highly acidic dihydrogen complex, [Cp*Ru(CO)2(η2-H2)]+OTf-. Regeneration of the dihydrogen complex occurs through reaction of Cp*Ru(CO)2OTf with H2. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.« less

Photosensitized generation of singlet oxygen by rhenium(I) complex

NASA Astrophysics Data System (ADS)

Burchinov, A. N.; Kiselev, V. M.; Penni, A. A.; Khistyaeva, V. V.

2015-12-01

The photosensitized generation of singlet oxygen in solutions of rhenium(I) complex fac-[Re(bipy)(CO)3NCCH3]+OTf-, where bipy=2,2'-bipyridine, in chloride methylene and carbon tetrachloride under continuous LED irradiation in the UV and visible ranges has been investigated.

Cascade catalysis for the homogeneous hydrogenation of CO2 to methanol.

PubMed

Huff, Chelsea A; Sanford, Melanie S

2011-11-16

This communication demonstrates the homogeneous hydrogenation of CO(2) to CH(3)OH via cascade catalysis. Three different homogeneous catalysts, (PMe(3))(4)Ru(Cl)(OAc), Sc(OTf)(3), and (PNN)Ru(CO)(H), operate in sequence to promote this transformation.

Arrested 1,2-hydrogen migration from silicon to nickel upon oxidation of a three-coordinate Ni(I) silyl complex.

PubMed

Iluc, Vlad M; Hillhouse, Gregory L

2010-09-01

Reaction of the dimeric Ni(I) chloride complex [(dtbpe)NiCl](2) (1) with dimesitylsilyl potassium affords the three-coordinate Ni(I) silyl complex (dtbpe)Ni(SiHMes(2)) (2). Alternatively, 2 can be prepared by an oxidative-addition reaction of Mes(2)Si(H)OTf (Tf = CF(3)SO(3)) with the nickel(0) complex [(dtbpe)Ni](2)(mu-C(6)H(6)) (3), with (dtbpe)Ni(OTf) (4) formed as an easily separable byproduct. The one-electron oxidation of 2 by ferrocenium affords diamagnetic [(dtbpe)Ni(mu-H)SiMes(2)][BAr(F)(4)] (5), a Ni(II) complex formed by partial 1,2-H migration from silicon to nickel and featuring an unusual 3-center, 2-electron bonding motif between Ni, Si, and the bridging H. Complex 5 was also obtained from Mes(2)SiH(2) activation by the neopentyl complex salt [(dtbpe)Ni(CH(2)CMe(3))][BAr(F)(4)] (6) with elimination of neopentane.

Improvements In The Calculation Of White Light Modulation Transfer Function (MTF) In Japan Optical Engineering Research Association (JOERA)

NASA Astrophysics Data System (ADS)

Minami, Setsuo; Ogawa, Ryota

1980-09-01

Consequences of the working project formed in JOERA (JAPAN OPTICAL ENGINEERING RESEARCH ASSOCIATION) from 1976 to 1978 are to be reported. The question, "What is the most reasonable number of mesh divides of entrance pupil to get monochromatic OTF and the most economical sampling method of spectral wavelengths to calculate White Light MTF?" is important in the actual stage of designing to optimize the conflict relationship between numerical accuracy and computing time. We have examined the spectral characteristics of OTF using some typical lenses such as photographic telephoto lens and wide angled retrofocus lens, cleared the structure of the White Light MTF, and found some techniques to get the reasonable numerical results. As a result of trial experiments to get coincidence between measurements and calculat-ions, the standard filter, which should be added to the MTF lens tester and whose spectral transmittance should be installed in the calculation, are proposed.

Facile CO Cleavage by a Multimetallic CsU2 Nitride Complex.

PubMed

Falcone, Marta; Kefalidis, Christos E; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella

2016-09-26

Uranium nitrides are important materials with potential for application as fuels for nuclear power generation, and as highly active catalysts. Molecular nitride compounds could provide important insight into the nature of the uranium-nitride bond, but currently little is known about their reactivity. In this study, we found that a complex containing a nitride bridging two uranium centers and a cesium cation readily cleaved the C≡O bond (one of the strongest bonds in nature) under ambient conditions. The product formed has a [CsU2 (μ-CN)(μ-O)] core, thus indicating that the three cations cooperate to cleave CO. Moreover, the addition of MeOTf to the nitride complex led to an exceptional valence disproportionation of the CsU(IV) -N-U(IV) core to yield CsU(III) (OTf) and [MeN=U(V) ] fragments. The important role of multimetallic cooperativity in both reactions is illustrated by the computed reaction mechanisms. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal Triflates for the Production of Aromatics from Lignin.

PubMed

Deuss, Peter J; Lahive, Ciaran W; Lancefield, Christopher S; Westwood, Nicholas J; Kamer, Paul C J; Barta, Katalin; de Vries, Johannes G

2016-10-20

The depolymerization of lignin into valuable aromatic chemicals is one of the key goals towards establishing economically viable biorefineries. In this contribution we present a simple approach for converting lignin to aromatic monomers in high yields under mild reaction conditions. The methodology relies on the use of catalytic amounts of easy-to-handle metal triflates (M(OTf) x ). Initially, we evaluated the reactivity of a broad range of metal triflates using simple lignin model compounds. More advanced lignin model compounds were also used to study the reactivity of different lignin linkages. The product aromatic monomers were either phenolic C2-acetals obtained by stabilization of the aldehyde cleavage products by reaction with ethylene glycol or methyl aromatics obtained by catalytic decarbonylation. Notably, when the method was ultimately tested on lignin, especially Fe(OTf) 3 proved very effective and the phenolic C2-acetal products were obtained in an excellent, 19.3±3.2 wt % yield. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Subsurface investigation with ground penetrating radar

USDA-ARS?s Scientific Manuscript database

Ground penetrating radar (GPR) data was collected on a small test plot at the OTF/OSU Turfgrass Research & Education Facility in Columbus, Ohio. This test plot was built to USGA standards for a golf course green, with a constructed sand layer just beneath the surface overlying a gravel layer, that i...

Integrating Space into an Air Expeditionary Force

DTIC Science & Technology

1999-04-01

National Guard in space. Further thanks go out to Col Andersson, Col Hoapili, CAPT Huffine, LTC Glen Collins, USA, LTC Bill Bayles, USA, Maj Brian Creelman ...should be the senior space professional in theater, regardless of service. The main questions regarding a JSpOTF pertain to this task force’s physical

Work with Us | Photovoltaic Research | NREL

Science.gov Websites

Research Facility (SERF) Science and Technology Facility (S&TF) Outdoor Test Facility (OTF) Energy the Hands On Photovoltaic Experience (HOPE). Photo of a researcher in a lab Photovoltaic research and related activities occur in various locations across the NREL campus, including the Solar Energy Research

Outdoor Test Facility and Related Facilities | Photovoltaic Research | NREL

Science.gov Websites

advanced or emerging photovoltaic (PV) technologies under simulated, accelerated indoor and outdoor, and evaluate prototype, pre-commercial, and commercial PV modules. One of the major roles of researchers at the OTF is to work with industry to develop uniform and consensus standards and codes for testing PV

Direct reductive amination of aromatic aldehydes catalyzed by gold(I) complex under transfer hydrogenation conditions.

PubMed

Zhang, Ming; Yang, Hongwei; Zhang, Yan; Zhu, Chengjian; Li, Wei; Cheng, Yixiang; Hu, Hongwen

2011-06-21

The direct reductive amination of aromatic aldehydes has been achieved with excellent isolated yields (89-96%) using readily accessible Ph(3)PAuCl/AgOTf catalyst along with ethyl Hantzsch ester as hydrogen source under mild reaction conditions. This journal is © The Royal Society of Chemistry 2011

Lewis Acid Assisted Nitrate Reduction with Biomimetic Molybdenum Oxotransferase Complex.

PubMed

Elrod, Lee Taylor; Kim, Eunsuk

2018-03-05

The reduction of nitrate (NO 3 - ) to nitrite (NO 2 - ) is of significant biological and environmental importance. While Mo IV (O) and Mo VI (O) 2 complexes that mimic the active site structure of nitrate reducing enzymes are prevalent, few of these model complexes can reduce nitrate to nitrite through oxygen atom transfer (OAT) chemistry. We present a novel strategy to induce nitrate reduction chemistry of a previously known catalyst Mo IV (O)(SN) 2 (2), where SN = bis(4- tert-butylphenyl)-2-pyridylmethanethiolate, that is otherwise incapable of achieving OAT with nitrate. Addition of nitrate with the Lewis acid Sc(OTf) 3 (OTf = trifluoromethanesulfonate) to 2 results in an immediate and clean conversion of 2 to Mo VI (O) 2 (SN) 2 (1). The Lewis acid additive further reacts with the OAT product, nitrite, to form N 2 O and O 2 . This work highlights the ability of Sc 3+ additives to expand the reactivity scope of an existing Mo IV (O) complex together with which Sc 3+ can convert nitrate to stable gaseous molecules.

Facile Reductive Silylation of UO22+ to Uranium(IV) Chloride.

PubMed

Kiernicki, John J; Zeller, Matthias; Bart, Suzanne C

2017-01-19

General reductive silylation of the UO 2 2+ cation occurs readily in a one-pot, two-step stoichiometric reaction at room temperature to form uranium(IV) siloxides. Addition of two equivalents of an alkylating reagent to UO 2 X 2 (L) 2 (X=Cl, Br, I, OTf; L=triphenylphosphine oxide, 2,2'-bipyridyl) followed by two equivalents of a silyl (pseudo)halide, R 3 Si-X (R=aryl, alkyl, H; X=Cl, Br, I, OTf, SPh), cleanly affords (R 3 SiO) 2 UX 2 (L) 2 in high yields. Support is included for the key step in the process, reduction of U VI to U V . This procedure is applicable to a wide range of commercially available uranyl salts, silyl halides, and alkylating reagents. Under this protocol, one equivalent of SiCl 4 or two equivalents of Me 2 SiCl 2 results in direct conversion of the uranyl to uranium(IV) tetrachloride. Full spectroscopic and structural characterization of the siloxide products is reported. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Room-temperature ionic liquids enhanced green synthesis of β-glycosyl 1-ester.

PubMed

Cui, Yanli; Xu, Minghan; Yao, Weirong; Mao, Jianwei

2015-04-30

We herein report an efficient synthesis of β-glycosyl 1-ester in room-temperature ionic liquids (RTILs) promoted via silver salt and quaternary ammonium salt (PTC) with good or excellent yields. All products were isolated exclusively as the β-anomers. Four different RTILs, eight metal salts and four quaternary ammonium salts were screened in the glycosylation reaction. The synergistic effect of C6mim·OTf, Ag2O and tetrabutylammonium iodine gave the best results. Their promotion to the system was integral. Thorough study provided insight into the catalytic activity of ionic liquid structure, metal salts and quaternary ammonium salt to these reactions. It is worth mentioning that the yield of aliphatic compound 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl butyrate (3l) was highly improved when using C6mim·OTf as solvent compared with the normal volatile solvents under the same catalysts. This green approach has been proved to be practical and compatible with a wide range from aliphatic to aromatic substrates. Copyright © 2015 Elsevier Ltd. All rights reserved.

Imaging characteristics of Zernike and annular polynomial aberrations.

PubMed

Mahajan, Virendra N; Díaz, José Antonio

2013-04-01

The general equations for the point-spread function (PSF) and optical transfer function (OTF) are given for any pupil shape, and they are applied to optical imaging systems with circular and annular pupils. The symmetry properties of the PSF, the real and imaginary parts of the OTF, and the modulation transfer function (MTF) of a system with a circular pupil aberrated by a Zernike circle polynomial aberration are derived. The interferograms and PSFs are illustrated for some typical polynomial aberrations with a sigma value of one wave, and 3D PSFs and MTFs are shown for 0.1 wave. The Strehl ratio is also calculated for polynomial aberrations with a sigma value of 0.1 wave, and shown to be well estimated from the sigma value. The numerical results are compared with the corresponding results in the literature. Because of the same angular dependence of the corresponding annular and circle polynomial aberrations, the symmetry properties of systems with annular pupils aberrated by an annular polynomial aberration are the same as those for a circular pupil aberrated by a corresponding circle polynomial aberration. They are also illustrated with numerical examples.

Water oxidation catalysis with nonheme iron complexes under acidic and basic conditions: homogeneous or heterogeneous?

PubMed

Hong, Dachao; Mandal, Sukanta; Yamada, Yusuke; Lee, Yong-Min; Nam, Wonwoo; Llobet, Antoni; Fukuzumi, Shunichi

2013-08-19

Thermal water oxidation by cerium(IV) ammonium nitrate (CAN) was catalyzed by nonheme iron complexes, such as Fe(BQEN)(OTf)2 (1) and Fe(BQCN)(OTf)2 (2) (BQEN = N,N'-dimethyl-N,N'-bis(8-quinolyl)ethane-1,2-diamine, BQCN = N,N'-dimethyl-N,N'-bis(8-quinolyl)cyclohexanediamine, OTf = CF3SO3(-)) in a nonbuffered aqueous solution; turnover numbers of 80 ± 10 and 20 ± 5 were obtained in the O2 evolution reaction by 1 and 2, respectively. The ligand dissociation of the iron complexes was observed under acidic conditions, and the dissociated ligands were oxidized by CAN to yield CO2. We also observed that 1 was converted to an iron(IV)-oxo complex during the water oxidation in competition with the ligand oxidation. In addition, oxygen exchange between the iron(IV)-oxo complex and H2(18)O was found to occur at a much faster rate than the oxygen evolution. These results indicate that the iron complexes act as the true homogeneous catalyst for water oxidation by CAN at low pHs. In contrast, light-driven water oxidation using [Ru(bpy)3](2+) (bpy = 2,2'-bipyridine) as a photosensitizer and S2O8(2-) as a sacrificial electron acceptor was catalyzed by iron hydroxide nanoparticles derived from the iron complexes under basic conditions as the result of the ligand dissociation. In a buffer solution (initial pH 9.0) formation of the iron hydroxide nanoparticles with a size of around 100 nm at the end of the reaction was monitored by dynamic light scattering (DLS) in situ and characterized by X-ray photoelectron spectra (XPS) and transmission electron microscope (TEM) measurements. We thus conclude that the water oxidation by CAN was catalyzed by short-lived homogeneous iron complexes under acidic conditions, whereas iron hydroxide nanoparticles derived from iron complexes act as a heterogeneous catalyst in the light-driven water oxidation reaction under basic conditions.

Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine).

PubMed

Kitto, Heather J; Rae, A David; Webster, Richard D; Willis, Anthony C; Wild, S Bruce

2007-09-17

The ligand (S,S)-1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane, (S,S)-tetraphos, reacts with hexa(aqua)nickel(II) chloride in the presence of trimethylsilyl triflate (TMSOTf) in dichloromethane to give the yellow square-planar complex [Ni{(R,R)-tetraphos}](OTf)2, which has been crystallographically characterized as the square-pyramidal, acetonitrile adduct [Ni(NCMe){(R,R)-tetraphos}]OTf. Cyclic voltammograms of the nickel(II) complex in dichloromethane and acetonitrile at 20 degrees C showed two reduction processes at negative potentials with oxidative (E(p)(ox)) and reductive (E(p)(red)) peak separations similar to those observed for ferrocene/ferrocenium under identical conditions, suggesting two one-electron steps. The cyclic voltammetric data for the divalent nickel complex in acetonitrile at temperatures below -20 degrees C were interpreted according to reversible coordination of acetonitrile to the nickel(I) and nickel(0) complexes. The divalent palladium and platinum complexes [M{(R,R)-tetraphos}](PF6)2 and [M2{(R,R)-tetraphos}2](OTf)4 have been prepared. The reduction potentials for the complexes [M{(R,R)-tetraphos}](PF6)2 increase in the order nickel(II) < palladium(II) < platinum(II). The reaction of (S,S)-tetraphos with bis(cycloocta-1,5-diene)nickel(0) in benzene affords orange [Ni{(R,R)-tetraphos}], which slowly rearranges into the thermodynamically more stable, yellow, double-stranded helicate [Ni2{(R,R)-tetraphos}2]; the crystal structures of both complexes have been determined. The reactions of (S,S)-tetraphos with [M(PPh3)4] in toluene (M = Pd) or benzene (M = Pt) furnish the double-stranded helicates [M2{(R,R)-tetraphos}2]; the palladium complex crystallizes from hot benzene as the 2-benzene solvate and was structurally characterized by X-ray crystallography. In each of the three zerovalent complexes, the coordinated (R,R)-tetraphos stereospecifically generates tetrahedral M(PP)2 stereocenters of M configuration.

Synthesis and oxidation of CpIrIII compounds: functionalization of a Cp methyl group.

PubMed

Park-Gehrke, Lisa S; Freudenthal, John; Kaminsky, Werner; Dipasquale, Antonio G; Mayer, James M

2009-03-21

[CpIrCl(2)](2) () and new CpIr(III)(L-L)X complexes (L-L = N-O or C-N chelating ligands; X = Cl, I, Me) have been prepared and their reactivity with two-electron chemical oxidants explored. Reaction of with PhI(OAc)(2) in wet solvents yields a new chloro-bridged dimer in which each of the Cp ligands has been singly acetoxylated to form [Cp(OAc)Ir(III)Cl(2)](2) () (Cp(OAc) = eta(5)-C(5)Me(4)CH(2)OAc). Complex and related carboxy- and alkoxy-functionalized Cp(OR) complexes can also be prepared from plus (PhIO)(n) and ROH. [Cp(OAc)Ir(III)Cl(2)](2) () and the methoxy analogue [Cp(OMe)Ir(III)Cl(2)](2) () have been structurally characterized. Treatment of [CpIrCl(2)](2) () with 2-phenylpyridine yields CpIr(III)(ppy)Cl () (ppy = cyclometallated 2-phenylpyridyl) which is readily converted to its iodide and methyl analogues CpIr(III)(ppy)I and CpIr(III)(ppy)Me (). CpIr(III) complexes were also prepared with N-O chelating ligands derived from anthranilic acid (2-aminobenzoic acid) and alpha-aminoisobutyric acid (H(2)NCMe(2)COOH), ligands chosen to be relatively oxidation resistant. These complexes and were reacted with potential two-electron oxidants including PhI(OAc)(2), hexachlorocyclohexadienone (C(6)Cl(6)O), N-fluoro-2,4,6-trimethylpyridinium (Me(3)pyF(+)), [Me(3)O]BF(4) and MeOTf (OTf = triflate, CF(3)SO(3)). Iridium(V) complexes were not observed or implicated in these reactions, despite the similarity of the potential products to known CpIr(V) species. The carbon electrophiles [Me(3)O]BF(4) and MeOTf appear to react preferentially at the N-O ligands, to give methyl esters in some cases. Overall, the results indicate that Cp is not inert under oxidizing conditions and is therefore not a good supporting ligand for oxidizing organometallic complexes.

Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal

PubMed Central

2017-01-01

Hydrogenation reactions can be used to store energy in chemical bonds, and if these reactions are reversible, that energy can be released on demand. Some of the most effective transition metal catalysts for CO2 hydrogenation have featured pyridin-2-ol-based ligands (e.g., 6,6′-dihydroxybipyridine (6,6′-dhbp)) for both their proton-responsive features and for metal–ligand bifunctional catalysis. We aimed to compare bidentate pyridin-2-ol based ligands with a new scaffold featuring an N-heterocyclic carbene (NHC) bound to pyridin-2-ol. Toward this aim, we have synthesized a series of [Cp*Ir(NHC-pyOR)Cl]OTf complexes where R = tBu (1), H (2), or Me (3). For comparison, we tested analogous bipy-derived iridium complexes as catalysts, specifically [Cp*Ir(6,6′-dxbp)Cl]OTf, where x = hydroxy (4Ir) or methoxy (5Ir); 4Ir was reported previously, but 5Ir is new. The analogous ruthenium complexes were also tested using [(η6-cymene)Ru(6,6′-dxbp)Cl]OTf, where x = hydroxy (4Ru) or methoxy (5Ru); 4Ru and 5Ru were both reported previously. All new complexes were fully characterized by spectroscopic and analytical methods and by single-crystal X-ray diffraction for 1, 2, 3, 5Ir, and for two [Ag(NHC-pyOR)2]OTf complexes 6 (R = tBu) and 7 (R = Me). The aqueous catalytic studies of both CO2 hydrogenation and formic acid dehydrogenation were performed with catalysts 1–5. In general, NHC-pyOR complexes 1–3 were modest precatalysts for both reactions. NHC complexes 1–3 all underwent transformations under basic CO2 hydrogenation conditions, and for 3, we trapped a product of its transformation, 3SP, which we characterized crystallographically. For CO2 hydrogenation with base and dxbp-based catalysts, we observed that x = hydroxy (4Ir) is 5–8 times more active than x = methoxy (5Ir). Notably, ruthenium complex 4Ru showed 95% of the activity of 4Ir. For formic acid dehydrogenation, the trends were quite different with catalytic activity showing 4Ir ≫ 4Ru and 4Ir ≈ 5Ir. Secondary coordination sphere effects are important under basic hydrogenation conditions where the OH groups of 6,6′-dhbp are deprotonated and alkali metals can bind and help to activate CO2. Computational DFT studies have confirmed these trends and have been used to study the mechanisms of both CO2 hydrogenation and formic acid dehydrogenation. PMID:29540958

Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal.

PubMed

Siek, Sopheavy; Burks, Dalton B; Gerlach, Deidra L; Liang, Guangchao; Tesh, Jamie M; Thompson, Courtney R; Qu, Fengrui; Shankwitz, Jennifer E; Vasquez, Robert M; Chambers, Nicole; Szulczewski, Gregory J; Grotjahn, Douglas B; Webster, Charles Edwin; Papish, Elizabeth T

2017-03-27

Hydrogenation reactions can be used to store energy in chemical bonds, and if these reactions are reversible, that energy can be released on demand. Some of the most effective transition metal catalysts for CO 2 hydrogenation have featured pyridin-2-ol-based ligands (e.g., 6,6'-dihydroxybipyridine (6,6'-dhbp)) for both their proton-responsive features and for metal-ligand bifunctional catalysis. We aimed to compare bidentate pyridin-2-ol based ligands with a new scaffold featuring an N -heterocyclic carbene (NHC) bound to pyridin-2-ol. Toward this aim, we have synthesized a series of [Cp*Ir(NHC-py OR )Cl]OTf complexes where R = t Bu ( 1 ), H ( 2 ), or Me ( 3 ). For comparison, we tested analogous bipy-derived iridium complexes as catalysts, specifically [Cp*Ir(6,6'-dxbp)Cl]OTf, where x = hydroxy ( 4 Ir ) or methoxy ( 5 Ir ); 4 Ir was reported previously, but 5 Ir is new. The analogous ruthenium complexes were also tested using [(η 6 -cymene)Ru(6,6'-dxbp)Cl]OTf, where x = hydroxy ( 4 Ru ) or methoxy ( 5 Ru ); 4 Ru and 5 Ru were both reported previously. All new complexes were fully characterized by spectroscopic and analytical methods and by single-crystal X-ray diffraction for 1 , 2 , 3 , 5 Ir , and for two [Ag(NHC-py OR ) 2 ]OTf complexes 6 (R = t Bu) and 7 (R = Me). The aqueous catalytic studies of both CO 2 hydrogenation and formic acid dehydrogenation were performed with catalysts 1 - 5 . In general, NHC-py OR complexes 1 - 3 were modest precatalysts for both reactions. NHC complexes 1 - 3 all underwent transformations under basic CO 2 hydrogenation conditions, and for 3 , we trapped a product of its transformation, 3 SP , which we characterized crystallographically. For CO 2 hydrogenation with base and dxbp-based catalysts, we observed that x = hydroxy ( 4 Ir ) is 5-8 times more active than x = methoxy ( 5 Ir ). Notably, ruthenium complex 4 Ru showed 95% of the activity of 4 Ir . For formic acid dehydrogenation, the trends were quite different with catalytic activity showing 4 Ir ≫ 4 Ru and 4 Ir ≈ 5 Ir . Secondary coordination sphere effects are important under basic hydrogenation conditions where the OH groups of 6,6'-dhbp are deprotonated and alkali metals can bind and help to activate CO 2 . Computational DFT studies have confirmed these trends and have been used to study the mechanisms of both CO 2 hydrogenation and formic acid dehydrogenation.

Studies of Gas Turbine Heat Transfer Airfoil Surface and End-Wall.

DTIC Science & Technology

1987-04-01

The nonuniformity 8 of the convex side mainly results from the higher pressure at X/S - 0.43 which might cause the suction side horseshoe vortex to...the toots are available model was chosen. to the authors. Six eses otf lair wed Merle (1961,1962) we also eseeon to Investigate the effects of free

Bovine tuberculosis in Europe from the perspective of an officially tuberculosis free country: Trade, surveillance, and diagnostics

USDA-ARS?s Scientific Manuscript database

Switzerland is officially free of bovine tuberculosis (OTF) since 1960. A mandatory eradication program had been launched in 1950. Since 1980 the control of bovine tuberculosis (bTB) has been reduced to passive abattoir surveillance. Single cases of bTB, partly due to reactivation of human Mycobacte...

Highly regioselective Lewis acid-catalyzed [3+2] cycloaddition of alkynes with donor-acceptor oxiranes by selective carbon-carbon bond cleavage of epoxides.

PubMed

Liu, Renrong; Zhang, Mei; Zhang, Junliang

2011-12-28

A novel, efficient, highly regioselective Sc(OTf)(3)-catalyzed [3+2] cycloaddition of electron-rich alkynes with donor-acceptor oxiranes via highly chemoselective C-C bond cleavage under mild conditions was developed. This journal is © The Royal Society of Chemistry 2011

An Efficient Correction Algorithm for Eliminating Image Misalignment Effects on Co-Phasing Measurement Accuracy for Segmented Active Optics Systems

PubMed Central

Yue, Dan; Xu, Shuyan; Nie, Haitao; Wang, Zongyang

2016-01-01

The misalignment between recorded in-focus and out-of-focus images using the Phase Diversity (PD) algorithm leads to a dramatic decline in wavefront detection accuracy and image recovery quality for segmented active optics systems. This paper demonstrates the theoretical relationship between the image misalignment and tip-tilt terms in Zernike polynomials of the wavefront phase for the first time, and an efficient two-step alignment correction algorithm is proposed to eliminate these misalignment effects. This algorithm processes a spatial 2-D cross-correlation of the misaligned images, revising the offset to 1 or 2 pixels and narrowing the search range for alignment. Then, it eliminates the need for subpixel fine alignment to achieve adaptive correction by adding additional tip-tilt terms to the Optical Transfer Function (OTF) of the out-of-focus channel. The experimental results demonstrate the feasibility and validity of the proposed correction algorithm to improve the measurement accuracy during the co-phasing of segmented mirrors. With this alignment correction, the reconstructed wavefront is more accurate, and the recovered image is of higher quality. PMID:26934045

Investigations of Scope and Mechanism of Nickel-Catalyzed Transformations of Glycosyl Trichloroacetimidates to Glycosyl Trichloroacetamides and Subsequent, Atom-Economical, One-Step Conversion to α-Urea-Glycosides

PubMed Central

McKay, Matthew J.; Park, Nathaniel H.; Nguyen, Hien M.

2014-01-01

The development and mechanistic investigation of a highly stereoselective methodology for preparing α-linked-urea neo-glycoconjugates and pseudo-oligosaccharides is described. This two-step procedure begins with the selective nickel-catalyzed conversion of glycosyl trichloroacetimidates to the corresponding α-trichloroacetamides. The α-selective nature of the conversion is controlled with a cationic nickel(II) catalyst, Ni(dppe)(OTf)2. Mechanistic studies have identified the coordination of the nickel catalyst with the equatorial C2-ether functionality of the α-glycosyl trichloroacetimidate to be paramount for achieving an α-stereoselective transformation. A cross-over experiment has indicated that the reaction does not proceed in an exclusively-intramolecular fashion. The second step in this sequence is the direct conversion of α-glycosyl trichloroacetamide products into the corresponding α-urea glycosides by reacting them with a wide variety of amine nucleophiles in presence of cesium carbonate. Only α-urea-product formation is observed, as the reaction proceeds with complete retention of stereochemical integrity at the anomeric C-N bond. PMID:24905328

Reflectance infrared spectroscopy for in-line monitoring of nicotine during a coating process for an oral thin film.

PubMed

Hammes, Florian; Hille, Thomas; Kissel, Thomas

2014-02-01

A process analytical method using reflectance infrared spectrometry was developed for the in-line monitoring of the amount of the active pharmaceutical ingredient (API) nicotine during a coating process for an oral thin film (OTF). In-line measurements were made using a reflectance infrared (RI) sensor positioned after the last drying zone of the coating line. Real-time spectra from the coating process were used for modelling the nicotine content. Partial least squares (PLS1) calibration models with different data pre-treatments were generated. The calibration model with the most comparable standard error of calibration (SEC) and the standard error of cross validation (SECV) was selected for an external validation run on the production coating line with an independent laminate. Good correlations could be obtained between values estimated from the reflectance infrared data and the reference HPLC test method, respectively. With in-line measurements it was possible to allow real-time adjustments during the production process to keep product specifications within predefined limits hence avoiding loss of material and batch. Copyright © 2013 Elsevier B.V. All rights reserved.

Gold/copper-catalyzed activation of the aci-form of nitromethane in the synthesis of methylene-bridged bis-1,3-dicarbonyl compounds.

PubMed

Balamurugan, Rengarajan; Manojveer, Seetharaman

2011-10-21

Activation of the aci-form of nitromethane using Lewis acids for the attack of carbon nucleophiles was studied. 1,3-Dicarbonyl compounds in the presence of catalytic amounts of AuCl(3) or Cu(OTf)(2) in nitromethane solvent could be converted into methylene-bridged bis-1,3-dicarbonyl compounds.

Ethylene sensing by silver(I) salt-impregnated luminescent films

USDA-ARS?s Scientific Manuscript database

Luminescent oligomer /polymer films impregnated with Ag(I) salts are effective sensors for small gas molecules such as ethylene. Films composed of various Ag(I) salts (i.e. AgBF4, AgSbF6, AgB(C6F5)4, AgClO4 and AgOTf) and polymers (i.e. poly(vinylphenylketone) (PVPK), polystyrene (PS) or oligomers (...

Sulfide Oxidation by O2: Synthesis, Structure and Reactivity of Novel Sulfide-Incorporated Fe(II) Bis(imino)pyridine Complexes

PubMed Central

Widger, Leland R.; Siegler, Maxime A.

2013-01-01

The unsymmetrical iron(II) bis(imino)pyridine complexes [FeII(LN3SMe)(H2O)3](OTf)2 (1), and [FeII(LN3SMe)Cl2] (2) were synthesized and their reactivity with O2 was examined. Complexes 1 and 2 were characterized by single crystal X-ray crystallography, LDI-MS, 1H-NMR and elemental analysis. The LN3SMe ligand was designed to incorporate a single sulfide donor and relies on the bis(imino)pyridine scaffold. This scaffold was selected for its ease of synthesis and its well-precedented ability to stabilize Fe(II) ions. Complexes 1 and 2 ware prepared via a metal-assisted template reaction from the unsymmetrical pyridyl ketone precursor 2-(O=CMe)-6-(2,6-(iPr2-C6H3N=CMe)-C5H3N. Reaction of 1 with O2 was shown to afford the S-oxygenated sulfoxide complex [Fe(LN3S(O)Me)(OTf)]2+(3), whereas compound 2, under the same reaction conditions, afforded the corresponding sulfone complex [Fe(LN3S(O2)Me)Cl]2+ (4). PMID:23878411

Copper-catalyzed oxidative Heck reactions between alkyltrifluoroborates and vinyl arenes.

PubMed

Liwosz, Timothy W; Chemler, Sherry R

2013-06-21

We report herein that potassium alkyltrifluoroborates can be utilized in oxidative Heck-type reactions with vinyl arenes. The reaction is catalyzed by a Cu(OTf)2/1,10-phenanthroline with MnO2 as the stoichiometric oxidant. In addition to the alkyl Heck, amination, esterification, and dimerization reactions of alkyltrifluoroborates are demonstrated under analogous reaction conditions. Evidence for an alkyl radical intermediate is presented.

AEDC Sensor T&E Methodology

DTIC Science & Technology

1995-07-01

designated pixel. OTF analysis will be similar to the analysis discussed previously. Any nonuniformity in the response of the chosen pixel to the...not seen by the trace. Nonuniformity of the pixel response must be also be taken into account. Background measurements of the maximum and minimum...to the background field of regard. To incorporate and support interactive CLDWSG operation and to accommodate simulation of nonuniform anisoplanatic

OTF CCSDS Mission Operations Prototype. Directory and Action Service. Phase I: Exit Presentation

NASA Technical Reports Server (NTRS)

Reynolds, Walter F.; Lucord, Steven A.; Stevens, John E.

2009-01-01

This slide presentation describes the phase I directory and action service prototype for the CCSDS system. The project goals are to: (1) Demonstrate the use of Mission Operations standards to implement Directory and Action Services (2) Investigate Mission Operations language neutrality (3) Investigate C3I XML interoperability concepts (4) Integrate applicable open source technologies in a Service Oriented Architecture

CCSDS Spacecraft Monitor and Control Mission Operations Interoperability Prototype

NASA Technical Reports Server (NTRS)

Lucord, Steve; Martinez, Lindolfo

2009-01-01

We are entering a new era in space exploration. Reduced operating budgets require innovative solutions to leverage existing systems to implement the capabilities of future missions. Custom solutions to fulfill mission objectives are no longer viable. Can NASA adopt international standards to reduce costs and increase interoperability with other space agencies? Can legacy systems be leveraged in a service oriented architecture (SOA) to further reduce operations costs? The Operations Technology Facility (OTF) at the Johnson Space Center (JSC) is collaborating with Deutsches Zentrum fur Luft- und Raumfahrt (DLR) to answer these very questions. The Mission Operations and Information Management Services Area (MOIMS) Spacecraft Monitor and Control (SM&C) Working Group within the Consultative Committee for Space Data Systems (CCSDS) is developing the Mission Operations standards to address this problem space. The set of proposed standards presents a service oriented architecture to increase the level of interoperability among space agencies. The OTF and DLR are developing independent implementations of the standards as part of an interoperability prototype. This prototype will address three key components: validation of the SM&C Mission Operations protocol, exploration of the Object Management Group (OMG) Data Distribution Service (DDS), and the incorporation of legacy systems in a SOA. The OTF will implement the service providers described in the SM&C Mission Operation standards to create a portal for interaction with a spacecraft simulator. DLR will implement the service consumers to perform the monitor and control of the spacecraft. The specifications insulate the applications from the underlying transport layer. We will gain experience with a DDS transport layer as we delegate responsibility to the middleware and explore transport bridges to connect disparate middleware products. A SOA facilitates the reuse of software components. The prototype will leverage the capabilities of existing legacy systems. Various custom applications and middleware solutions will be combined into one system providing the illusion of a set of homogenous services. This paper will document our journey as we implement the interoperability prototype. The team consists of software engineers with experience on the current command, telemetry and messaging systems that support the International Space Station (ISS) and Space Shuttle programs. Emphasis will be on the objectives, results and potential cost saving benefits.

Synthesis of Ruthenium Carbonyl Complexes with Phosphine or Substituted Cp Ligands, and Their Activity in the Catalytic Deoxygenation of 1,2-Propanediol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Prasenjit; Fagan, Paul J.; Marshall, William J.

2009-07-20

A ruthenium hydride with a bulky substituted Cp ligand, (CpiPr4)Ru(CO)2H (CpiPr4 = C5(i-C3H7)4H) was prepared from the reaction of Ru3(CO)12 with 1,2,3,4-tetraisopropylcyclopentadiene. The molecular structure of (CpiPr4)Ru(CO)2H was determined by x-ray crystallography. The ruthenium hydride complex (C5Bz5)Ru(CO)2H (Bz = CH2Ph) was similarly prepared. The Ru-Ru bonded dimer, [(1,2,3-trimethylindenyl)Ru(CO)2]2, was produced from the reaction of 1,2,3-trimethylindene with Ru3(CO)12, and protonation of this dimer with HOTf gives {[(1,2,3-trimethylindenyl)Ru(CO)2]2(μ H)}+OTf –. A series of ruthenium hydride complexes CpRu(CO)(L)H [L = P(OPh)3, PCy3, PMe3, P(p C6H4F)3] were prepared by reaction of Cp(CO)2RuH with added L. Protonation of (CpiPr4)Ru(CO)2H, Cp*Ru(CO)2H or CpRu(CO)[P(OPh)3]H by HOTf 80more » °C led to equilibria with the cationic dihydrogen complexes, but H2 was released at higher temperatures. Protonation of CpRu[P(OPh)3]2H with HOTf gave an observable dihydrogen complex, {CpRu[P(OPh)3]2(η2 H2)}+OTf – that was converted at -20 °C to the dihydride complex {CpRu[P(OPh)3]2(H)2}+OTf –. These Ru complexes serve as catalyst precursors for the catalytic deoxygenation of 1,2-propanediol to give n-propanol. The catalytic reactions were carried out in sulfolane solvent with added HOTf under H2 (750 psi) at 110 °C. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for DOE.« less

Turning on the protonation-first pathway for electrocatalytic CO 2 reduction by manganese bipyridyl tricarbonyl complexes

DOE PAGES

Ngo, Ken T.; McKinnon, Meaghan; Mahanti, Bani; ...

2017-01-24

Electrocatalytic reduction of CO 2 to CO is reported for the complex, { fac-Mn I([(MeO) 2Ph] 2bpy)(CO) 3(CH 3CN)}(OTf), containing four pendant methoxy groups, where [(MeO) 2Ph] 2bpy = 6,6'-bis(2,6-dimethoxyphenyl)-2,2'-bipyridine. In addition to a steric influence similar to that previously established for the 6,6'-dimesityl-2,2'-bipyridine ligand in [ fac-MnI(mes 2bpy)(CO) 3(CH 3CN)](OTf), which prevents Mn 0–Mn 0 dimerization, the [(MeO) 2Ph] 2bpy ligand introduces an additional electronic influence combined with a weak allosteric hydrogen-bonding interaction that significantly lowers the activation barrier for C–OH bond cleavage from the metallocarboxylic acid intermediate. This provides access to the thus far elusive protonation-first pathway, minimizingmore » the required overpotential for electrocatalytic CO 2 to CO conversion by Mn(I) polypyridyl catalysts, while concurrently maintaining a respectable turnover frequency. Comprehensive electrochemical and computational studies here confirm the positive influence of the [(MeO) 2Ph] 2bpy ligand framework on electrocatalytic CO 2 reduction and its dependence upon the concentration and p K a of the external Bronsted acid proton source (water, methanol, trifluoroethanol, and phenol) that is required for this class of manganese catalyst. Linear sweep voltammetry studies show that both phenol and trifluoroethanol as proton sources exhibit the largest protonation-first catalytic currents in combination with { fac-Mn I([(MeO) 2Ph] 2bpy)(CO) 3(CH 3CN)}(OTf), saving up to 0.55 V in overpotential with respect to the thermodynamically demanding reduction-first pathway, while bulk electrolysis studies confirm a high product selectivity for CO formation. As a result, to gain further insight into catalyst activation, time-resolved infrared (TRIR) spectroscopy combined with pulse-radiolysis (PR-TRIR), infrared spectroelectrochemistry, and density functional theory calculations were used to establish the v(CO) stretching frequencies and energetics of key redox intermediates relevant to catalyst activation.« less

Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes

PubMed Central

Widger, Leland R.; Jiang, Yunbo; Siegler, Maxime; Kumar, Devesh; Latifi, Reza; de Visser, Sam P.; Jameson, Guy N.L.; Goldberg, David P.

2013-01-01

The known iron(II) complex [FeII(LN3S)(OTf)] (1) was used as starting material to prepare the new biomimetic (N4S(thiolate)) iron(II) complexes [FeII(LN3S)(py)](OTf) (2) and [FeII(LN3S)(DMAP)](OTf) (3), where LN3S is a tetradentate bis(imino)pyridine (BIP) derivative with a covalently tethered phenylthiolate donor. These complexes were characterized by X-ray crystallography, UV-vis, 1H NMR, and Mössbauer spectroscopy, as well as electrochemistry. A nickel(II) analogue, [NiII(LN3S)](BF4) (5), was also synthesized and characterized by structural and spectroscopic methods. Cyclic voltammetric studies showed 1 – 3 and 5 undergo a single reduction process with E1/2 between −0.9 to −1.2 V versus Fc+/Fc. Treatment of 3 with 0.5% Na/Hg amalgam gave the mono-reduced complex [Fe(LN3S)(DMAP)]0 (4), which was characterized by X-ray crystallography, UV-vis, EPR (g = [2.155, 2.057, 2.038]) and Mössbauer (δ = 0.33 mm s−1; ΔEQ = 2.04 mm s−1) spectroscopies. Computational methods (DFT) were employed to model complexes 3 – 5. The combined experimental and computational studies show that 1 – 3 are 5-coordinate, high-spin (S = 2) FeII complexes, whereas 4 is best described as a 5-coordinate, intermediate-spin (S = 1) FeII complex antiferromagnetically coupled to a ligand radical. This unique electronic configuration leads to an overall doublet spin (Stotal = ½) ground state. Complexes 2 and 3 are shown to react with O2 to give S-oxygenated products, as previously reported for 1. In contrast, the mono-reduced 4 appears to react with O2 to give a mixture of S- and Fe-oxygenates. The nickel(II) complex 5 does not react with O2, and even when the mono-reduced nickel complex is produced, it appears to undergo only outer-sphere oxidation with O2. PMID:23992096

Laser scanning saturated structured illumination microscopy based on phase modulation

NASA Astrophysics Data System (ADS)

Huang, Yujia; Zhu, Dazhao; Jin, Luhong; Kuang, Cuifang; Xu, Yingke; Liu, Xu

2017-08-01

Wide-field saturated structured illumination microscopy has not been widely used due to the requirement of high laser power. We propose a novel method called laser scanning saturated structured illumination microscopy (LS-SSIM), which introduces high order of harmonics frequency and greatly reduces the required laser power for SSIM imaging. To accomplish that, an excitation PSF with two peaks is generated and scanned along different directions on the sample. Raw images are recorded cumulatively by a CCD detector and then reconstructed to form a high-resolution image with extended optical transfer function (OTF). Our theoretical analysis and simulation results show that LS-SSIM method reaches a resolution of 0.16 λ, equivalent to 2.7-fold resolution than conventional wide-field microscopy. In addition, LS-SSIM greatly improves the optical sectioning capability of conventional wide-field illumination system by diminishing our-of-focus light. Furthermore, this modality has the advantage of implementation in multi-photon microscopy with point scanning excitation to image samples in greater depths.

Easy access to fully functionalized chiral tetrahydro-β-carboline alkaloids.

PubMed

Arai, Takayoshi; Wasai, Makiko; Yokoyama, Naota

2011-04-15

A four-step synthetic route to fully substituted chiral tetrahydro-β-carbolines (THBCs) is described. Starting from the (R,S,S)-Friedel-Crafts/Henry adduct obtained from three-component coupling of an indole, nitroalkene, and aldehyde catalyzed by imidazoline-aminophenol-CuOTf, the (1S,3S,4R)-THBCs were readily synthesized in a three-step operation including reduction of the nitro-functionality and Pictet-Spengler cyclization.

Measuring Angular Rate of Celestial Objects Using the Space Surveillance Telescope

DTIC Science & Technology

2015-03-01

is not subject to copyright protection in the United States. AFIT-ENG-MS-15-M-019 MEASURING ANGULAR RATE OF CELESTIAL OBJECTS USING THE SPACE ...Hypothesis Test MHTOR Multi-Hypothesis Test with Outlier Removal NEAs Near Earth Asteroids NASA National Aeronautics and Space Administration OTF...capabilities to warfighters, protecting them from collision with space debris, meteors and microsatellites has become a top priority [19]. In general, EO

Copper(II)-catalyzed oxidative N-nitrosation of secondary and tertiary amines with nitromethane under an oxygen atmosphere.

PubMed

Sakai, Norio; Sasaki, Minoru; Ogiwara, Yohei

2015-07-25

The combination of a catalytic amount of Cu(OTf)2 and less than a stoichiometric amount of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) under an O2 atmosphere effectively promoted the N-nitrosation of both secondary aromatic/aliphatic amines and tertiary aromatic amines with nitromethane (CH3NO2) leading to the preparation of N-nitrosamine derivatives.

Microgravity

NASA Image and Video Library

1995-10-20

Payload specialist Fred Leslie makes use of the versatile U.S. Microgravity Laboratory (USML-2) glovebox to conduct an investigation with the Oscillatory Thermocapillary Flow Experiment (OTFE). This complement of the Surface-Tension-Driven Convection Experiment (STDCE) studies the shapes that fluid surfaces in weightless environments assume within specific containers. Leslie was one of two guest researchers who joined five NASA astronauts for 16 days of on Earth-orbit research in support of USML-2.

OTF CCSDS Mission Operations Prototype Parameter Service. Phase I: Exit Presentation

NASA Technical Reports Server (NTRS)

Reynolds, Walter F.; Lucord, Steven A.; Stevens, John E.

2009-01-01

This slide presentation reviews the prototype of phase 1 of the parameter service design of the CCSDS mission operations. The project goals are to: (1) Demonstrate the use of Mission Operations standards to implement the Parameter Service (2) Demonstrate interoperability between Houston MCC and a CCSDS Mission Operations compliant mission operations center (3) Utilize Mission Operations Common Architecture. THe parameter service design, interfaces, and structures are described.

Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.

PubMed

Wu, Xinyuan; Huang, Tao; Lekich, Travis T; Sommer, Roger D; Weare, Walter W

2015-06-01

Heterobimetallic complexes composed only of first-row transition metals [(TMTAA)V(IV)═O→M(II)Py5Me2](OTf)2 (TMTAA = 7,16-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecine; Py5Me2 = 2,6-bis(1,1-bis(2-pyridyl)ethyl)pyridine; M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II); OTf = trifluoromethanesulfonate) have been synthesized through a dative interaction between a terminal oxido and M(II) metal centers. This is the first series of V(IV)═O→M(II) heterobimetallic complexes containing an unsupported oxido bridge. Among these five complexes, only V(IV)═O→Fe(II) (3b) has a clear new absorption band upon formation of the dinuclear species (502 nm, ε = 1700 M(-1) cm(-1)). This feature is assigned to a metal-to-metal charge transfer (MMCT) transition from V(IV) to Fe(II), which forms a V(V)-O-Fe(I) excited state. This assignment is supported by electrochemical data, electronic absorption profiles, and resonance Raman spectroscopy and represents the first report of visible-light induced MMCT in a heterobimetallic oxido-bridged molecule where the electron originates on a d(1) metal center.

Selective and eco-friendly procedures for the synthesis of benzimidazole derivatives. The role of the Er(OTf)3 catalyst in the reaction selectivity

PubMed Central

Herrera Cano, Natividad; Uranga, Jorge G; Nardi, Mónica; Procopio, Antonio; Wunderlin, Daniel A

2016-01-01

An improved and greener protocol for the synthesis of benzimidazole derivatives, starting from o-phenylenediamine, with different aldehydes is reported. Double-condensation products were selectively obtained when Er(OTf)3 was used as the catalyst in the presence of electron-rich aldehydes. Conversely, the formation of mono-condensation products was the preferred path in absence of this catalyst. One of the major advantages of these reactions was the formation of a single product, avoiding extensive isolation and purification of products, which is frequently associated with these reactions. Theoretical calculations helped to understand the different reactivity established for these reactions. Thus, we found that the charge density on the oxygen of the carbonyl group has a significant impact on the reaction pathway. For instance, electron-rich aldehydes better coordinate to the catalyst, which favours the addition of the amine group to the carbonyl group, therefore facilitating the formation of double-condensation products. Reactions with aliphatic or aromatic aldehydes were possible, without using organic solvents and in a one-pot procedure with short reaction time (2–5 min), affording single products in excellent yields (75–99%). This convenient and eco-friendly methodology offers numerous benefits with respect to other protocols reported for similar compounds. PMID:28144309

On-the-fly ab initio semiclassical dynamics: Emission spectra of oligothiophenes

NASA Astrophysics Data System (ADS)

Wehrle, Marius; Sulc, Miroslav; Vanicek, Jiri

2014-03-01

We employ the thawed Gaussian approximation (TGA) [E. J. Heller, J. Chem. Phys. 62, 1544 (1975)] within an on-the-fly ab initio (OTF-AI) scheme to calculate the vibrationally resolved emission spectra of oligothiophenes up to five rings. OTF-AI-TGA is efficient enough to treat all vibrational degrees of freedom on an equal footing even in case of 5-oligothiophene (105 vibrational degrees of freedom), thus obviating the need for the crude global harmonic approximation, popular for large system. The experimental emission spectra have been almost perfectly reproduced. In order to provide a deeper insight into the associated physical and chemical processes, we present a systematic approach to assess the importance and to analyze the mutual coupling of individual vibrational degrees of freedom during the dynamics. This allows us to explain the changes in the vibrational line shapes of the oligothiophenes with increasing number of rings. Furthermore, we observe the dynamical interplay between quinoid and aromatic characters of individual rings in the oligothiophene chain during the dynamics and confirm that the quinoid character prevails in the center of the chain. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.

Selective and eco-friendly procedures for the synthesis of benzimidazole derivatives. The role of the Er(OTf)3 catalyst in the reaction selectivity.

PubMed

Herrera Cano, Natividad; Uranga, Jorge G; Nardi, Mónica; Procopio, Antonio; Wunderlin, Daniel A; Santiago, Ana N

2016-01-01

An improved and greener protocol for the synthesis of benzimidazole derivatives, starting from o -phenylenediamine, with different aldehydes is reported. Double-condensation products were selectively obtained when Er(OTf) 3 was used as the catalyst in the presence of electron-rich aldehydes. Conversely, the formation of mono-condensation products was the preferred path in absence of this catalyst. One of the major advantages of these reactions was the formation of a single product, avoiding extensive isolation and purification of products, which is frequently associated with these reactions. Theoretical calculations helped to understand the different reactivity established for these reactions. Thus, we found that the charge density on the oxygen of the carbonyl group has a significant impact on the reaction pathway. For instance, electron-rich aldehydes better coordinate to the catalyst, which favours the addition of the amine group to the carbonyl group, therefore facilitating the formation of double-condensation products. Reactions with aliphatic or aromatic aldehydes were possible, without using organic solvents and in a one-pot procedure with short reaction time (2-5 min), affording single products in excellent yields (75-99%). This convenient and eco-friendly methodology offers numerous benefits with respect to other protocols reported for similar compounds.

β-NMR measurements of molecular-scale lithium-ion dynamics in poly(ethylene oxide)-lithium-salt thin films

NASA Astrophysics Data System (ADS)

McKenzie, Iain; Cortie, David L.; Harada, Masashi; Kiefl, Robert F.; Levy, C. D. Philip; MacFarlane, W. Andrew; McFadden, Ryan M. L.; Morris, Gerald D.; Ogata, Shin-Ichi; Pearson, Matthew R.; Sugiyama, Jun

2017-06-01

β -detected NMR (β -NMR) has been used to study the molecular-scale dynamics of lithium ions in thin films of poly(ethylene oxide) (PEO) containing either lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) or lithium trifluoroacetate (LiTFA) salts at monomer-to-salt ratios (EO/Li) of 8.3. The results are compared with previous β -NMR measurements on pure PEO and PEO with lithium triflate (LiOTf) at the same loading [McKenzie et al., J. Am. Chem. Soc. 136, 7833 (2014)]. Activated hopping of 8Li+ was observed in all of the films above ˜250 K, with the hopping parameters strongly correlated with the ionicity of the lithium salt rather than the polymer glass transition temperature. The pre-exponential factor increases exponentially with ionicity, while the activation energy for hopping increases approximately linearly, going from 6.3 ±0.2 kJ mol-1 in PEO:LiTFA to 17.8 ±0.2 kJ mol-1 in PEO:LiTFSI. The more rapid increase in the pre-exponential factor outweighs the effect of the larger activation energy and results in 8Li+ hopping being fastest in PEO followed by PEO:LiTFSI, PEO:LiOTf, and PEO:LiTFA.

β-NMR measurements of molecular-scale lithium-ion dynamics in poly(ethylene oxide)-lithium-salt thin films.

PubMed

McKenzie, Iain; Cortie, David L; Harada, Masashi; Kiefl, Robert F; Levy, C D Philip; MacFarlane, W Andrew; McFadden, Ryan M L; Morris, Gerald D; Ogata, Shin-Ichi; Pearson, Matthew R; Sugiyama, Jun

2017-06-28

β-detected NMR (β-NMR) has been used to study the molecular-scale dynamics of lithium ions in thin films of poly(ethylene oxide) (PEO) containing either lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) or lithium trifluoroacetate (LiTFA) salts at monomer-to-salt ratios (EO/Li) of 8.3. The results are compared with previous β-NMR measurements on pure PEO and PEO with lithium triflate (LiOTf) at the same loading [McKenzie et al., J. Am. Chem. Soc. 136, 7833 (2014)]. Activated hopping of 8 Li + was observed in all of the films above ∼250 K, with the hopping parameters strongly correlated with the ionicity of the lithium salt rather than the polymer glass transition temperature. The pre-exponential factor increases exponentially with ionicity, while the activation energy for hopping increases approximately linearly, going from 6.3±0.2 kJ mol -1 in PEO:LiTFA to 17.8±0.2 kJ mol -1 in PEO:LiTFSI. The more rapid increase in the pre-exponential factor outweighs the effect of the larger activation energy and results in 8 Li + hopping being fastest in PEO followed by PEO:LiTFSI, PEO:LiOTf, and PEO:LiTFA.

Measuring Close Binary Stars with Speckle Interferometry

DTIC Science & Technology

2014-09-01

extra effort to be measured. One method of observing such binary star systems is to use adaptive optics to correct the atmospheric blur in real-time...simplicity, and with no loss in generalization, this analysis will be reduced to one dimension . From equation (4), it can be seen that the frequency (u...the binary pair are systematically too large , due to the displacement of the minima of the fringes by the atmospheric OTF, when left uncorrected

Microgravity

NASA Image and Video Library

1991-04-17

Oscillatory Thermocapillary Flow Experiment (OTFE); by using silicone oil for a study on the characteristics of themocapillary flow during the onset of oscillations with particular attention to parameters; the experiment will use submerged heaters to provide a constant temperature source in open cylindrical containers to cause thermocapillary flows. Thermocouples located in the heaters, the container walls, and the fluid will monitor the temperatures in the apparatus. Tracer particles will be added to the silicone oil sample to allow observation of the flow.

Ligand-bridged dinuclear cyclometalated Ir(III) complexes: from metallamacrocycles to discrete dimers.

PubMed

Chandrasekhar, Vadapalli; Hajra, Tanima; Bera, Jitendra K; Rahaman, S M Wahidur; Satumtira, Nisa; Elbjeirami, Oussama; Omary, Mohammad A

2012-02-06

Metallamacrocycles 1, 2, and 3 of the general formula [{Ir(ppy)(2)}(2)(μ-BL)(2)](OTf)(2) (ppyH = 2-phenyl pyridine; BL = 1,2-bis(4-pyridyl)ethane (bpa) (1), 1,3-bis(4-pyridyl)propane (bpp) (2), and trans-1,2-bis(4-pyridyl)ethylene (bpe) (3)) have been synthesized by the reaction of [{(ppy)(2)Ir}(2)(μ-Cl)(2)], first with AgOTf to effect dechlorination and later with various bridging ligands. Open-frame dimers [{Ir(ppy)(2)}(2)(μ-BL)](OTf)(2) were obtained in a similar manner by utilizing N,N'-bis(2-pyridyl)methylene-hydrazine (abp) and N,N'-(bis(2-pyridyl)formylidene)ethane-1,2-diamine (bpfd) (for compounds 4 and 5, respectively) as bridging ligands. Molecular structures of 1, 3, 4, and 5 were established by X-ray crystallography. Cyclic voltammetry experiments reveal weakly interacting "Ir(ppy)(2)" units bridged by ethylene-linked bpe ligand in 3; on the contrary the metal centers are electronically isolated in 1 and 2 where the bridging ligands are based on ethane and propane linkers. The dimer 4 exhibits two accessible reversible reduction couples separated by 570 mV indicating the stability of the one-electron reduced species located on the diimine-based bridge abp. The "Ir(ppy)(2)" units in compound 5 are noninteracting as the electronic conduit is truncated by the ethane spacer in the bpfd bridge. The dinuclear compounds 1-5 show ligand centered (LC) transitions involving ppy ligands and mixed metal to ligand/ligand to ligand charge transfer (MLCT/LLCT) transitions involving both the cyclometalating ppy and bridging ligands (BL) in the UV-vis spectra. For the conjugated bridge bpe in compound 3 and abp in compound 4, the lowest-energy charge-transfer absorptions are red-shifted with enhanced intensity. In accordance with their similar electronic structures, compounds 1 and 2 exhibit identical emissions. The presence of vibronic structures in these compounds indicates a predominantly (3)LC excited states. On the contrary, broad and unstructured phosphorescence bands in compounds 3-5 strongly suggest emissive states of mixed (3)MLCT/(3)LLCT character. Density functional theory (DFT) calculations have been carried out to gain insight on the frontier orbitals, and to rationalize the electrochemical and photophysical properties of the compounds based on their electronic structures.

Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.

PubMed

Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann

2014-03-21

Stable germanium(II) and lead(II) amido complexes {LO(i)}M(N(SiMe3)2) (M = Ge(II), Pb(II)) bearing amino(ether)phenolate ligands are readily available using the proteo-ligands {LO(i)}H of general formula 2-CH2NR2-4,6-tBu2-C6H2OH (i = 1, NR2 = N((CH2)2OCH3)2; i = 2, NR2 = NEt2; i = 3, NR2 = aza-15-crown-5) and M(N(SiMe3)2)2 precursors. The molecular structures of these germylenes and plumbylenes, as well as those of {LO(3)}GeCl, {LO(3)}SnCl and of the congeneric {LO(4)}Sn(II)(N(SiMe3)2) where NR2 = aza-12-crown-4, have been determined crystallographically. All complexes are monomeric, with 3-coordinate metal centres. The phenolate systematically acts as a N^O(phenolate) bidentate ligand, with no interactions between the metal and the O(side-arm) atoms in these cases (for {LO(1)}(-), {LO(3)}(-) and {LO(4)}(-)) where they could potentially arise. For each family, the lone pair of electrons essentially features ns(2) character, and there is little, if any, hybridization of the valence orbitals. Heterobimetallic complexes {LO(3)}M(N(SiMe3)2)·LiOTf, where the Li(+) cation sits inside the tethered crown-ether, were prepared by reaction of {LO(3)}M(N(SiMe3)2) and LiOTf (M = Ge(II), Sn(II)). The inclusion of Li(+) (featuring a close contact with the triflate anion) in the macrocycle bears no influence on the coordination sphere of the divalent tetrel element. In association with iPrOH, the amido germylenes, stannylenes and plumbylenes catalyse the controlled polymerisation of L- and racemic lactide. The activity increases linearly according to Ge(II) ≪ Sn(II) ≪ Pb(II). The simple germylenes generate very sluggish catalysts, but the activity is significantly boosted if the heterobimetallic complex {LO(3)}Ge(N(SiMe3)2)·LiOTf is used instead. On the other hand, with 10-25 equiv. of iPrOH, the plumbylenes afford highly active binary catalysts, converting 1000 or 5000 equiv. of monomer at 60 °C within 3 or 45 min, respectively, in a controlled fashion.

Earthquake Scaling Relations

NASA Astrophysics Data System (ADS)

Jordan, T. H.; Boettcher, M.; Richardson, E.

2002-12-01

Using scaling relations to understand nonlinear geosystems has been an enduring theme of Don Turcotte's research. In particular, his studies of scaling in active fault systems have led to a series of insights about the underlying physics of earthquakes. This presentation will review some recent progress in developing scaling relations for several key aspects of earthquake behavior, including the inner and outer scales of dynamic fault rupture and the energetics of the rupture process. The proximate observations of mining-induced, friction-controlled events obtained from in-mine seismic networks have revealed a lower seismicity cutoff at a seismic moment Mmin near 109 Nm and a corresponding upper frequency cutoff near 200 Hz, which we interpret in terms of a critical slip distance for frictional drop of about 10-4 m. Above this cutoff, the apparent stress scales as M1/6 up to magnitudes of 4-5, consistent with other near-source studies in this magnitude range (see special session S07, this meeting). Such a relationship suggests a damage model in which apparent fracture energy scales with the stress intensity factor at the crack tip. Under the assumption of constant stress drop, this model implies an increase in rupture velocity with seismic moment, which successfully predicts the observed variation in corner frequency and maximum particle velocity. Global observations of oceanic transform faults (OTFs) allow us to investigate a situation where the outer scale of earthquake size may be controlled by dynamics (as opposed to geologic heterogeneity). The seismicity data imply that the effective area for OTF moment release, AE, depends on the thermal state of the fault but is otherwise independent of fault's average slip rate; i.e., AE ~ AT, where AT is the area above a reference isotherm. The data are consistent with β = 1/2 below an upper cutoff moment Mmax that increases with AT and yield the interesting scaling relation Amax ~ AT1/2. Taken together, the OTF relations imply that the seismic productivity for small earthquakes (frequency per unit area) should scale as AT-1/4, which we verify using seismicity catalogs based on both surface-wave and body-wave magnitude. These scaling relations place fundamental constraints on the dynamics of strike-slip faulting on the mid-ocean ridge system.

Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies† †Electronic supplementary information (ESI) available: Further details of crystallographic studies, thermogravimetric analyses, Raman spectroscopy. CCDC 1401250–1401256. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01801c Click here for additional data file. Click here for additional data file.

PubMed Central

Thorp-Greenwood, Flora L.; Ronson, Tanya K.

2015-01-01

The cyclotriveratrylene-type ligands (±)-tris(iso-nicotinoyl)cyclotriguaiacylene L1 (±)-tris(4-pyridylmethyl)cyclotriguaiacylene L2 and (±)-tris{4-(4-pyridyl)benzyl}cyclotriguaiacylene L3 all feature 4-pyridyl donor groups and all form coordination polymers with CuI and/or CuII cations that show a remarkable range of framework topologies and structures. Complex [CuI 4CuII 1.5(L1)3(CN)6]·CN·n(DMF) 1 features a novel 3,4-connected framework of cyano-linked hexagonal metallo-cages. In complexes [Cu3(L2)4(H2O)3]·6(OTf)·n(DMSO) 2 and [Cu2(L3)2Br2(H2O)(DMSO)]·2Br·n(DMSO) 3 capsule-like metallo-cryptophane motifs are formed which linked through their metal vertices into a hexagonal 2D network of (43.123)(42.122) topology or a coordination chain. Complex [Cu2(L1)2(OTf)2(NMP)2(H2O)2]·2(OTf)·2NMP 4 has an interpenetrating 2D 3,4-connected framework of (4.62.8)(62.8)(4.62.82) topology with tubular channels. Complex [Cu(L1)(NCMe)]·BF4·2(CH3CN)·H2O 5 features a 2D network of 63 topology while the CuII analogue [Cu2(L1)2(NMP)(H2O)]·4BF4·12NMP·1.5H2O 6 has an interpenetrating (10,3)-b type structure and complex [Cu2(L2)2Br3(DMSO)]·Br·n(DMSO) 7 has a 2D network of 4.82 topology. Strategies for formation of coordination polymers with hierarchical spaces emerge in this work and complex 2 is shown to absorb fullerene-C60 through soaking the crystals in a toluene solution. PMID:28791086

A new macrocyclic terbium(III) complex for use in RNA footprinting experiments

PubMed Central

Belousoff, Matthew J.; Ung, Phuc; Forsyth, Craig M.; Tor, Yitzhak; Spiccia, Leone; Graham, Bim

2009-01-01

Reaction of terbium triflate with a heptadentate ligand derivative of cyclen, L1 = 2-[7-ethyl-4,10-bis(isopropylcarbamoylmethyl)-1,4,7,10-tetraazacyclododec-1-yl]-N-isopropylacetamide, produced a new synthetic ribonuclease, [Tb(L1)(OTf)(OH2)](OTf)2·MeCN (C1). X-ray crystal structure analysis indicates that the terbium(III) centre in C1 is 9-coordinate, with a capped square-antiprism geometry. Whilst the terbium(III) center is tightly bound by the L1 ligand, two of the coordination sites are occupied by labile water and triflate ligands. In water, the triflate ligand is likely to be displaced, forming [Tb(L1)(OH2)2]3+, which is able to effectively promote RNA cleavage. This complex greatly accelerates the rate of intramolecular transesterification of an activated model RNA phosphodiester, uridine-3′-p-nitrophenylphosphate (UpNP), with kobs = 5.5(1) × 10-2 s-1 at 21°C and pH 7.5, corresponding to an apparent second-order rate constant of 277(5) M-1s-1. By contrast, the analogous complex of an octadentate derivative of cyclen featuring only a single labile coordination site, [Tb(L2)(OH2)](OTf)3 (C2), where L2 = 2-[4,7,10-tris(isopropylcarbamoylmethyl)-1,4,7,10-tetraazacyclododec-1-yl]-N-isopropyl-acetamide, is inactive. [Tb(L1)(OH2)2]3+ is also capable of hydrolyzing short transcripts of the HIV-1 transactivation response (TAR) element, HIV-1 dimerization initiation site (DIS) and ribosomal A-site, as well as formyl methionine transfer RNA (tRNAfMet), albeit at a considerably slower rate than UpNP transesterification (kobs = 2.78(8) × 10-5 M-1s-1 for TAR cleavage at 37°C, pH 6.5, corresponding to an apparent second-order rate constant of 0.56(2) M-1s-1). Cleavage is concentrated at the single-stranded “bulge” regions of these RNA motifs. Exploiting this selectivity, [Tb(L1)(OH2)23+ was successfully employed in footprinting experiments, in which binding of the Tat peptide and neomycin B to the bulge region of the TAR stem-loop was confirmed. PMID:19119812

Synthesis of Ruthenium Carbonyl Complexes with Phosphine or Substituted Cp Ligands, and Their Activity in the Catalytic Deoxygenation of 1,2-Propanediol

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bullock, R.M.; Ghosh, P.; Fagan, P.J.

2009-07-20

A ruthenium hydride with a bulky tetra-substituted Cp ligand, (Cp{sup iPr{sub 4}})Ru(CO){sub 2}H (Cp{sup iPr{sub 4}} = C{sub 5}(i-C{sub 3}H{sub 7}){sub 4}H) was prepared from the reaction of Ru{sub 3}(CO){sub 12} with 1,2,3,4-tetraisopropylcyclopentadiene. The molecular structure of (Cp{sup iPr{sub 4}})Ru(CO){sub 2}H was determined by X-ray crystallography. The ruthenium hydride complex (C{sub 5}Bz{sub 5})Ru(CO){sub 2}H (Bz = CH{sub 2}Ph) was similarly prepared. The Ru-Ru bonded dimer, [(1,2,3-trimethylindenyl)Ru(CO){sub 2}]{sub 2}, was produced from the reaction of 1,2,3-trimethylindene with Ru{sub 3}(CO){sub 12}, and protonation of this dimer with HOTf gives {l_brace}[(1,2,3-trimethylindenyl)Ru(CO){sub 2}]{sub 2}-({mu}-H){r_brace}{sup +}OTf{sup -}. A series of ruthenium hydride complexes CpRu(CO)(L)H [Lmore » = P(OPh){sub 3}, PCy{sub 3}, PMe{sub 3}, P(p-C{sub 6}H{sub 4}F){sub 3}] were prepared by reaction of Cp(CO){sub 2}RuH with added L. Protonation of (Cp{sup iPr{sub 4}})Ru(CO){sub 2}H, Cp*Ru(CO){sub 2}H, or CpRu(CO)[P-(OPh){sub 3}]H by HOTf at -80 C led to equilibria with the cationic dihydrogen complexes, but H{sub 2} was released at higher temperatures. Protonation of CpRu[P(OPh){sub 3}]{sub 2}H with HOTf gave an observable dihydrogen complex, {l_brace}CpRu[P-(OPh){sub 3}]{sub 2}({eta}{sup 2}-H{sub 2}){r_brace}+OTf{sup -} that was converted at -20 C to the dihydride complex {l_brace}CpRu[P(OPh){sub 3}]{sub 2}(H){sub 2}{r_brace}{sup +}OTf{sup -}. These Ru complexes serve as catalyst precursors for the catalytic deoxygenation of 1,2-propanediol to give n-propanol. The catalytic reactions were carried out in sulfolane solvent with added HOTf under H{sub 2} (750 psi) at 110 C.« less

The DTIC Review. Volume 2, Number 3: Optical and Infrared Detection and Countermeasures

DTIC Science & Technology

1996-10-01

are different from those en- countered in designing wavelets for other applications. For use in time- frequency analysis of signals, for example, it...view within the field of regard, and for high -fidelity simulation of optical blurring and temporal effects such as jitter. The real-time CLDWSG method ...integration methods or, for near spatially invariant FOV regions, by convolution methods or by way of the convolution theorem using OTF frequency -domain

Comparative study on copper leaching from waste printed circuit boards by typical ionic liquid acids.

PubMed

Chen, Mengjun; Huang, Jinxiu; Ogunseitan, Oladele A; Zhu, Nengming; Wang, Yan-min

2015-07-01

Waste printed circuit boards (WPCBs) are attracting increasing concerns because the recovery of its content of valuable metallic resources is hampered by the presence of hazardous substances. In this study, we used ionic liquids (IL) to leach copper from WPCBs. [BSO3HPy]OTf, [BSO3HMIm]OTf, [BSO4HPy]HSO4, [BSO4HMim]HSO4 and [MIm]HSO4 were selected. Factors that affect copper leaching rate were investigated in detail and their leaching kinetics were also examined with the comparison of [Bmim]HSO4. The results showed that all six IL acids could successfully leach copper out, with near 100% recovery. WPCB particle size and leaching time had similar influences on copper leaching performance, while IL acid concentration, hydrogen peroxide addition, solid to liquid ratio, temperature, showed different influences. Moreover, IL acid with HSO4(-) was more efficient than IL acid with CF3SO3(-). These six IL acids indicate a similar behavior with common inorganic acids, except temperature since copper leaching rate of some IL acids decreases with its increase. The results of leaching kinetics studies showed that diffusion plays a more important role than surface reaction, whereas copper leaching by inorganic acids is usually controlled by surface reaction. This innovation provides a new option for recovering valuable materials such as copper from WPCBs. Copyright © 2015 Elsevier Ltd. All rights reserved.

Silver(I)-pyridinyl Schiff base complexes: Synthesis, characterisation and antimicrobial studies

NASA Astrophysics Data System (ADS)

Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.

2017-05-01

Fifteen new silver(I)-pyridinyl complexes of the general formula [AgL2]X, where X = ClO4-, OTf or NO3-, were synthesised by reacting (E)-N-(pyridinylmethylene)aniline ligands and the respective silver(I) salts namely AgClO4, AgOTf, or AgNO3. The ligands were obtained by neat grinding of 2- or 4-pyridincarboaxaldehyde together with aniline, 2,6-dimethylaniline or 2,6-diisopropylaniline. The obtained (E)-N-(pyridinylmethylene)aniline ligands were further reacted with respective silver(I) salts in a 2:1 ratio in anhydrous ethanol at room temperature under inert atmosphere using the Schlenk techniques. Chemical structures of complexes were identified by nuclear magnetic resonance, electrospray ionization mass spectrometry, elemental analysis, infrared spectroscopy and some by single-crystal X-ray diffraction analysis. Reactions involving the 2-pyridinyl derivatives resulted in cationic complexes in which two ligands chelate silver(I) centres through the pyridinyl N and imine N atoms, with the counter anion out of the coordination sphere. The 4-pyridinyl derivatives conversely gave complexes in which two ligands coordinate to the silver(I) centre through their pyridinyl N atoms only, most likely a linear fashion. The newly synthesised silver(I) complexes and the free ligands were evaluated for their in vitro antimicrobial activity against Escherichia coli, Salmonella typhimirium, Staphylococcus aureus and Candida albicans. The complexes showed varied growth inhibitory activity against the test organisms.

Electron and Oxygen Atom Transfer Chemistry of Co(II) in a Proton Responsive, Redox Active Ligand Environment.

PubMed

Cook, Brian J; Pink, Maren; Pal, Kuntal; Caulton, Kenneth G

2018-05-21

The bis-pyrazolato pyridine complex LCo(PEt 3 ) 2 serves as a masked form of three-coordinate Co II and shows diverse reactivity in its reaction with several potential outer sphere oxidants and oxygen atom transfer reagents. N-Methylmorpholine N-oxide (NMO) oxidizes coordinated PEt 3 from LCo(PEt 3 ) 2 , but the final cobalt product is still divalent cobalt, in LCo(NMO) 2 . The thermodynamics of a variety of oxygen atom transfer reagents, including NMO, are calculated by density functional theory, to rank their oxidizing power. Oxidation of LCo(PEt 3 ) 2 with AgOTf in the presence of LiCl as a trapping nucleophile forms the unusual aggregate [LCo(PEt 3 ) 2 Cl(LiOTf) 2 ] 2 held together by Li + binding to very nucleophilic chloride on Co(III) and triflate binding to those Li + . In contrast, Cp 2 Fe + effects oxidation to trivalent cobalt, to form (HL)Co(PEt 3 ) 2 Cl + ; proton and the chloride originate from solvent in a rare example of CH 2 Cl 2 dehydrochlorination. An unexpected noncomplementary redox reaction is reported involving attack by 2e reductant PEt 3 nucleophile on carbon of the 1e oxidant radical Cp 2 Fe + , forming a P-C bond and H + ; this reaction competes in the reaction of LCo(PEt 3 ) 2 with Cp 2 Fe + .

Mechanistic Study on Highly Efficient Direct 1,2-Carboboration of Alkynes with 9-Borafluorenes.

PubMed

Shoji, Yoshiaki; Shigeno, Naoki; Takenouchi, Kumiko; Sugimoto, Manabu; Fukushima, Takanori

2018-06-19

We recently reported a new one-pot transformation reaction of alkynes into 9,10-diarylphenanthrene derivatives, which proceeds through efficient catalyst-free 1,2-carbobration of alkynes with 9-chloro-9-borafluorene that yields a chlorodibenzoborepin, followed by oxidative deborylation/C-C coupling of the resultant chlorodibenzoborepin. Based on new experimental observations for the catalyst-free 1,2-carboboration using diphenylaceylenes and 1Br or 1OTf as well as results from theoretical investigations, here we show how the substituent on the boron atom of 9-borafluorene affects the reactivity toward alkynes. Kinetic studies indicated that the 1,2-carboboration of diphenylaceylene with the borafluorenes can be described as a second-order reaction. The reaction rates became larger with increasing the acceptor numbers of the borafluorenes, evaluated by the Gutmann-Beckett method. Interestingly, thermodynamic parameters indicated that activation entropy term, rather than activation enthalpy term, largely contributes to the reaction rate. This result was also supported by DFT calculations. Overall, among the borafluorenes examined, 1Br exhibited the highest reactivity toward a wide variety of substituted diarylacetylenes. Similar to the case of chlorodibenzoborepin, when the dibenzoborepin obtained from 1Br or 1OTf was oxidized using FeCl3, an efficient deborylation/C-C coupling took place to give the corresponding 9,10-diarylphenanthrene derivatives in high yields. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface microstructure of dental implants before and after insertion: an in vitro study by means of scanning probe microscopy.

PubMed

Salerno, Marco; Itri, Angelo; Frezzato, Marco; Rebaudi, Alberto

2015-06-01

The surface microstructure of dental implants affects osseointegration, which makes their accurate topographic characterization important. We defined a procedure for evaluation of implant topography before (pre-) and after (post-) in vitro implantation test in bovine bone. The apical morphology of ten implants was analyzed in pre- and post-conditions using atomic force microscopy or 3D profilometry. We extracted four topographical parameters (two amplitude, 1 spatial, and 1 hybrid) and assessed the differences by analysis of variance. The implant with coating (Spline Twist MP-1 HA) was damaged. The two implants with highest pre-amplitude parameters (Pitt Easy VTPS, TLR3815) maintained their character on testing. Pitt Easy PURETEX and OT-F1 were the only nondamaged implants whose amplitude parameters increased. The surface area underwent minor changes even when the texture changed (Tri-Vent, Pitt Easy PURETEX, Exp #1). The implants that ranked the lowest in all parameters before implantation were DT4013TI, Tri-Vent, OT-F1, and Exp #2. On testing, DT4013TI showed the highest decrease in values, whereas Tri-Vent showed the highest increase in surface area. All the experimental implants showed similar topographic properties both pre- and post-test. For most implants, no major changes occurred in surface topography on implantation. The procedure applied seems promising to evaluate the degradation of implant surface on insertion.

Optical resolution of {pi}-thiophene complexes (C{sub 6}Me{sub 6}) Ru(2-RC{sub 4}H{sub 3}S){sup 2+} and related studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dailey, K.K.; Rauchfuss, T.B.

Diasteriomeric iminium thiolato complexes were prepared by the addition of S-(-)-{alpha}-methylbenzylamine to the {pi}-thiophene complexes [(C{sub 6}Me{sub 6})Ru(2-RC{sub 4}H{sub 3}S)]{sup 2+}, where R = Me(1{sup 2+}), CH{sub 2}OH (3{sup 2+}), and 2-C{sub 4}H{sub 3}S(6{sup 2+}). After chromatographic separation, the diastereomers were treated with HOTf to generate optically pure {pi}-thiophene complexes. The absolute configuration of [(C{sub 6}Me{sub 6})RuSCMeC{sub 2}H{sub 2}(CHNHCHMePh)]OTf, (-)-2(OTf), was determined by a single-crystal X-ray diffraction; the monohydrate crystallized in the acentric space group P2{sub 1}2{sub 1}2{sub 1}. Base hydrolysis of (-)-1{sup 2+} gave the formyl thiolato complex (-)-9{sub kin}, which isomerized to (+)-9{sub therm} with inversion of configurationmore » at Ru, as indicated by circular dichroism measurements. The methyl ester of the amino acid (L)-phenylalanine was shown to add to (C{sub 6}Me{sub 6})Ru(C{sub 4}H{sub 4}S){sup 2+} to give a 2:1 mixture of diastereomeric iminium thiolato complexes. 19 refs., 3 figs., 2 tabs.« less

High-resolution image reconstruction technique applied to the optical testing of ground-based astronomical telescopes

NASA Astrophysics Data System (ADS)

Jin, Zhenyu; Lin, Jing; Liu, Zhong

2008-07-01

By study of the classical testing techniques (such as Shack-Hartmann Wave-front Sensor) adopted in testing the aberration of ground-based astronomical optical telescopes, we bring forward two testing methods on the foundation of high-resolution image reconstruction technology. One is based on the averaged short-exposure OTF and the other is based on the Speckle Interferometric OTF by Antoine Labeyrie. Researches made by J.Ohtsubo, F. Roddier, Richard Barakat and J.-Y. ZHANG indicated that the SITF statistical results would be affected by the telescope optical aberrations, which means the SITF statistical results is a function of optical system aberration and the atmospheric Fried parameter (seeing). Telescope diffraction-limited information can be got through two statistics methods of abundant speckle images: by the first method, we can extract the low frequency information such as the full width at half maximum (FWHM) of the telescope PSF to estimate the optical quality; by the second method, we can get a more precise description of the telescope PSF with high frequency information. We will apply the two testing methods to the 2.4m optical telescope of the GMG Observatory, in china to validate their repeatability and correctness and compare the testing results with that of the Shack-Hartmann Wave-Front Sensor got. This part will be described in detail in our paper.

Prototype Interoperability Document between NASA-JSC and DLR-GSOC Describing the CCSDS SM and C Mission Operations Prototype

NASA Technical Reports Server (NTRS)

Lucord, Steve A.; Gully, Sylvain

2009-01-01

The purpose of the PROTOTYPE INTEROPERABILITY DOCUMENT is to document the design and interfaces for the service providers and consumers of a Mission Operations prototype between JSC-OTF and DLR-GSOC. The primary goal is to test the interoperability sections of the CCSDS Spacecraft Monitor & Control (SM&C) Mission Operations (MO) specifications between both control centers. An additional goal is to provide feedback to the Spacecraft Monitor and Control (SM&C) working group through the Review Item Disposition (RID) process. This Prototype is considered a proof of concept and should increase the knowledge base of the CCSDS SM&C Mission Operations standards. No operational capabilities will be provided. The CCSDS Mission Operations (MO) initiative was previously called Spacecraft Monitor and Control (SM&C). The specifications have been renamed to better reflect the scope and overall objectives. The working group retains the name Spacecraft Monitor and Control working group and is under the Mission Operations and Information Services Area (MOIMS) of CCSDS. This document will refer to the specifications as SM&C Mission Operations, Mission Operations or just MO.

Ionospheric Structure and Variability on a Global Scale and Interactions with Atmosphere and Magnetosphere: Conference Proceedings of the Electromagnetic Wave Propagation Panel Symposium Held in Munich (Germany, F.R.) on 16-20 May 1988.

DTIC Science & Technology

1989-04-01

8217’ti p-d hI ;’t’r 0,c -c’ f’tr cati ib-.-cic iscctcnc -’tcoi’t ll-iti Pit-It it’ir’ itt- ’I-ri-i. will; 0l tP~~it" ttrlt’s if 1 rcctt,it’’ scli otf IMP

Highly Selective Coupling of Alkenes and Aldehydes Catalyzed by NHC–Ni–P(OPh)3: Synergy Between a Strong σ-Donor and a Strong π-Acceptor**

PubMed Central

Ho, Chun-Yu; Jamison, Timothy F.

2011-01-01

Both a strong electron donor (IPr) and a strong electron acceptor (P(OPh)3) are necessary for a highly selective, nickel-catalyzed coupling reaction between alkenes, aldehydes, and silyltriflates. Without the phosphite, catalysis is not observed and several side reactions are observed. The phosphite appears to suppress the formation of these byproducts and rescue the catalytic cycle by accelerating reductive elimination from an (IPr–Ni–H)(OTf) complex. PMID:17154217

Copper-catalyzed three- five- or seven-component coupling reactions: the selective synthesis of cyanomethylamines, N,N-bis(cyanomethyl)amines and N,N'-bis(cyanomethyl)methylenediamines based on a Strecker-type synthesis.

PubMed

Sakai, Norio; Takahashi, Nobuaki; Inoda, Daiki; Ikeda, Reiko; Konakahara, Takeo

2013-10-10

We have demonstrated that a cooperative catalytic system comprised of CuCl and Cu(OTf)(2) could be used to effectively catalyse the three-, five- and seven-component coupling reactions of aliphatic or aromatic amines, formaldehyde, and trimethylsilyl cyanide (TMSCN), and selectively produce in good yields the corresponding cyanomethylamines, N,N-bis(cyanomethyl)amines and N,N'-bis(cyanomethyl)methylenediamines.

Chemically Amplified Bilevel Resist Based on Condensation of Siloxanes

NASA Astrophysics Data System (ADS)

Sakata, Miwa; Ito, Toshio; Yamashita, Yoshio

1991-11-01

This paper deals with a negative bilevel resist which is based on the acid-catalyzed condensation reaction of poly(siloxane)s. The resist systems consist of photoacid generators and poly(siloxane). Ph3S+OTf- reveals an efficient activity for silanol condensation and the system has a high sensitivity of 0.31 mJ/cm2. Tetrafunctional silane plays the role of crosslinker in this system. Sensitivity improvement of low-sensitivity systems such as benzoin p-toluenesulfonate/poly(siloxane) can be achieved by this method.

The Precision Expandable Radar Calibration Sphere (PERCS) With Applications for Laser Imaging and Ranging

NASA Astrophysics Data System (ADS)

Bernhardt, P.; Nicholas, A.; Thomas, L.; Davis, M.; Hoberman, C.; Davis, M.

The Naval Research Laboratory will provide an orbiting calibration sphere to be used with ground-based laser imaging telescopes and HF radio systems. The Precision Expandable Radar Calibration Sphere (PERCS) is a practical, reliable, high-performance HF calibration sphere and laser imaging target to orbit at about 600 km altitude. The sphere will be made of a spherical wire frame with aspect independent radar cross section in the 3 to 35 MHz frequency range. The necessary launch vehicle to place the PERCS in orbit will be provided by the Department of Defense Space Test Program. The expandable calibration target has a stowed diameter of 1 meter and a fully deployed diameter of 10.2 meters. A separate deployment mechanism is provided for the sphere. After deployment, the Precision Expandable Radar Calibration Sphere (PERCS) with 180 vertices will be in a high inclination orbit to scatter radio pulses from a number of ground systems, including (1) over-the-horizon (OTH) radars operated by the United States and Australia; (2) high power HF facilities such as HAARP in Alaska, EISCAT in Norway, and Arecibo in Puerto Rico; (3) the chain of high latitude SuperDARN radars used for auroral region mapping; and (4) HF direction finding for Navy ships. With the PERCS satellite, the accuracy of HF radars can be periodically checked for range, elevation, and azimuth errors. In addition, each of the 360 vertices on the PERCS sphere will support an optical retro-reflector for operations with ground laser facilities used to track satellites. The ground laser systems will be used to measure the precise location of the sphere within one cm accuracy and will provide the spatial orientation of the sphere as well as the rotation rate. The Department of Defense facilities that can use the corner-cube reflectors on the PERCS include (1) the Air Force Maui Optical Site (AMOS), (2) the Starfire Optical Range (SOR), and (3) the NRL Optical Test Facility (OTF).

Development of solvent systems with room temperature ionic liquids for the countercurrent chromatographic separation of very nonpolar lipid compounds.

PubMed

Müller, Marco; Englert, Michael; Earle, Martyn J; Vetter, Walter

2017-03-10

Solvent systems are not readily available for the separation of very nonpolar compounds by countercurrent chromatography (CCC). In this study we therefore evaluated the suitability of room temperature ionic liquids (IL) in organic solvents for the CCC separation of the extremely nonpolar lipid compounds tripalmitin (PPP) and cholesteryl stearate (CS). The four IL tested were [C 10 mim][OTf], [C 2 mim][NTf 2 ], [P66614][NTf 2 ], and [P66614][Cl]. Search for a CCC-suited solvent system started with solubility studies with fourteen organic solvents. Following this, combinations were made with one organic solvent miscible and one organic solvent immiscible with IL (147 combinations). Twenty-four initially monophasic mixtures of two organic solvents became biphasic by adding IL. Several unexpected results could be observed. For instance, n-hexane and n-heptane became biphasic with [P66614][Cl]. Further nine systems became biphasic although the IL was not miscible in any of the two components. These 33 solvent systems were investigated with regard to phase ratio, settling time, share of IL in the upper phase and last not least the K U/L values of PPP and CS, which were 8.1 and 7.7 respectively. The most promising system, n-heptane/chloroform/[C 10 mim][OTf] (3:3:1, v/v/v) allowed a partial separation of PPP and CS by CCC which was not achieved beforehand. Copyright © 2017 Elsevier B.V. All rights reserved.

Spectroscopic investigation and direct comparison of the reactivities of iron pyridyl oxidation catalysts

NASA Astrophysics Data System (ADS)

Song, Yang; Mayes, Howard G.; Queensen, Matthew J.; Bauer, Eike B.; Dupureur, Cynthia M.

2017-03-01

The growing interest in green chemistry has fueled attention to the development and characterization of effective iron complex oxidation catalysts. A number of iron complexes are known to catalyze the oxidation of organic substrates utilizing peroxides as the oxidant. Their development is complicated by a lack of direct comparison of the reactivities of the iron complexes. To begin to correlate reactivity with structural elements, we compare the reactivities of a series of iron pyridyl complexes toward a single dye substrate, malachite green (MG), for which colorless oxidation products are established. Complexes with tetradentate, nitrogen-based ligands with cis open coordination sites were found to be the most reactive. While some complexes reflect sensitivity to different peroxides, others are similarly reactive with either H2O2 or tBuOOH, which suggests some mechanistic distinctions. [Fe(S,S-PDP)(CH3CN)2](SbF6)2 and [Fe(OTf)2(tpa)] transition under the oxidative reaction conditions to a single intermediate at a rate that exceeds dye degradation (PDP = bis(pyridin-2-ylmethyl) bipyrrolidine; tpa = tris(2-pyridylmethyl)amine). For the less reactive [Fe(OTf)2(dpa)] (dpa = dipicolylamine), this reaction occurs on a timescale similar to that of MG oxidation. Thus, the spectroscopic method presented herein provides information about the efficiency and mechanism of iron catalyzed oxidation reactions as well as about potential oxidative catalyst decomposition and chemical changes of the catalyst before or during the oxidation reaction.

Iron-catalyzed olefin epoxidation in the presence of acetic acid: insights into the nature of the metal-based oxidant.

PubMed

Mas-Ballesté, Rubén; Que, Lawrence

2007-12-26

The iron complexes [(BPMEN)Fe(OTf)2] (1) and [(TPA)Fe(OTf)2] (2) [BPMEN = N,N'-bis-(2-pyridylmethyl)-N,N'-dimethyl-1,2-ethylenediamine; TPA = tris-(2-pyridylmethyl)amine] catalyze the oxidation of olefins by H2O2 to yield epoxides and cis-diols. The addition of acetic acid inhibits olefin cis-dihydroxylation and enhances epoxidation for both 1 and 2. Reactions carried out at 0 degrees C with 0.5 mol % catalyst and a 1:1.5 olefin/H2O2 ratio in a 1:2 CH3CN/CH3COOH solvent mixture result in nearly quantitative conversions of cyclooctene to epoxide within 1 min. The nature of the active species formed in the presence of acetic acid has been probed at low temperature. For 2, in the absence of substrate, [(TPA)FeIII(OOH)(CH3COOH)]2+ and [(TPA)FeIVO(NCCH3)]2+ intermediates can be observed. However, neither is the active epoxidizing species. In fact, [(TPA)FeIVO(NCCH3)]2+ is shown to form in competition with substrate oxidation. Consequently, it is proposed that epoxidation is mediated by [(TPA)FeV(O)(OOCCH3)]2+, generated from O-O bond heterolysis of the [(TPA)FeIII(OOH)(CH3COOH)]2+ intermediate, which is promoted by the protonation of the terminal oxygen atom of the hydroperoxide by the coordinated carboxylic acid.

Deformation, Fluid Flow and Mantle Serpentinization at Oceanic Transform Faults

NASA Astrophysics Data System (ADS)

Rupke, L.; Hasenclever, J.

2017-12-01

Oceanic transform faults (OTF) and fracture zones have long been hypothesized to be sites of enhanced fluid flow and biogeochemical exchange. In this context, the serpentine forming interaction between seawater and cold lithospheric mantle rocks is particularly interesting. The transformation of peridotite to serpentinite not only leads to hydration of oceanic plates and is thereby an important agent of the geological water cycle, it is also a mechanism of abiotic hydrogen and methane formation, which can support archeal and bacterial communities at the seafloor. Inferring the likely amount of mantle undergoing serpentinization reactions therefore allows estimating the amount of biomass that may be autotrophically produced at and around oceanic transform faults and mid-ocean ridges Here we present results of 3-D geodynamic model simulations that explore the interrelations between deformation, fluid flow, and mantle serpentinization at oceanic transform faults. We investigate how slip rate and fault offset affect the predicted patterns of mantle serpentinization around oceanic transform faults. Global rates of mantle serpentinization and associated H2 production are calculated by integrating the modeling results with plate boundary data. The global additional OTF-related production of H2 is found to be between 6.1 and 10.7 x 1011 mol per year, which is comparable to the predicted background mid-ocean ridge rate of 4.1 - 15.0 x 1011 mol H2/yr. This points to oceanic transform faults as potential sites of intense fluid-rock interaction, where chemosynthetic life could be sustained by serpentinization reactions.

Pincer phosphine complexes of ruthenium: formation of Ru(P-O-P)(PPh3)HCl (P-O-P = xantphos, DPEphos, (Ph2PCH2CH2)2O) and Ru(dppf)(PPh3)HCl and characterization of cationic dioxygen, dihydrogen, dinitrogen, and arene coordinated phosphine products.

PubMed

Ledger, Araminta E W; Moreno, Aitor; Ellul, Charles E; Mahon, Mary F; Pregosin, Paul S; Whittlesey, Michael K; Williams, Jonathan M J

2010-08-16

Treatment of Ru(PPh(3))(3)HCl with the pincer phosphines 9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene (xantphos), bis(2-diphenylphosphinophenyl)ether (DPEphos), or (Ph(2)PCH(2)CH(2))(2)O affords Ru(P-O-P)(PPh(3))HCl (xantphos, 1a; DPEphos, 1b; (Ph(2)PCH(2)CH(2))(2)O, 1c). The X-ray crystal structures of 1a-c show that all three P-O-P ligands coordinate in a tridentate manner through phosphorus and oxygen. Abstraction of the chloride ligand from 1a-c by NaBAr(4)(F) (BAr(4)(F) = B(3,5-C(6)H(3)(CF(3))(2))(4)) gives the cationic aqua complexes [Ru(P-O-P)(PPh(3))(H(2)O)H]BAr(4)(F) (3a-c). Removal of chloride from 1a by AgOTf yields Ru(xantphos)(PPh(3))H(OTf) (2a), which reacts with water to form [Ru(xantphos)(PPh(3))(H(2)O)H](OTf). The aqua complexes 3a-b react with O(2) to generate [Ru(xantphos)(PPh(3))(eta(2)-O(2))H]BAr(4)(F) (5a) and [Ru(DPEphos)(PPh(3))(eta(2)-O(2))H]BAr(4)(F) (5b). Addition of H(2) or N(2) to 3a-c yields the thermally unstable dihydrogen and dinitrogen species [Ru(P-O-P)(PPh(3))(eta(2)-H(2))H]BAr(4)(F) (6a-c) and [Ru(P-O-P)(PPh(3))(N(2))H]BAr(4)(F) (7a-c), which have been characterized by multinuclear NMR spectroscopy at low temperature. Ru(PPh(3))(3)HCl reacts with 1,1'-bis(diphenylphosphino)ferrocene (dppf) to give the 16-electron complex Ru(dppf)(PPh(3))HCl (1d), which upon treatment with NaBAr(4)(F), affords [Ru(dppf){(eta(6)-C(6)H(5))PPh(2)}H]BAr(4)(F) (8), in which the PPh(3) ligand binds eta(6) through one of the PPh(3) phenyl rings. Reaction of 8 with CO or PMe(3) at elevated temperatures yields the 18-electron products [Ru(dppf)(PPh(3))(CO)(2)H]BAr(F)(4) (9) and [Ru(PMe(3))(5)H]BAr(4)(F) (10).

Rapid Construction of Complex 2-Pyrrolines through Lewis Acid-Catalyzed, Sequential Three-Component Reactions via in Situ-Generated 1-Azaallyl Cations.

PubMed

Schlegel, Marcel; Schneider, Christoph

2018-05-09

The first Sc(OTf) 3 -catalyzed dehydration of 2-hydroxy oxime ethers to generate benzylic stabilized 1-azaallyl cations, which are captured by 1,3-carbonyls, is described. A subsequent addition of primary amines in a sequential three-component reaction affords highly substituted and densely functionalized tetrahydroindeno[2,1- b]pyrroles as single diastereomers with up to quantitative yield. Thus, three new σ-bonds and two vicinal quaternary stereogenic centers are generated in a one-pot operation.

LiBSi2: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels.

PubMed

Zeilinger, Michael; van Wüllen, Leo; Benson, Daryn; Kranak, Verina F; Konar, Sumit; Fässler, Thomas F; Häussermann, Ulrich

2013-06-03

Silicon swallows up boron: The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi2 was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels (see picture). LiBSi2 is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts.

Nonstoichiometry of Epitaxial FeTiO(3+delta) Films

DTIC Science & Technology

2003-01-01

nonstoichiometry of the FeTiO3 +8 films was probably produced by cation vacancies and disarrangement of Fe3+ and Ti4 ions, which randomly occupied both interstitial...and substitutional sites of the FeTiO 3 related structure. INTRODUCTION Solid solutions of ot-Fe20 3- FeTiO3 (hematite-ilmenite) series are known to...tried to confirm preparation conditions of stoichiometric FeTiO 3 films. According to a literature on bulk crystal growth of FeTiO3 [5], very low oxygen

A Highly Reactive Dicationic Iridium(III) Catalyst for Polarized Nazarov Cyclization

PubMed Central

Vaidya, Tulaza; Atesin, Abdurrahman C.; Herrick, Ildiko R.; Frontier, Alison J.; Eisenberg, Richard

2010-01-01

Pushing the Nazarov Envelope A new electrophilic complex [IrBr(CO)(diethylisopropylidene malonate)((R)-(+)-BINAP)](SbF6)2 (2) exhibits unusual activity in the catalysis of polarized Nazarov cyclization. Aryl vinyl ketones that show poor reactivity with well-known catalysts such as [Ir(CH3)(CO)(1,2-diiodobenzene)(dppe)](B(Arf)4−)2 (1), Sc(OTf)3 + LiClO4 and Cu(ClO4)2, can be cyclized with 2 + AgSbF6 (1:1) under mild conditions with concurrent AgBr precipitation. PMID:20358570

Multiple functional ionic liquids based dispersive liquid-liquid microextraction combined with high performance chromatography for the determination of phenolic compounds in water samples.

PubMed

Sun, Jian-Nan; Chen, Juan; Shi, Yan-Ping

2014-07-01

A new mode of ionic liquid based dispersive liquid-liquid microextraction (IL-DLLME) is developed. In this work, [C6MIm][PF6] was chosen as the extraction solvent, and two kinds of hydrophilic ionic liquids, [EMIm][BF4] and [BSO3HMIm][OTf], functioned as the dispersive solvent. So in the whole extraction procedure, no organic solvent was used. With the aid of SO3H group, the acidic compound was extracted from the sample solution without pH adjustment. Two phenolic compounds, namely, 2-naphthol and 4-nitrophenol were chosen as the target analytes. Important parameters affecting the extraction efficiency, such as the type of hydrophilic ionic liquids, the volume ratio of [EMIm][BF4] to [BSO3HMIm][OTf], type and volume of extraction solvent, pH value of sample solution, sonication time, extraction time and centrifugation time were investigated and optimized. Under the optimized extraction conditions, the method exhibited good sensitivity with the limits of detection (LODs) at 5.5 μg L(-1)and 10.0 μg L(-1) for 4-nitrophenol and 2-naphthol, respectively. Good linearity over the concentration ranges of 24-384 μg L(-1) for 4-nitrophenol and 28-336 μg L(-1) for 2-naphthol was obtained with correlation coefficients of 0.9998 and 0.9961, respectively. The proposed method can directly extract acidic compound from environmental sample or even more complex sample matrix without any pH adjustment procedure. Copyright © 2014 Elsevier B.V. All rights reserved.

Evolution of the transfer function characterization of surface scatter phenomena

NASA Astrophysics Data System (ADS)

Harvey, James E.; Pfisterer, Richard N.

2016-09-01

Based upon the empirical observation that BRDF measurements of smooth optical surfaces exhibited shift-invariant behavior when plotted versus    o , the original Harvey-Shack (OHS) surface scatter theory was developed as a scalar linear systems formulation in which scattered light behavior was characterized by a surface transfer function (STF) reminiscent of the optical transfer function (OTF) of modern image formation theory (1976). This shift-invariant behavior combined with the inverse power law behavior when plotting log BRDF versus log   o was quickly incorporated into several optical analysis software packages. Although there was no explicit smooth-surface approximation in the OHS theory, there was a limitation on both the incident and scattering angles. In 1988 the modified Harvey-Shack (MHS) theory removed the limitation on the angle of incidence; however, a moderate-angle scattering limitation remained. Clearly for large incident angles the BRDF was no longer shift-invariant as a different STF was now required for each incident angle. In 2011 the generalized Harvey-Shack (GHS) surface scatter theory, characterized by a two-parameter family of STFs, evolved into a practical modeling tool to calculate BRDFs from optical surface metrology data for situations that violate the smooth surface approximation inherent in the Rayleigh-Rice theory and/or the moderate-angle limitation of the Beckmann-Kirchhoff theory. And finally, the STF can be multiplied by the classical OTF to provide a complete linear systems formulation of image quality as degraded by diffraction, geometrical aberrations and surface scatter effects from residual optical fabrication errors.

Eradication of bovine tuberculosis at a herd-level in Madrid, Spain: study of within-herd transmission dynamics over a 12 year period

PubMed Central

2012-01-01

Background Eradication of bovine tuberculosis (bTB) through the application of test-and-cull programs is a declared goal of developed countries in which the disease is still endemic. Here, longitudinal data from more than 1,700 cattle herds tested during a 12 year-period in the eradication program in the region of Madrid, Spain, were analyzed to quantify the within-herd transmission coefficient (β) depending on the herd-type (beef/dairy/bullfighting). In addition, the probability to recover the officially bTB free (OTF) status in infected herds depending on the type of herd and the diagnostic strategy implemented was assessed using Cox proportional hazard models. Results Overall, dairy herds showed higher β (median 4.7) than beef or bullfighting herds (2.3 and 2.2 respectively). Introduction of interferon-gamma (IFN-γ) as an ancillary test produced an apparent increase in the β coefficient regardless of production type, likely due to an increase in diagnostic sensitivity. Time to recover OTF status was also significantly lower in dairy herds, and length of bTB episodes was significantly reduced when the IFN-γ was implemented to manage the outbreak. Conclusions Our results suggest that bTB spreads more rapidly in dairy herds compared to other herd types, a likely cause being management and demographic-related factors. However, outbreaks in dairy herds can be controlled more rapidly than in typically extensive herd types. Finally, IFN-γ proved its usefulness to rapidly eradicate bTB at a herd-level. PMID:22748007

Anticancer potency and multidrug-resistant studies of self-assembled arene-ruthenium metallarectangles.

PubMed

Dubey, Abhishek; Min, Jin Wook; Koo, Hyun Jung; Kim, Hyunuk; Cook, Timothy R; Kang, Se Chan; Stang, Peter J; Chi, Ki-Whan

2013-08-26

A suite of three tetraruthenium metallacycles have been obtained from [2+2] self-assemblies between N,N'-Di-(4-pyridyl)-1,4,5,8-naphthalenetetracarbo-xydiimide (4) and one of the three dinuclear arene ruthenium clips, (η(6)-p-iPrC6H4Me)2Ru2(OO∩OO)][OTf]2 (OO∩OO = oxalate 1, 2,5-dioxydo-1,4-benzoquinonato (dobq) 2, 5,8-dihydroxy-1,4-naphthaquinonato (donq) 3; OTf = triflate). All complexes were isolated in good yield (>85 %) as triflate salts and were fully characterized by using (1)H NMR and UV/Vis spectroscopies, and high-resolution electrospray mass spectrometry. A single crystal of the metallarectangle 5 was suitable for X-ray diffraction structural characterization. The biological activities of the metallacycles were determined by using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assays, establishing their in vitro anticancer properties. Our results show that for the AGC (gastric cancer) cell lines, the cytotoxicity of (donq)-containing SCC 7 exceeds that of cisplatin, which was used as a control. For HCT15 (colon cancer) cell lines, the cytotoxicity is comparable to both cisplatin and doxorubicin. An in vivo hollow fiber model was used to show growth-inhibitory activity against HCT15 and image-based cytometry experiments indicated that 7 induced apoptosis as the mode of cell death. Complex 7 also showed significant antitumor activity for multidrug-resistant HCT15/CLO2 cell lines, for which doxorubicin was ineffective. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.

PubMed

Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel

2016-11-02

The [3 + 2] annulation reaction of C,C,N-trisubstituted ketenimines with donor-acceptor cyclopropanes bearing aryl, styryl and vinyl substituents at the C2 position, triggered by the Lewis acid Sc(OTf) 3 , supplies highly substituted pyrrolidines. Activated cyclopropanes fused to naphthalene and [1]benzopyrane nuclei are also suitable substrates in similar transformations, yielding partially saturated benz[g]indoles and [1]benzopyran[4,3-b]pyrroles. An intramolecular version of this ketenimine/cyclopropane [3 + 2] annulation has also been developed leading to the pyrrolo[2,1-a]isoindole framework.

2-Nitro-thioglycosides: α- and β-selective generation and their potential as β-selective glycosyl donors.

PubMed

Peng, Peng; Geng, Yiqun; Göttker-Schnetmann, Inigo; Schmidt, Richard R

2015-03-20

Michael-type addition of thiolates to 2-nitro-D-glucal or to 2-nitro-D-galactal derivatives readily provides 2-deoxy-2-nitro-1-thioglycosides. Kinetic and thermodynamic reaction control permitted formation of either the α- or preferentially the β-anomers, respectively. Addition of achiral and chiral thiourea derivatives to the reaction mixture increased the reaction rate; the outcome is substrate-controlled. The 2-deoxy-2-nitro-1-thioglycosides are excellent glycosyl donors under arylsulfenyl chloride/silver triflate (ArSCl/AgOTf) activation, and they provide, anchimerically assisted by the nitro group, mostly β-glycosides.

VizieR Online Data Catalog: Mapping spectral line survey toward W51 in 3mm (Watanabe+, 2017)

NASA Astrophysics Data System (ADS)

Watanabe, Y.; Nishimura, Y.; Harada, N.; Sakai, N.; Shimonishi, T.; Aikawa, Y.; Kawamura, A.; Yamamoto, S.

2018-04-01

Observations were carried out with the Mopra 22m telescope in 2013 October and 2014 August and September. An on-the-fly (OTF) mapping method was employed to cover the 25'x30' area of W51 centered at (l,b)=(49.4902°,-0.2622°) in the Galactic coordinate. The area corresponds to 39pcx47pc at the distance of W51. Three frequency settings were observed to cover the frequency ranges of 85.2-101.1GHz and 107.0-114.9GHz. (3 data files).

Ruthenium-Catalyzed Synthesis of Dialkoxymethane Ethers Utilizing Carbon Dioxide and Molecular Hydrogen.

PubMed

Thenert, Katharina; Beydoun, Kassem; Wiesenthal, Jan; Leitner, Walter; Klankermayer, Jürgen

2016-09-26

The synthesis of dimethoxymethane (DMM) by a multistep reaction of methanol with carbon dioxide and molecular hydrogen is reported. Using the molecular catalyst [Ru(triphos)(tmm)] in combination with the Lewis acid Al(OTf)3 resulted in a versatile catalytic system for the synthesis of various dialkoxymethane ethers. This new catalytic reaction provides the first synthetic example for the selective conversion of carbon dioxide and hydrogen into a formaldehyde oxidation level, thus opening access to new molecular structures using this important C1 source. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

cis-Dioxorhenium(V/VI) Complexes Supported by Neutral Tetradentate N4 Ligands. Synthesis, Characterization, and Spectroscopy.

PubMed

Ng, Vicky Yin-Ming; Tse, Chun-Wai; Guan, Xiangguo; Chang, Xiaoyong; Yang, Chen; Low, Kam-Hung; Lee, Hung Kay; Huang, Jie-Sheng; Che, Chi-Ming

2017-12-18

A series of cis-dioxorhenium(V) complexes containing chiral tetradentate N 4 ligands, including cis-[Re V (O) 2 (pyxn)] + (1; pyxn = N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)cyclohexane-1,2-diamine), cis-[Re V (O) 2 (6-Me 2 pyxn)] + (cis-2), cis-[Re V (O) 2 (R,R-pdp)] + (3; R,R-pdp = 1,1'-bis((R,R)-2-pyridinylmethyl)-2,2'-bipyrrolidine), cis-[Re V (O) 2 (R,R-6-Me 2 pdp)] + (4), and cis-[Re V (O) 2 (bqcn)] + (5; bqcn = N,N'-dimethyl-N,N'-di(quinolin-8-yl)cyclohexane-1,2-diamine), were synthesized. Their structures were established by X-ray crystallography, showing Re-O distances in the range of 1.740(3)-1.769(8) Å and O-Re-O angles of 121.4(2)-124.8(4)°. Their cyclic voltammograms in MeCN (0.1 M [NBu 4 ]PF 6 ) display a reversible Re VI/V couple at E 1/2 = 0.39-0.49 V vs SCE. In aqueous media, three proton-coupled electron transfer reactions corresponding to Re VI/V , Re V/III , and Re III/II couples were observed at pH 1. The Pourbaix diagrams of 1·OTf, 3·OTf, and 5·OTf have been examined. The electronic absorption spectra of the cis-dioxorhenium(V) complexes show three absorption bands at around 800 nm (600-1730 dm 3 mol -1 cm -1 ), 580 nm (1700-5580 dm 3 mol -1 cm -1 ), and 462-523 nm (3170-6000 dm 3 mol -1 cm -1 ). Reaction of 1 with Lewis acids (or protic acids) gave cis-[Re V (O)(OH)(pyxn)] 2+ (1·H + ), in which the Re-O distances are lengthened to 1.788(5) Å. Complex cis-2 resulted from isomerization of trans-2 at elevated temperature. cis-[Re VI (O) 2 (pyxn)](PF 6 ) 2 (1'·(PF 6 ) 2 ) was obtained by constant-potential electrolysis of 1·PF 6 in MeCN (0.1 M [NBu 4 ]PF 6 ) at 0.56 V vs SCE; it displays shorter Re-O distances (1.722(4), 1.726(4) Å) and a smaller O-Re-O angle (114.88(18)°) relative to 1 and shows a d-d transition absorption band at 591 nm (ε = 77 dm 3 mol -1 cm -1 ). With a driving force of ca. 75 kcal mol -1 , 1' oxidizes hydrocarbons with weak C-H bonds (75.5-76.3 kcal mol -1 ) via hydrogen atom abstraction. DFT and TDDFT calculations on the electronic structures and spectroscopic properties of the cis-dioxorhenium(V/VI) complexes were performed.

Photoeffect cross sections of some rare-earth elements at 145.4 keV

NASA Astrophysics Data System (ADS)

Umesh, T. K.; Ranganathaiah, C.; Sanjeevaiah, B.

1985-08-01

Total attenuation cross sections in the elements La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, and Er were derived from the measured total cross sections of their simple oxide compounds, by employing the mixture rule at 145.4-keV photon energy. The compound cross sections have been measured by performing transmission experiments in a good geometry setup. From the derived total cross sections of elements, photoeffect cross sections have been obtained by subtracting the theoretical scattering cross sections. A good agreement is observed between the present data of photoeffect cross sections and Scofield's theoretical data.

Electron-Impact Ionization Cross Section Database

National Institute of Standards and Technology Data Gateway

SRD 107 Electron-Impact Ionization Cross Section Database (Web, free access)   This is a database primarily of total ionization cross sections of molecules by electron impact. The database also includes cross sections for a small number of atoms and energy distributions of ejected electrons for H, He, and H2. The cross sections were calculated using the Binary-Encounter-Bethe (BEB) model, which combines the Mott cross section with the high-incident energy behavior of the Bethe cross section. Selected experimental data are included.

Simple synthesis of carbon-11 labeled styryl dyes as new potential PET RNA-specific, living cell imaging probes.

PubMed

Wang, Min; Gao, Mingzhang; Miller, Kathy D; Sledge, George W; Hutchins, Gary D; Zheng, Qi-Huang

2009-05-01

A new type of styryl dyes have been developed as RNA-specific, live cell imaging probes for fluorescent microscopy technology to study nuclear structure and function. This study was designed to develop carbon-11 labeled styryl dyes as new probes for biomedical imaging technique positron emission tomography (PET) imaging of RNA in living cells. Precursors (E)-2-(2-(1-(triisopropylsilyl)-1H-indol-3-yl)vinyl)quinoline (2), (E)-2-(2,4,6-trimethoxystyryl)quinoline (3) and (E)-4-(2-(6-methoxyquinolin-2-yl)vinyl)-N,N-diemthylaniline (4), and standards styryl dyes E36 (6), E144 (7) and F22 (9) were synthesized in multiple steps with moderate to high chemical yields. Precursor 2 was labeled by [(11)C]CH(3)OTf, trapped on a cation-exchange CM Sep-Pak cartridge following a quick deprotecting reaction by addition of (n-Bu)(4)NF in THF, and isolated by solid-phase extraction (SPE) purification to provide target tracer [(11)C]E36 ([(11)C]6) in 40-50% radiochemical yields, decay corrected to end of bombardment (EOB), based on [(11)C]CO(2). The target tracers [(11)C]E144 ([(11)C]7) and [(11)C]F22 ([(11)C]9) were prepared by N-[(11)C]methylation of the precursors 3 and 4, respectively, using [(11)C]CH(3)OTf and isolated by SPE method in 50-70% radiochemical yields at EOB. The specific activity of the target tracers [(11)C]6, [(11)C]7 and [(11)C]9 was in a range of 74-111GBq/mumol at the end of synthesis (EOS).

Alcohol based-deep eutectic solvent (DES) as an alternative green additive to increase rotenone yield

NASA Astrophysics Data System (ADS)

Othman, Zetty Shafiqa; Hassan, Nur Hasyareeda; Zubairi, Saiful Irwan

2015-09-01

Deep eutectic solvents (DESs) are basically molten salts that interact by forming hydrogen bonds between two added components at a ratio where eutectic point reaches a melting point lower than that of each individual component. Their remarkable physicochemical properties (similar to ionic liquids) with remarkable green properties, low cost and easy handling make them a growing interest in many fields of research. Therefore, the objective of pursuing this study is to analyze the potential of alcohol-based DES as an extraction medium for rotenone extraction from Derris elliptica roots. DES was prepared by a combination of choline chloride, ChCl and 1, 4-butanediol at a ratio of 1/5. The structure of elucidation of DES was analyzed using FTIR, 1H-NMR and 13C-NMR. Normal soaking extraction (NSE) method was carried out for 14 hours using seven different types of solvent systems of (1) acetone; (2) methanol; (3) acetonitrile; (4) DES; (5) DES + methanol; (6) DES + acetonitrile; and (7) [BMIM] OTf + acetone. Next, the yield of rotenone, % (w/w), and its concentration (mg/ml) in dried roots were quantitatively determined by means of RP-HPLC. The results showed that a binary solvent system of [BMIM] OTf + acetone and DES + acetonitrile was the best solvent system combination as compared to other solvent systems. It contributed to the highest rotenone content of 0.84 ± 0.05% (w/w) (1.09 ± 0.06 mg/ml) and 0.84 ± 0.02% (w/w) (1.03 ± 0.01 mg/ml) after 14 hours of exhaustive extraction time. In conclusion, a combination of the DES with a selective organic solvent has been proven to have a similar potential and efficiency as of ILs in extracting bioactive constituents in the phytochemical extraction process.

2-Acylpyrroles as mono-anionic O,N-chelating ligands in silicon coordination chemistry.

PubMed

Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg

2014-07-21

Kryptopyrrole (2,4-dimethyl-3-ethylpyrrole) was acylated with, for example, benzoyl chloride to afford 2-benzoyl-3,5-dimethyl-4-ethylpyrrole (L(1)H). With SiCl4 this ligand reacts under liberation of HCl and formation of the complex L(1)2SiCl2. In related reactions with HSiCl3 or H2SiCl2, the same chlorosilicon complex is formed under liberation of HCl and H2 or liberation of H2, respectively. The chlorine atoms of L(1)2SiCl2 can be replaced by fluoride and triflate using ZnF2 and Me3Si-OTf, respectively. The use of a supporting base (triethylamine) is required for the complexation of phenyltrichlorosilane and diphenyldichlorosilane. The complexes L(1)2SiCl2, L(1)2SiF2, L(1)2Si(OTf)2, L(1)2SiPhCl, and L(1)2SiPh2 exhibit various configurations of the octahedral silicon coordination spheres (i.e. cis or trans configuration of the monodentate substituents, different orientations of the bidentate chelating ligands relative to each other). Furthermore, cationic silicon complexes L(1)3Si(+) and L(1) SiPh(+) were synthesized by chloride abstraction with GaCl3. In contrast, reaction of L(1)2SiCl2 with a third equivalent of L(1)H in the presence of excess triethylamine produced a charge-neutral hexacoordinate Si complex with a new tetradentate chelating ligand which formed by Si-templated C-C coupling of two ligands L(1). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.

PubMed

White, Corey J; Speelman, Amy L; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P; Alp, E Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai

2018-02-21

Flavodiiron nitric oxide reductases (FNORs) are a subclass of flavodiiron proteins (FDPs) capable of preferential binding and subsequent reduction of NO to N 2 O. FNORs are found in certain pathogenic bacteria, equipping them with resistance to nitrosative stress, generated as a part of the immune defense in humans, and allowing them to proliferate. Here, we report the spectroscopic characterization and detailed reactivity studies of the diiron dinitrosyl model complex [Fe 2 (BPMP)(OPr)(NO) 2 ](OTf) 2 for the FNOR active site that is capable of reducing NO to N 2 O [Zheng et al., J. Am. Chem. Soc. 2013, 135, 4902-4905]. Using UV-vis spectroscopy, cyclic voltammetry, and spectro-electrochemistry, we show that one reductive equivalent is in fact sufficient for the quantitative generation of N 2 O, following a semireduced reaction mechanism. This reaction is very efficient and produces N 2 O with a first-order rate constant k > 10 2 s -1 . Further isotope labeling studies confirm an intramolecular N-N coupling mechanism, consistent with the rapid time scale of the reduction and a very low barrier for N-N bond formation. Accordingly, the reaction proceeds at -80 °C, allowing for the direct observation of the mixed-valent product of the reaction. At higher temperatures, the initial reaction product is unstable and decays, ultimately generating the diferrous complex [Fe 2 (BPMP)(OPr) 2 ](OTf) and an unidentified ferric product. These results combined offer deep insight into the mechanism of NO reduction by the relevant model complex [Fe 2 (BPMP)(OPr)(NO) 2 ] 2+ and provide direct evidence that the semireduced mechanism would constitute a highly efficient pathway to accomplish NO reduction to N 2 O in FNORs and in synthetic catalysts.

Reaction landscape of a pentadentate N5-ligated Mn(II) complex with O2˙- and H2O2 includes conversion of a peroxomanganese(III) adduct to a bis(μ-oxo)dimanganese(III,IV) species.

PubMed

Leto, Domenick F; Chattopadhyay, Swarup; Day, Victor W; Jackson, Timothy A

2013-09-28

Herein we describe the chemical reactivity of the mononuclear [Mn(II)(N4py)(OTf)](OTf) (1) complex with hydrogen peroxide and superoxide. Treatment of 1 with one equivalent superoxide at -40 °C in MeCN formed the peroxomanganese(III) adduct, [Mn(III)(O2)(N4py)](+) (2) in ~30% yield. Complex 2 decayed over time and the formation of the bis(μ-oxo)dimanganese(III,IV) complex, [Mn(III)Mn(IV)(μ-O)2(N4py)2](3+) (3) was observed. When 2 was formed in higher yields (~60%) using excess superoxide, the [Mn(III)(O2)(N4py)](+) species thermally decayed to Mn(II) species and 3 was formed in no greater than 10% yield. Treatment of [Mn(III)(O2)(N4py)](+) with 1 resulted in the formation of 3 in ~90% yield, relative to the concentration of [Mn(III)(O2)(N4py)](+). This reaction mimics the observed chemistry of Mn-ribonucleotide reductase, as it features the conversion of two Mn(II) species to an oxo-bridged Mn(III)Mn(IV) compound using O2(-) as oxidant. Complex 3 was independently prepared through treatment of 1 with H2O2 and base at -40 °C. The geometric and electronic structures of 3 were probed using electronic absorption, electron paramagnetic resonance (EPR), magnetic circular dichroism (MCD), variable-temperature, variable-field MCD (VTVH-MCD), and X-ray absorption (XAS) spectroscopies. Complex 3 was structurally characterized by X-ray diffraction (XRD), which revealed the N4py ligand bound in an unusual tetradentate fashion.

Reducing cross-sectional data using a genetic algorithm method and effects on cross-section geometry and steady-flow profiles

USGS Publications Warehouse

Berenbrock, Charles E.

2015-01-01

The effects of reduced cross-sectional data points on steady-flow profiles were also determined. Thirty-five cross sections of the original steady-flow model of the Kootenai River were used. These two methods were tested for all cross sections with each cross section resolution reduced to 10, 20 and 30 data points, that is, six tests were completed for each of the thirty-five cross sections. Generally, differences from the original water-surface elevation were smaller as the number of data points in reduced cross sections increased, but this was not always the case, especially in the braided reach. Differences were smaller for reduced cross sections developed by the genetic algorithm method than the standard algorithm method.

Experiments on Antiprotons: Antiproton-Nucleon Cross Sections

DOE R&D Accomplishments Database

Chamberlain, Owen; Keller, Donald V.; Mermond, Ronald; Segre, Emilio; Steiner, Herbert M.; Ypsilantis, Tom

1957-07-22

In this paper experiments are reported on annihilation and scattering of antiprotons in H{sub 2}O , D{sub 2}O, and O{sub 2}. From the data measured it is possible to obtain an antiproton-proton and an antiproton-deuteron cross section at 457 Mev (lab). Further analysis gives the p-p and p-n cross sections as 104 mb for the p-p reaction cross section and 113 mb for the p-n reaction cross section. The respective annihilation cross sections are 89 and 74 mb. The Glauber correction necessary in order to pass from the p-d to the p-n cross section by subtraction of the p-p cross section is unfortunately large and somewhat uncertain. The data are compared with the p-p and p-n cross sections and with other results on p-p collisions.

Study of BenW (n = 1-12) clusters: An electron collision perspective

NASA Astrophysics Data System (ADS)

Modak, Paresh; Kaur, Jaspreet; Antony, Bobby

2017-08-01

This article explores electron scattering cross sections by Beryllium-Tungsten clusters (BenW). Beryllium and tungsten are important elements for plasma facing wall components, especially for the deuterium/tritium phase of ITER and in the recently installed JET. The present study focuses on different electron impact interactions in terms of elastic cross section (Qel), inelastic cross section (Qinel), ionization cross section (Qion), and momentum transfer cross section (Qmtcs) for the first twelve clusters belonging to the BenW family. It also predicts the evolution of the cross section with the size of the cluster. These cross sections are used as an input to model processes in plasma. The ionization cross section presented here is compared with the available reported data. This is the first comprehensive report on cross section data for all the above-mentioned scattering channels, to the best of our knowledge. Such broad analysis of cross section data gives vital insight into the study of local chemistry of electron interactions with BenW (n = 1-12) clusters in plasma.

Averaging cross section data so we can fit it

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, D.

2014-10-23

The 56Fe cross section we are interested in have a lot of fluctuations. We would like to fit the average of the cross section with cross sections calculated within EMPIRE. EMPIRE is a Hauser-Feshbach theory based nuclear reaction code, requires cross sections to be smoothed using a Lorentzian profile. The plan is to fit EMPIRE to these cross sections in the fast region (say above 500 keV).

New cross sections for H on H2 collisional transitions

NASA Astrophysics Data System (ADS)

Zou, Qianxia

2011-12-01

The cross section for H on H2 collisions is important for astrophysics as well as our understanding of the simple chemical systems. This is the simplest atom-molecule cross section. With a new H3 potential surface by Mielke et al., we have modified the ABC code by Skouteris, Castillo and Manolopoulos to calculate new cross sections. These cross sections are compared to previous cross section calculations.

A computer program for analyzing channel geometry

USGS Publications Warehouse

Regan, R.S.; Schaffranek, R.W.

1985-01-01

The Channel Geometry Analysis Program (CGAP) provides the capability to process, analyze, and format cross-sectional data for input to flow/transport simulation models or other computational programs. CGAP allows for a variety of cross-sectional data input formats through use of variable format specification. The program accepts data from various computer media and provides for modification of machine-stored parameter values. CGAP has been devised to provide a rapid and efficient means of computing and analyzing the physical properties of an open-channel reach defined by a sequence of cross sections. CGAP 's 16 options provide a wide range of methods by which to analyze and depict a channel reach and its individual cross-sectional properties. The primary function of the program is to compute the area, width, wetted perimeter, and hydraulic radius of cross sections at successive increments of water surface elevation (stage) from data that consist of coordinate pairs of cross-channel distances and land surface or channel bottom elevations. Longitudinal rates-of-change of cross-sectional properties are also computed, as are the mean properties of a channel reach. Output products include tabular lists of cross-sectional area, channel width, wetted perimeter, hydraulic radius, average depth, and cross-sectional symmetry computed as functions of stage; plots of cross sections; plots of cross-sectional area and (or) channel width as functions of stage; tabular lists of cross-sectional area and channel width computed as functions of stage for subdivisions of a cross section; plots of cross sections in isometric projection; and plots of cross-sectional area at a fixed stage as a function of longitudinal distance along an open-channel reach. A Command Procedure Language program and Job Control Language procedure exist to facilitate program execution on the U.S. Geological Survey Prime and Amdahl computer systems respectively. (Lantz-PTT)

Multistrand superconductor cable

DOEpatents

Borden, A.R.

1984-03-08

Improved multistrand Rutherford-type superconductor cable is produced by using strands which are preformed, prior to being wound into the cable, so that each strand has a variable cross section, with successive portions having a substantially round cross section, a transitional oval cross section, a rectangular cross section, a transitional oval cross section, a round cross section and so forth, in repetitive cycles along the length of the strand. The cable is wound and flattened so that the portions of rectangular cross section extend across the two flat sides of the cable at the strand angle. The portions of round cross section are bent at the edges of the flattened cable, so as to extend between the two flat sides. The rectangular portions of the strands slide easil

Chemical synthesis of the tetrasaccharide repeating unit of the O-polysaccharide isolated from Azospirillum brasilense SR80.

PubMed

Sarkar, Vikramjit; Mukhopadhyay, Balaram

2015-04-10

A linear strategy has been developed for the synthesis of the tetrasaccharide repeating unit of the O-polysaccharide from Azospirillum brasilense SR80. Stepwise glycosylation of the rationally protected thioglycoside donors activated by NIS in the presence of La(OTf)3 furnished the target tetrasaccharide. The glycosylation reactions resulted in the formation of the desired linkage with absolute stereoselectivity and afforded the required derivatives in good to excellent yields. The phthalimido group has been used as the precursor of the desired acetamido group to meet the requirement of 1,2-trans glycosidic linkage. Copyright © 2015 Elsevier Ltd. All rights reserved.

6-Azabicyclo[3.2.1]octanes Via Copper-Catalyzed Enantioselective Alkene Carboamination

PubMed Central

Casavant, Barbara J.; Hosseini, Azade S.

2014-01-01

Bridged bicyclic rings containing nitrogen heterocycles are important motifs in bioactive small organic molecules. An enantioselective copper-catalyzed alkene carboamination reaction that creates bridged heterocycles is reported herein. Two new rings are formed in this alkene carboamination reaction where N-sulfonyl-2-aryl-4-pentenamines are converted to 6-azabicyclo[3.2.1]octanes using [Ph-Box-Cu](OTf)2 or related catalysts in the presence of MnO2 as stoichiometric oxidant in moderate to good yields and generally excellent enantioselectivities. Two new stereocenters are formed in the reaction, and the C-C bond-forming arene addition is a net C-H functionalization. PMID:25484848

Mechanistic Analysis of the C-H Amination Reaction of Menthol by CuBr2 and Selectfluor.

PubMed

Sathyamoorthi, Shyam; Lai, Yin-Hung; Bain, Ryan M; Zare, Richard N

2018-05-18

The mechanism of the Ritter-type C-H amination reaction of menthol with acetonitrile using CuBr 2 , Selectfluor, and Zn(OTf) 2 , first disclosed by Baran and coworkers in 2012, was studied using a combination of online electrospray ionization mass spectrometry, continuous UV/vis spectrometric monitoring, and density functional theory calculations. In addition to corroborating Baran's original mechanistic proposal, these studies uncovered a second pathway to product formation, which likely only occurs in microdroplets. DFT calculations show that neither pathway has a barrier that is greater than 6.8 kcal/mol, suggesting that both mechanisms are potentially operative under ambient conditions.

Conceptual Designs for Berthing Pier Galleries and Deck Lighting.

DTIC Science & Technology

1983-06-01

to 100 feet wide and 1,200 feet long, providing four 600-foot-long berths. o For des ign purposes, a pier should accommodate a maximum of eight ships...points4. It identifies the locrit ion aind 01 ovat ion otf eajch service for oarih des igo ship frht tror and port si d-. Th is, wais used tO de to rino t...rung a n I or ea chI 11li O!l ip11), :id pos it ion i g moo r inig f it t ings alIong the p)iecr t o prope-rly, .ree;,modrite all of the des ;ign clalss

GPS Tides and Datums

DTIC Science & Technology

1994-07-01

REPORT DOCUMENTATION PAGE Form Ap~ovd -qmp Pu~~~~~~~~~~hc~~~~~ omef.A Nu0001U~ 0Itg O Mcq ~n, ’tmoa1a q 0 0 fft *cuqIO~ ’W𔃻i.q~ii os .ete .7qO0t.Aqea...water level heights. Using OTF technology it should be possible to obtain a time series of water surface heights to an accuracy of 1 to 2 ymfa...receiver location. 14. SUBJECT TERMS 15. NUMBER OF PAGES On-the-Fly, study of water levels , datum, Bay of Fundy 10 16. PRICE CODE 17. SECURITY

The Orbital Maneuvering Vehicle Training Facility visual system concept

NASA Technical Reports Server (NTRS)

Williams, Keith

1989-01-01

The purpose of the Orbital Maneuvering Vehicle (OMV) Training Facility (OTF) is to provide effective training for OMV pilots. A critical part of the training environment is the Visual System, which will simulate the video scenes produced by the OMV Closed-Circuit Television (CCTV) system. The simulation will include camera models, dynamic target models, moving appendages, and scene degradation due to the compression/decompression of video signal. Video system malfunctions will also be provided to ensure that the pilot is ready to meet all challenges the real-world might provide. One possible visual system configuration for the training facility that will meet existing requirements is described.

Catalytic asymmetric ring-opening of meso-aziridines with malonates under heterodinuclear rare earth metal Schiff base catalysis.

PubMed

Xu, Yingjie; Lin, Luqing; Kanai, Motomu; Matsunaga, Shigeki; Shibasaki, Masakatsu

2011-04-20

Catalytic asymmetric ring-opening of meso-aziridines with malonates is described. The combined use of two rare earth metal sources with different properties promoted the desired ring-opening reaction. A 1:1:1 mixture of a heterobimetallic La(O-iPr)(3)/Yb(OTf)(3)/Schiff base 1a (0.25-10 mol %) efficiently promoted the reaction of five-, six-, and seven-membered ring cyclic meso-aziridines as well as acyclic meso-aziridines with dimethyl, diethyl, and dibenzyl malonates, giving chiral cyclic and acyclic γ-amino esters in 99-63% yield and >99.5-97% ee.

Ion dipole capture cross sections at low ion and rotational energies - Comparison of integrated capture cross sections with reaction cross sections for NH3 and H2O parent-ion collisions.

NASA Technical Reports Server (NTRS)

Dugan, J. V., Jr.; Canright, R. B., Jr.

1972-01-01

The numerical capture cross section is calculated from the capture ratio, defined as the fraction of trajectories reaching a prescribed minimum separation of 3 A. The calculated capture cross sections for a rotational temperature of 77 K suggest large reaction cross sections in 80 K experiments for the large dipole-moment target, methyl cyanide.

Sex- and age-related differences in mid-thigh composition and muscle quality determined by computed tomography in middle-aged and elderly Japanese.

PubMed

Kasai, Takehiro; Ishiguro, Naoki; Matsui, Yasumoto; Harada, Atsushi; Takemura, Marie; Yuki, Atsumu; Kato, Yuki; Otsuka, Rei; Ando, Fujiko; Shimokata, Hiroshi

2015-06-01

Sex- and age-related differences in mid-thigh composition and muscle quality remain unclear. The present study aimed to clarify these differences using computed tomography in middle-aged and elderly Japanese. A total of 2310 participants (age 40-89 years), who were randomly selected from the local residents, underwent computed tomography examination of the right mid-thigh. Thigh circumference and cross-sectional areas of the thigh, muscle, quadriceps, non-quadriceps, fat, and bone were measured. Knee extension strength and muscle quality index (knee extension strength/quadriceps cross-sectional area) were also assessed. Sex- and age-related differences in these indices were analyzed. The thigh cross-sectional area in men and women decreased by 0.6% and 0.5%/year, respectively, because of a decrease in muscle cross-sectional area (men 75.2%, women 40.6%), fat cross-sectional area (men 24.4%, women 59.6%) and bone cross-sectional area (men 0.5%, women -0.2%). Muscle cross-sectional area in men and women decreased by 0.6% and 0.4%/year, respectively, because of a decrease in quadriceps cross-sectional area (men 65.6%, women 81.6%) and non-quadriceps cross-sectional area (men 34.4%, women 18.4%). Muscle quality in men and women decreased by 0.4% and 0.3%/year, respectively. Thigh cross-sectional area decreased with age mainly because of a decrease in muscle cross-sectional area in men and fat cross-sectional area in women. The rate of decrease in muscle cross-sectional area was 1.5-fold higher in men than in women. Muscle cross-sectional area decreased with age mainly because of a decrease in quadriceps cross-sectional area, especially in women. Decrease in muscle quality with age was similar in both sexes. © 2014 Japan Geriatrics Society.

Total cross sections for positrons scattered elastically from helium based on new measurements of total ionization cross sections

NASA Technical Reports Server (NTRS)

Diana, L. M.; Chaplin, R. L.; Brooks, D. L.; Adams, J. T.; Reyna, L. K.

1990-01-01

An improved technique is presented for employing the 2.3m spectrometer to measure total ionization cross sections, Q sub ion, for positrons incident on He. The new ionization cross section agree with the values reported earlier. Estimates are also presented of total elastic scattering cross section, Q sub el, obtained by subtracting from total scattering cross sections, Q sub tot, reported in the literature, the Q sub ion and Q sub Ps (total positronium formation cross sections) and total excitation cross sections, Q sub ex, published by another researcher. The Q sub ion and Q sub el measured with the 3m high resolution time-of-flight spectrometer for 54.9eV positrons are in accord with the results from the 2.3m spectrometer. The ionization cross sections are in fair agreement with theory tending for the most part to be higher, especially at 76.3 and 88.5eV. The elastic cross section agree quite well with theory to the vicinity of 50eV, but at 60eV and above the experimental elastic cross sections climb to and remain at about 0.30 pi a sub o sq while the theoretical values steadily decrease.

Nano-fabricated plasmonic optical transformer

DOEpatents

Choo, Hyuck; Cabrini, Stefano; Schuck, P. James; Liang, Xiaogan; Yablonovitch, Eli

2015-06-09

The present invention provides a plasmonic optical transformer to produce a highly focuses optical beam spot, where the transformer includes a first metal layer, a dielectric layer formed on the first metal layer, and a second metal layer formed on the dielectric layer, where the first metal layer, the dielectric layer, and the second layer are patterned to a shape including a first section having a first cross section, a second section following the first section having a cross-section tapering from the first section to a smaller cross-section, and a third section following the second section having a cross-section matching the tapered smaller cross-section of the second section.

Geologic cross section C-C' through the Appalachian basin from Erie County, north-central Ohio, to the Valley and Ridge province, Bedford County, south-central Pennsylvania

USGS Publications Warehouse

Ryder, Robert T.; Trippi, Michael H.; Swezey, Christopher S.; Crangle, Robert D.; Hope, Rebecca S.; Rowan, Elisabeth L.; Lentz, Erika E.

2012-01-01

Geologic cross section C-C' is the third in a series of cross sections constructed by the U.S. Geological Survey (USGS) to document and improve understanding of the geologic framework and petroleum systems of the Appalachian basin. Cross section C-C' provides a regional view of the structural and stratigraphic framework of the Appalachian basin from north-central Ohio to the Valley and Ridge province in south-central Pennsylvania, a distance of approximately 260 miles (mi). This cross section is a companion to cross sections E-E' and D-D' that are located about 50 to 125 mi and 25 to 50 mi, respectively, to the southwest. Cross section C-C' contains much information that is useful for evaluating energy resources in the Appalachian basin. Although specific petroleum systems are not identified on the cross section, many of their key elements (such as source rocks, reservoir rocks, seals, and traps) can be inferred from lithologic units, unconformities, and geologic structures shown on the cross section. Other aspects of petroleum systems (such as the timing of petroleum generation and preferred migration pathways) may be evaluated by burial history, thermal history, and fluid flow models based on what is shown on the cross section. Cross section C-C' also provides a general framework (stratigraphic units and general rock types) for the coal-bearing section, although the cross section lacks the detail to illustrate key elements of coal systems (such as paleoclimate, coal quality, and coal rank). In addition, cross section C-C' may be used as a reconnaissance tool to identify plausible geologic structures and strata for the subsurface storage of liquid waste or for the sequestration of carbon dioxide.

Multistrand superconductor cable

DOEpatents

Borden, Albert R.

1985-01-01

Improved multistrand Rutherford-type superconductor cable is produced by using strands which are preformed, prior to being wound into the cable, so that each strand has a variable cross section, with successive portions having a substantially round cross section, a transitional oval cross section, a rectangular cross section, a transitional oval cross section, a round cross section and so forth, in repetitive cycles along the length of the strand. The cable is wound and flattened so that the portions of rectangular cross section extend across the two flat sides of the cable at the strand angle. The portions of round cross section are bent at the edges of the flattened cable, so as to extend between the two flat sides. The rectangular portions of the strands slide easily over one another, so as to facilitate flexing and bending of the cable, while also minimizing the possibility of causing damage to the strands by such flexing or bending. Moreover, the improved cable substantially maintains its compactness and cross-sectional shape when the cable is flexed or bent.

Reactions of fac-[Re(CO)3(H2O)3]+ with nucleoside diphosphates and thiamine diphosphate in aqueous solution investigated by multinuclear NMR spectroscopy.

PubMed

Adams, Kristie M; Marzilli, Patricia A; Marzilli, Luigi G

2007-10-29

Products formed between monoester diphosphates (MDPs) and fac-[Re(CO)3(H2O)3]OTf at pH 3.6 were examined. Such adducts of the fac-[Re(CO)3]+ moiety have an uncommon combination of properties for an "inert" metal center in that sharp NMR signals can be observed, yet the products are equilibrating at rates allowing NMR EXSY cross-peaks to be observed. Thiamine diphosphate (TDP) and uridine 5'-diphosphate (5'-UDP) form 1:1 bidentate {Palpha,Pbeta} chelates, in which the MDP binds Re(I) via Palpha and Pbeta phosphate groups. Asymmetric centers are created at Re(I) (RRe/SRe) and Palpha (Delta/Lambda), leading to four diastereomers. The two mirror pairs of diastereomers (RReDelta/SReLambda) and (RReLambda/SReDelta) for TDP (no ribose) and for all four diastereomers (RReDelta, RReLambda, SReDelta, SReLambda) for 5'-UDP (asymmetric ribose) gave two and four sets of NMR signals for the bound MDP, respectively. 31Palpha-31Palpha EXSY cross-peaks indicate that the fac-[Re(CO)3(H2O)({Palpha,Pbeta}MDP)]- isomers interchange slowly on the NMR time scale, with an average k approximately equal to 0.8 s(-1) at 32 degrees C; the EXSY cross-peaks could arise from chirality changes at only Re(I) or at only Palpha. Guanosine 5'-diphosphate (5'-GDP), with a ribose moiety and a Re(I)-binding base, formed both possible diastereomers (RRe and SRe) of the fac-[Re(CO)3(H2O)({N7,Pbeta}GDP)]- macrochelate, with one slightly more abundant diastereomer suggested to be RRe by Mn2+ ion 1H NMR signal line-broadening combined with distances from molecular models. Interchange of the diastereomers requires that the coordination site of either N7 or Pbeta move to the H2O site. 31Palpha-31Palpha EXSY cross-peaks indicate a k approximately equal to 0.5 s(-1) at 32 degrees C for RRe-to-SRe interchange. The similarity of the rate constants for interchange of fac-[Re(CO)3(H2O)({Palpha,Pbeta}MDP)]- and fac-[Re(CO)3(H2O)({N7,Pbeta}GDP)]- adducts suggest strongly that interchange of Pbeta and H2O coordination positions accounts for the EXSY cross-peaks present in the spectra of all adducts.

AMPX: a modular code system for generating coupled multigroup neutron-gamma libraries from ENDF/B

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greene, N.M.; Lucius, J.L.; Petrie, L.M.

1976-03-01

AMPX is a modular system for producing coupled multigroup neutron-gamma cross section sets. Basic neutron and gamma cross-section data for AMPX are obtained from ENDF/B libraries. Most commonly used operations required to generate and collapse multigroup cross-section sets are provided in the system. AMPX is flexibly dimensioned; neutron group structures, and gamma group structures, and expansion orders to represent anisotropic processes are all arbitrary and limited only by available computer core and budget. The basic processes provided will (1) generate multigroup neutron cross sections; (2) generate multigroup gamma cross sections; (3) generate gamma yields for gamma-producing neutron interactions; (4) combinemore » neutron cross sections, gamma cross sections, and gamma yields into final ''coupled sets''; (5) perform one-dimensional discrete ordinates transport or diffusion theory calculations for neutrons and gammas and, on option, collapse the cross sections to a broad-group structure, using the one-dimensional results as weighting functions; (6) plot cross sections, on option, to facilitate the ''evaluation'' of a particular multigroup set of data; (7) update and maintain multigroup cross section libraries in such a manner as to make it not only easy to combine new data with previously processed data but also to do it in a single pass on the computer; and (8) output multigroup cross sections in convenient formats for other codes. (auth)« less

Trunk Muscle Size and Composition Assessment in Older Adults with Chronic Low Back Pain: An Intra-Examiner and Inter-Examiner Reliability Study.

PubMed

Sions, Jaclyn Megan; Smith, Andrew Craig; Hicks, Gregory Evan; Elliott, James Matthew

2016-08-01

To evaluate intra- and inter-examiner reliability for the assessment of relative cross-sectional area, muscle-to-fat infiltration indices, and relative muscle cross-sectional area, i.e., total cross-sectional area minus intramuscular fat, from T1-weighted magnetic resonance images obtained in older adults with chronic low back pain. Reliability study. n = 13 (69.3 ± 8.2 years old) After lumbar magnetic resonance imaging, two examiners produced relative cross-sectional area measurements of multifidi, erector spinae, psoas, and quadratus lumborum by tracing regions of interest just inside fascial borders. Pixel-intensity summaries were used to determine muscle-to-fat infiltration indices; relative muscle cross-sectional area was calculated. Intraclass correlation coefficients were used to estimate intra- and inter-examiner reliability; standard error of measurement was calculated. Intra-examiner intraclass correlation coefficient point estimates for relative cross-sectional area, muscle-to-fat infiltration indices, and relative muscle cross-sectional area were excellent for multifidi and erector spinae across levels L2-L5 (ICC = 0.77-0.99). At L3, intra-examiner reliability was excellent for relative cross-sectional area, muscle-to-fat infiltration indices, and relative muscle cross-sectional area for both psoas and quadratus lumborum (ICC = 0.81-0.99). Inter-examiner intraclass correlation coefficients ranged from poor to excellent for relative cross-sectional area, muscle-to-fat infiltration indices, and relative muscle cross-sectional area. Assessment of relative cross-sectional area, muscle-to-fat infiltration indices, and relative muscle cross-sectional area in older adults with chronic low back pain can be reliably determined by one examiner from T1-weighted images. Such assessments provide valuable information, as muscle-to-fat infiltration indices and relative muscle cross-sectional area indicate that a substantial amount of relative cross-sectional area may be magnetic resonance-visible intramuscular fat in older adults with chronic low back pain. © 2015 American Academy of Pain Medicine. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Calculation of total and ionization cross sections for electron scattering by primary benzene compounds

NASA Astrophysics Data System (ADS)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet; Antony, Bobby

2016-07-01

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observations for all the targets reported here, especially for the total cross section.

Parameterized Cross Sections for Pion Production in Proton-Proton Collisions

NASA Technical Reports Server (NTRS)

Blattnig, Steve R.; Swaminathan, Sudha R.; Kruger, Adam T.; Ngom, Moussa; Norbury, John W.; Tripathi, R. K.

2000-01-01

An accurate knowledge of cross sections for pion production in proton-proton collisions finds wide application in particle physics, astrophysics, cosmic ray physics, and space radiation problems, especially in situations where an incident proton is transported through some medium and knowledge of the output particle spectrum is required when given the input spectrum. In these cases, accurate parameterizations of the cross sections are desired. In this paper much of the experimental data are reviewed and compared with a wide variety of different cross section parameterizations. Therefore, parameterizations of neutral and charged pion cross sections are provided that give a very accurate description of the experimental data. Lorentz invariant differential cross sections, spectral distributions, and total cross section parameterizations are presented.

An investigation of MCNP6.1 beryllium oxide S(α, β) cross sections

DOE PAGES

Sartor, Raymond F.; Glazener, Natasha N.

2016-03-08

In MCNP6.1, materials are constructed by identifying the constituent isotopes (or elements in a few cases) individually. This list selects the corresponding microscopic cross sections calculated from the free-gas model to create the material macroscopic cross sections. Furthermore, the free-gas model and the corresponding material macroscopic cross sections assume that the interactions of atoms do not affect the nuclear cross sections.

DBCC Software as Database for Collisional Cross-Sections

NASA Astrophysics Data System (ADS)

Moroz, Daniel; Moroz, Paul

2014-10-01

Interactions of species, such as atoms, radicals, molecules, electrons, and photons, in plasmas used for materials processing could be very complex, and many of them could be described in terms of collisional cross-sections. Researchers involved in plasma simulations must select reasonable cross-sections for collisional processes for implementing them into their simulation codes to be able to correctly simulate plasmas. However, collisional cross-section data are difficult to obtain, and, for some collisional processes, the cross-sections are still not known. Data on collisional cross-sections can be obtained from numerous sources including numerical calculations, experiments, journal articles, conference proceedings, scientific reports, various universities' websites, national labs and centers specifically devoted to collecting data on cross-sections. The cross-sections data received from different sources could be partial, corresponding to limited energy ranges, or could even not be in agreement. The DBCC software package was designed to help researchers in collecting, comparing, and selecting cross-sections, some of which could be constructed from others or chosen as defaults. This is important as different researchers may place trust in different cross-sections or in different sources. We will discuss the details of DBCC and demonstrate how it works and why it is beneficial to researchers working on plasma simulations.

Geologic Cross Section E-E' through the Appalachian Basin from the Findlay Arch, Wood County, Ohio, to the Valley and Ridge Province, Pendleton County, West Virginia

USGS Publications Warehouse

Ryder, Robert T.; Swezey, Christopher S.; Crangle, Robert D.; Trippi, Michael H.

2008-01-01

Geologic cross section E-E' is the first in a series of cross sections planned by the U.S. Geological Survey (USGS) to document and improve understanding of the geologic framework and petroleum systems of the Appalachian basin. Cross section E-E' provides a regional view of the structural and stratigraphic framework of the basin from the Findlay arch in northwestern Ohio to the Valley and Ridge province in eastern West Virginia, a distance of approximately 380 miles (mi) (fig. 1, on sheet 1). Cross section E-E' updates earlier geologic cross sections through the central Appalachian basin by Renfro and Feray (1970), Bennison (1978), and Bally and Snelson (1980) and a stratigraphic cross section by Colton (1970). Although other published cross sections through parts of the basin show more structural detail (for example, Shumaker, 1985; Kulander and Dean, 1986) and stratigraphic detail (for example, Ryder, 1992; de Witt and others, 1993; Hettinger, 2001), these other cross sections are of more limited extent geographically and stratigraphically. Although specific petroleum systems in the Appalachian basin are not identified on the cross section, many of their key elements (such as source rocks, reservoir rocks, seals, and traps) can be inferred from lithologic units, unconformities, and geologic structures shown on the cross section. Other aspects of petroleum systems (such as the timing of petroleum generation and preferred migration pathways) may be evaluated by burial history, thermal history, and fluid flow models based on information shown on the cross section. Cross section E-E' lacks the detail to illustrate key elements of coal systems (such as paleoclimate, coal quality, and coal rank), but it does provide a general framework (stratigraphic units and general rock types) for the coal-bearing section. Also, cross section E-E' may be used as a reconnaissance tool to identify plausible geologic structures and strata for the subsurface storage of liquid waste (for example, Colton, 1961; Lloyd and Reid, 1990) or for the sequestration of carbon dioxide (for example, Smith and others, 2002; Lucier and others, 2006).

A comparison of total reaction cross section models used in particle and heavy ion transport codes

NASA Astrophysics Data System (ADS)

Sihver, Lembit; Lantz, M.; Takechi, M.; Kohama, A.; Ferrari, A.; Cerutti, F.; Sato, T.

To be able to calculate the nucleon-nucleus and nucleus-nucleus total reaction cross sections with precision is very important for studies of basic nuclear properties, e.g. nuclear structure. This is also of importance for particle and heavy ion transport calculations because, in all particle and heavy ion transport codes, the probability function that a projectile particle will collide within a certain distance x in the matter depends on the total reaction cross sections. Furthermore, the total reaction cross sections will also scale the calculated partial fragmentation cross sections. It is therefore crucial that accurate total reaction cross section models are used in the transport calculations. In this paper, different models for calculating nucleon-nucleus and nucleus-nucleus total reaction cross sections are compared and discussed.

Vertically stabilized elongated cross-section tokamak

DOEpatents

Sheffield, George V.

1977-01-01

This invention provides a vertically stabilized, non-circular (minor) cross-section, toroidal plasma column characterized by an external separatrix. To this end, a specific poloidal coil means is added outside a toroidal plasma column containing an endless plasma current in a tokamak to produce a rectangular cross-section plasma column along the equilibrium axis of the plasma column. By elongating the spacing between the poloidal coil means the plasma cross-section is vertically elongated, while maintaining vertical stability, efficiently to increase the poloidal flux in linear proportion to the plasma cross-section height to achieve a much greater plasma volume than could be achieved with the heretofore known round cross-section plasma columns. Also, vertical stability is enhanced over an elliptical cross-section plasma column, and poloidal magnetic divertors are achieved.

BACKSCAT Lidar Simulation Version 3.0: Technical Documentation and Users Guide

DTIC Science & Technology

1992-12-03

Raman Cross Section of Some Simple Gases, J. Opt. Soc. Am., 63:73. 20 Penny, C.M., St. Peters, R.L., and Lapp, M., (1974) Absolute Rotational Raman...of the molecule, and the remaining columns list the relative normalized cross sections for the respective excitation wavelength. The absolute Raman...cross section is obtained by simply multiplying the relative normalized cross section for a molecular species of interest by the absolute cross section

Energy and Mass-Number Dependence of Hadron-Nucleus Total Reaction Cross Sections

NASA Astrophysics Data System (ADS)

Kohama, Akihisa; Iida, Kei; Oyamatsu, Kazuhiro

2016-09-01

We thoroughly investigate how proton-nucleus total reaction cross sections depend on the target mass number A and the proton incident energy. In doing so, we systematically analyze nuclear reaction data that are sensitive to nuclear size, namely, proton-nucleus total reaction cross sections and differential elastic cross sections, using a phenomenological black-sphere approximation of nuclei that we are developing. In this framework, the radius of the black sphere is found to be a useful length scale that simultaneously accounts for the observed proton-nucleus total reaction cross section and first diffraction peak in the proton elastic differential cross section. This framework, which is shown here to be applicable to antiprotons, is expected to be applicable to any kind of projectile that is strongly attenuated in the nucleus. On the basis of a cross-section formula constructed within this framework, we find that a less familiar A1/6 dependence plays a crucial role in describing the energy dependence of proton-nucleus total reaction cross sections.

Activation cross section and isomeric cross-section ratio for the 151Eu(n,2n)150m,gEu process

NASA Astrophysics Data System (ADS)

Luo, Junhua; Li, Suyuan; Jiang, Li

2018-07-01

The cross sections of 151Eu(n,2n)150m,gEu reactions and their isomeric cross section ratios σm/σt have been measured experimentally. Cross sections are measured, relative to a reference 93Nb(n,2n)92mNb reaction cross section, by means of the activation technique at three neutron energies 13.5, 14.1, and 14.8 MeV. Monoenergetic neutron beams were formed via the 3H(d,n)4He reaction and both Eu2O3 samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The activities induced in the reaction products were measured using high-resolution gamma ray spectroscopy. Cross sections were also evaluated theoretically using the numerical nuclear model code, TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Total reaction cross sections in CEM and MCNP6 at intermediate energies

DOE PAGES

Kerby, Leslie M.; Mashnik, Stepan G.

2015-05-14

Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used inmore » the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.« less

Total reaction cross sections in CEM and MCNP6 at intermediate energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerby, Leslie M.; Mashnik, Stepan G.

Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used inmore » the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.« less

An Expert System Decision Aid for a Command, Control and Communications Operator.

DTIC Science & Technology

1985-12-01

34ET F.:E310N INJ) IF LN’ HLC T 2=.,69 LN’ HLaaOi’=1 L N ’-: H L I-T’ T THEN (TaETa RE’ION ’WES); rIF LNI- HLa .1 3 -, ~~L N L: H L C-1 N G3 > 19...HY’OTF:AN:.:FEF: ’ T) Ru n:Ur i:- ’[ - _ N R: E -]; 0-L YV ED ’ .’qT C-I P ). " I F B27 : B,:ar d E ’N1iIB [F: K.= 2 GETPROP E’ENTMT1TCH ’ P2CONFIDENC:E

Copper-catalyzed C(sp3)-OH cleavage with concomitant C-C coupling: synthesis of 3-substituted isoindolinones.

PubMed

Rao, H Surya Prakash; Rao, A Veera Bhadra

2015-02-06

Copper(II) trifluoromethanesulfonate (Cu(OTf)2) efficiently catalyzes the C-C coupling of 3-hydoxyisoindolinones with a variety of aryl-, heteroaryl-, and alkenylboronic acids to furnish C(3) aryl-, heteroaryl-, and alkenyl-substituted isoindolinones. The coupling reactions work smoothly in 1,2-dicholoroethane (DCE) reflux, to effect both inter- and intramolecular versions. This is the first report on C(sp(3))-OH cleavage with concomitant C-C coupling. The photolabile 2-nitrobenzyl protecting group is most appropriate for promotion of the coupling reaction and for deprotection. The tetracyclic ring motif of the alkaloid neuvamine was prepared by applying the newly developed copper-catalyzed C-C coupling.

Copper-catalyzed direct synthesis of diaryl 1,2-diketones from aryl iodides and propiolic acids.

PubMed

Min, Hongkeun; Palani, Thiruvengadam; Park, Kyungho; Hwang, Jinil; Lee, Sunwoo

2014-07-03

Benzil derivatives such as diaryl 1,2-diketones are synthesized via the direct decarboxylative coupling reaction of aryl propiolic acids and their oxidation. The optimized conditions are that the reaction of aryl propiolic acids and aryl iodides is conducted at 140 °C for 6 h in the presence of 10 mol % CuI/Cu(OTf)2 and Cs2CO3, after which HI (aq) is added and further reacted. The method shows good functional group tolerance toward ester, aldehyde, cyano, and nitro groups. In addition, symmetrical diaryl 1,2-diketones are obtained from aryl iodides and propiolic acid in the presence of palladium and copper catalysts.

Compendium of Abstracts and Viewgraphs. International Workshop on Composite Materials and Structures for Rotorcraft (2nd) Held Rensselaer Polytechnic Institute, Troy, New York on 14-15 September 1989

DTIC Science & Technology

1989-11-30

The design of Composite Rotor Blades requires the analysis of tridimen- sional stress states including interlaminar stresses. Despite the powerfulness ...1500 grid points (-7000 DOF’s) * 350 8- noded shell elements ANALYTICAL SOLUTION General Differential Equation D22W1i + Elltf =otf - w y , W(x) L...STRAIN a (s) s = s22 K2 (1P) = (K12)2 / 11K22 GRiEF SPAR E+20,-70,+20,-70,-70,+201 NACA 0012 2.60 5 FE 802 6 S03 2 801 0o1 20 30 40 RADIAL STATION . IN

Conservatism implications of shock test tailoring for multiple design environments

NASA Technical Reports Server (NTRS)

Baca, Thomas J.; Bell, R. Glenn; Robbins, Susan A.

1987-01-01

A method for analyzing shock conservation in test specifications that have been tailored to qualify a structure for multiple design environments is discussed. Shock test conservation is qualified for shock response spectra, shock intensity spectra and ranked peak acceleration data in terms of an Index of Conservation (IOC) and an Overtest Factor (OTF). The multi-environment conservation analysis addresses the issue of both absolute and average conservation. The method is demonstrated in a case where four laboratory tests have been specified to qualify a component which must survive seven different field environments. Final judgment of the tailored test specification is shown to require an understanding of the predominant failure modes of the test item.

Proton-Nucleus Elastic Cross Sections Using Two-Body In-Medium Scattering Amplitudes

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, John W.; Cucinotta, Francis A.

2001-01-01

Recently, a method was developed of extracting nucleon-nucleon (NN) cross sections in the medium directly from experiment. The in-medium NN cross sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the Langley Research Center. The ratio of the real to the imaginary part of the two-body scattering amplitude in the medium was investigated. These ratios are used in combination with the in-medium NN cross sections to calculate elastic proton-nucleus cross sections. The agreement is excellent with the available experimental data. These cross sections are needed for the radiation risk assessment of space missions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observationsmore » for all the targets reported here, especially for the total cross section.« less

Temperature dependence of the HNO3 UV absorption cross sections

NASA Technical Reports Server (NTRS)

Burkholder, James B.; Talukdar, Ranajit K.; Ravishankara, A. R.; Solomon, Susan

1993-01-01

The temperature dependence of the HNO3 absorption cross sections between 240 and 360 K over the wavelength range 195 to 350 nm has been measured using a diode array spectrometer. Absorption cross sections were determined using both (1) absolute pressure measurements at 298 K and (2) a dual absorption cell arrangement in which the absorption spectrum at various temperatures is measured relative to the room temperature absorption spectrum. The HNO3 absorption spectrum showed a temperature dependence which is weak at short wavelengths but stronger at longer wavelengths which are important for photolysis in the lower stratosphere. The 298 K absorption cross sections were found to be larger than the values currently recommended for atmospheric modeling (DeMore et al., 1992). Our absorption cross section data are critically compared with the previous measurements of both room temperature and temperature-dependent absorption cross sections. Temperature-dependent absorption cross sections of HNO3 are recommended for use in atmospheric modeling. These temperature dependent HNO3 absorption cross sections were used in a two-dimensional dynamical-photochemical model to demonstrate the effects of the revised absorption cross sections on loss rate of HNO3 and the abundance of NO2 in the stratosphere.

Cross sections for direct and dissociative ionization of NH3 and CS2 by electron impact

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Srivastava, S. K.

1991-01-01

A crossed electron beam-molecular beam collision geometry is used to measure cross sections for the production of positive ions by electron impact on NH3 and CS2. Ionization cross-section data for NH3 and the values of various cross sections are presented, as well as ionization efficiency curves for CS2. Considerable differences are found between the various results on NH3. The present values are close to the data of Djuric et al. (1981). The semiempirical calculations of Hare and Meath (1987) differ considerably in the absolute values of cross sections. Discrepancies were observed in comparisons of cross sections of other fragment ions resulting from the ionization and dissociate ionization of NH3.

Nuclear Forensics and Radiochemistry: Cross Sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rundberg, Robert S.

The neutron activation of components in a nuclear device can provide useful signatures of weapon design or sophistication. This lecture will cover some of the basics of neutron reaction cross sections. Nuclear reactor cross sections will also be presented to illustrate the complexity of convolving neutron energy spectra with nuclear excitation functions to calculate useful effective reactor cross sections. Deficiencies in the nuclear database will be discussed along with tools available at Los Alamos to provide new neutron cross section data.

Fragmentation Cross Sections of Medium-Energy 35Cl, 40Ar, and 48TiBeams on Elemental Targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeitlin, C.; Guetersloh, S.; Heilbronn, L.

Charge-changing and fragment production cross sections at 0degrees have been obtained for interactions of 290, 400, and 650MeV/nucleon 40Ar beams, 650 and 1000 MeV/nucleon 35Cl beams, and a 1000MeV/nucleon 48Ti beam. Targets of C, CH2, Al, Cu, Sn, and Pb were used.Using standard analysis methods, we obtain fragment cross sections forcharges as low as 8 for Cl and Ar beams, and as low as 10 for the Tibeam. Using data obtained with small-acceptance detectors, we reportfragment production cross sections for charges as low as 5, corrected foracceptance using a simple model of fragment angular distributions. Withthe lower-charged fragment cross sections,more » we cancompare the data topredictions from several models (including NUCFRG2, EPAX2, and PHITS) ina region largely unexplored in earlier work. As found in earlier workwith other beams, NUCFRG2 and PHITS predictions agree reasonably wellwith the data for charge-changing cross sections, but do not accuratelypredict the fragment production cross sections. The cross sections forthe lightest fragments demonstrate the inadequacy of several models inwhich the cross sections fall monotonically with the charge of thefragment. PHITS, despite not agreeing particularly well with the fragmentproduction cross sections on average, nonetheless qualitativelyreproduces somesignificant features of the data that are missing from theother models.« less

Cross section and γ-ray spectra for U238(n,γ) measured with the DANCE detector array at the Los Alamos Neutron Science Center

NASA Astrophysics Data System (ADS)

Ullmann, J. L.; Kawano, T.; Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; O'Donnell, J. M.; Rundberg, R. S.; Vieira, D. J.; Wilhelmy, J. B.; Becker, J. A.; Chyzh, A.; Wu, C. Y.; Baramsai, B.; Mitchell, G. E.; Krtička, M.

2014-03-01

Background: Accurate knowledge of the U238(n,γ) cross section is important for developing theoretical nuclear reaction models and for applications. However, capture cross sections are difficult to calculate accurately and often must be measured. Purpose: We seek to confirm previous measurements and test cross-section calculations with an emphasis on the unresolved resonance region from 1 to 500 keV. Method: Cross sections were measured from 10 eV to 500 keV using the DANCE detector array at the LANSCE spallation neutron source. The measurements used a thin target, 48 mg/cm2 of depleted uranium. Gamma cascade spectra were also measured to provide an additional constraint on calculations. The data are compared to cross-section calculations using the code CoH3 and cascade spectra calculations made using the code dicebox. Results: This new cross-section measurement confirms the previous data. The measured gamma-ray spectra suggest the need for additional low-lying dipole strength in the radiative strength function. New Hauser-Feshbach calculations including this strength accurately predict the capture cross section without renormalization. Conclusions: The present cross-section data confirm previous measurements. Including additional low-lying dipole strength in the radiative strength function may lead to more accurate cross-section calculations in nuclei where <Γγ> has not been measured.

High resolution absorption cross sections in the transmission window region of the Schumann-Runge bands and Herzberg continuum of O2

NASA Technical Reports Server (NTRS)

Yoshino, K.; Esmond, J. R.; Cheung, A. S.-C.; Freeman, D. E.; Parkinson, W. H.

1992-01-01

Results are presented on measurements, conducted in the wavelength region 180-195 nm, and at different pressures of oxygen (between 2.5-760 torr) in order to separate the pressure-dependent absorption from the main cross sections, of the absorption cross sections of the Schumann-Runge bands in the window region between the rotational lines of S-R bands of O2. The present cross sections supersede the earlier published cross sections (Yoshino et al., 1983). The combined cross sections are presented graphically; they are available at wavenumber intervals of about 0.1/cm from the National Space Science Data Center. The Herzberg continuum cross sections are derived after subtracting calculated contributions from the Schumann-Runge bands. These are significantly smaller than any previous measurements.

CEPXS

DOE Office of Scientific and Technical Information (OSTI.GOV)

2015-10-19

CEPXS is a multigroup-Legendre cross-section generating code. The cross sections produced by CEPXS enable coupled electron-photon transport calculations to be performed with multigroup radiation transport codes, e.g. MITS and SCEPTRE. CEPXS generates multigroup-Legendre cross sections for photons, electrons and positrons over the energy range from 100 MeV to 1.0 keV. The continuous slowing-down approximation is used for those electron interactions that result in small-energy losses. The extended transport correction is applied to the forward-peaked elastic scattering cross section for electrons. A standard multigroup-Legendre treatment is used for the other coupled electron-photon cross sections. CEPXS extracts electron cross-section information from themore » DATAPAC data set and photon cross-section information from Biggs-Lighthill data. The model that is used for ionization/relaxation in CEPXS is essentially the same as that employed in ITS.« less

Partial Photoneutron Cross Sections for 207,208Pb

NASA Astrophysics Data System (ADS)

Kondo, T.; Utsunomiya, H.; Goriely, S.; Iwamoto, C.; Akimune, H.; Yamagata, T.; Toyokawa, H.; Harada, H.; Kitatani, F.; Lui, Y.-W.; Hilaire, S.; Koning, A. J.

2014-05-01

Using linearly-polarized laser-Compton scattering γ-rays, partial E1 and M1 photoneutron cross sections along with total cross sections were determined for 207,208Pb at four energies near neutron threshold by measuring anisotropies in photoneutron emission. Separately, total photoneutron cross sections were measured for 207,208Pb with a high-efficiency 4π neutron detector. The partial cross section measurement provides direct evidence for the presence of pygmy dipole resonance (PDR) in 207,208Pb in the vicinity of neutron threshold. The strength of PDR amounts to 0.32%-0.42% of the Thomas-Reiche-Kuhn sum rule. Several μN2 units of B(M1)↑ strength were observed in 207,208Pb just above neutron threshold, which correspond to M1 cross sections less than 10% of the total photoneutron cross sections.

Geologic Cross Section D-D' Through the Appalachian Basin from the Findlay Arch, Sandusky County, Ohio, to the Valley and Ridge Province, Hardy County, West Virginia

USGS Publications Warehouse

Ryder, Robert T.; Crangle, Robert D.; Trippi, Michael H.; Swezey, Christopher S.; Lentz, Erika E.; Rowan, Elisabeth L.; Hope, Rebecca S.

2009-01-01

Geologic cross section D-D' is the second in a series of cross sections constructed by the U.S. Geological Survey to document and improve understanding of the geologic framework and petroleum systems of the Appalachian basin. Cross section D-D' provides a regional view of the structural and stratigraphic framework of the Appalachian basin from the Findlay arch in northwestern Ohio to the Valley and Ridge province in eastern West Virginia, a distance of approximately 290 miles. The information shown on the cross section is based on geological and geophysical data from 13 deep drill holes, several of which penetrate the Paleozoic sedimentary rocks of the basin and bottom in Mesoproterozoic (Grenville-age) crystalline basement rocks. This cross section is a companion to cross section E-E' (Ryder and others, 2008) that is located about 25 to 50 mi to the southwest. Although specific petroleum systems in the Appalachian basin are not identified on the cross section, many of their key elements (such as source rocks, reservoir rocks, seals, and traps) can be inferred from lithologic units, unconformities, and geologic structures shown on the cross section. Other aspects of petroleum systems (such as the timing of petroleum generation and preferred migration pathways) may be evaluated by burial history, thermal history, and fluid flow models based on information shown on the cross section. Cross section D-D' lacks the detail to illustrate key elements of coal systems (such as paleoclimate, coal quality, and coal rank), but it does provide a general geologic framework (stratigraphic units and general rock types) for the coal-bearing section. Also, cross section D-D' may be used as a reconnaissance tool to identify plausible geologic structures and strata for the subsurface storage of liquid waste or for the sequestration of carbon dioxide.

Electron impact excitation of SO2 - Differential, integral, and momentum transfer cross sections

NASA Technical Reports Server (NTRS)

Vuskovic, L.; Trajmar, S.

1982-01-01

Electron impact excitation of the electronic states of SO2 was investigated. Differential, integral, and inelastic momentum transfer cross sections were obtained by normalizing the relative measurements to the elastic cross sections. The cross sections are given for seven spectral ranges of the energy-loss spectra extending from the lowest electronic state to near the first ionization limit. Most of the regions represent the overlap of several electronic transitions. No measurements for these cross sections have been reported previously.

Proton-Nucleus Total Cross Sections in Coupled-Channel Approach

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, John W.; Cucinotta, Francis A.

2000-01-01

Recently, nucleon-nucleon (N-N) cross sections in the medium have been extracted directly from experiment. The in-medium N-N cross sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the Langley Research Center. In the present study the ratio of the real to the imaginary part of the two-body scattering amplitude in the medium was investigated. These ratios are used in combination with the in-medium N-N cross sections to calculate total proton-nucleus cross sections. The agreement is excellent with the available experimental data. These cross sections are needed for the radiation risk assessment of space missions.

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Electron impact scattering study of hypohalous acids HOX (X = F, Cl, Br, I)

NASA Astrophysics Data System (ADS)

Yadav, Hitesh; Bhutadia, Harshad; Prajapati, Dinesh; Desai, Hardik; Vinodkumar, Minaxi; Vinodkumar, P. C.

2018-05-01

In this article we aim to report total cross sections (TCS) QT, total elastic cross sections (Qel), total inelastic cross sections (Qinel) i.e. (total ionizations cross sections (Qion)+total electronic excitation cross sections (Qexc)) from threshold of the target to 5000 eV energy range. We have used a well-defined theoretical methodology Spherical Complex Optical Potential (SCOP) to compute QT, Qel and Qinel and Complex Scattering Potential - ionization contribution (CSP - ic) method to report the (Qion). The cross-sectional data reported here for the Hypohalous Acids is for the first time and the present data can become a guideline for the experimentalist to study these targets.

Rayleigh scattering cross sections of combustion species at 266, 355, and 532 nm for thermometry applications.

PubMed

Sutton, Jeffrey A; Driscoll, James F

2004-11-15

Rayleigh scattering cross sections are measured for nine combustion species (Ar, N2, O2, CO2, CO, H2, H2O, CH4, and C3H8) at wavelengths of 266, 355, and 532 nm and at temperatures ranging from 295 to 1525 K. Experimental results show that, as laser wavelengths become shorter, polarization effects become important and the depolarization ratio of the combustion species must be accounted for in the calculation of the Rayleigh scattering cross section. Temperature effects on the scattering cross section are also measured. Only a small temperature dependence is measured for cross sections at 355 nm, resulting in a 2-8% increase in cross section at temperatures of 1500 K. This temperature dependence increases slightly for measurements at 266 nm, resulting in a 5-11% increase in cross sections at temperatures of 1450 K.

Cross sections for n+{sup 14}N from an R-matrix analysis of the {sup 15}N system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hale, G.M.; Young, P.G.; Chadwick, M.B.

1994-06-01

As part of the Hiroshima-Nagasaki Dose Reevaluation Program, a new evaluation of the neutron cross sections for {sup 14}N was made for ENDF/B-VI, based at energies below 2.5 MeV on a multichannel R-matrix analysis of reactions in the {sup 15}N system. The types of data used in the analysis, and the resulting cross sections and resonance structure for {sup 15}N are briefly described. The resonant features of the neutron cross sections were especially well determined by including precise, high-resolution neutron total cross section measurements from ORNL. While the new evaluated cross section appear to be significant improvements over the earliermore » ones, they still need to be tested more extensively against recent measurements of the differential elastic cross section from Oak Ridge.« less

Electron impact cross sections for the 2,2P state excitation of lithium

NASA Technical Reports Server (NTRS)

Vuskovic, L.; Trajmar, S.; Register, D. F.

1982-01-01

Electron impact excitation of the 2p 2P state of Li was studied at 10, 20, 60, 100, 150 and 200 eV. Relative differential cross sections in the angular range 3-120 deg were measured and then normalized to the absolute scale by using the optical f value. Integral and momentum transfer cross sections were obtained by extrapolating the differential cross sections to 0 deg and to 180 deg. The question of normalizing electron-metal-atom collision cross sections in general was examined and the method of normalization to optical f values in particular was investigated in detail. It has been concluded that the extrapolation of the apparent generalized oscillator strength (obtained from the measured differential cross sections) to the zero momentum transfer limit with an expression using even powers of the momentum transfer and normalization of the limit to the optical f value yields reliable absolute cross sections.

The 75As(n,2n) Cross Sections into the 74As Isomer and Ground State

DOE Office of Scientific and Technical Information (OSTI.GOV)

Younes, W; Garrett, P E; Becker, J A

2003-06-30

The {sup 75}As(n, 2n) cross section for the population of the T{sub 1/2} = 26.8-ns isomer at E{sub x} = 259.3 keV in {sup 74}As has been measured as a function of incident neutron energy, from threshold to E{sub n} = 20 MeV. The cross section was measured using the GEANIE spectrometer at LANSCE/WNR. For convenience, the {sup 75}As(n, 2n) population cross section for the {sup 74}As ground state has been deduced as the difference between the previously-known (n, 2n) reaction cross section and the newly measured {sup 75}As(n, 2n){sup 74}As{sup m} cross section. The (n, 2n) reaction, ground-state, andmore » isomer population cross sections are tabulated in this paper.« less

Total and partial photoneutron cross sections for Pb isotopes

NASA Astrophysics Data System (ADS)

Kondo, T.; Utsunomiya, H.; Goriely, S.; Daoutidis, I.; Iwamoto, C.; Akimune, H.; Okamoto, A.; Yamagata, T.; Kamata, M.; Itoh, O.; Toyokawa, H.; Lui, Y.-W.; Harada, H.; Kitatani, F.; Hilaire, S.; Koning, A. J.

2012-07-01

Using quasimonochromatic laser-Compton scattering γ rays, total photoneutron cross sections were measured for 206,207,208Pb near neutron threshold with a high-efficiency 4π neutron detector. Partial E1 and M1 photoneutron cross sections along with total cross sections were determined for 207,208Pb at four energies near threshold by measuring anisotropies in photoneutron emission with linearly polarized γ rays. The E1 strength dominates over the M1 strength in the neutron channel where E1 photoneutron cross sections show extra strength of the pygmy dipole resonance in 207,208Pb near the neutron threshold corresponding to 0.32%-0.42% of the Thomas-Reiche-Kuhn sum rule. Several μN2 units of B(M1)↑ strength were observed in 207,208Pb just above neutron threshold, which correspond to an M1 cross section less than 10% of the total photoneutron cross section.

Mental Visualization of Objects from Cross-Sectional Images

ERIC Educational Resources Information Center

Wu, Bing; Klatzky, Roberta L.; Stetten, George D.

2012-01-01

We extended the classic anorthoscopic viewing procedure to test a model of visualization of 3D structures from 2D cross-sections. Four experiments were conducted to examine key processes described in the model, localizing cross-sections within a common frame of reference and spatiotemporal integration of cross sections into a hierarchical object…

Viscous Flow through Pipes of Various Cross-Sections

ERIC Educational Resources Information Center

Lekner, John

2007-01-01

An interesting variety of pipe cross-sectional shapes can be generated, for which the Navier-Stokes equations can be solved exactly. The simplest cases include the known solutions for elliptical and equilateral triangle cross-sections. Students can find pipe cross-sections from solutions of Laplace's equation in two dimensions, and then plot the…

Activation cross section and isomeric cross section ratio for the 76Ge(n,2n)75m,gGe process

NASA Astrophysics Data System (ADS)

Luo, Junhua; Jiang, Li; Wang, Xinxing

2018-04-01

We measured neutron-induced reaction cross sections for the 76Ge(n,2n)75m,gGe reactions and their isomeric cross section ratios σm/σg at three neutron energies between 13 and 15MeV by an activation and off-line γ-ray spectrometric technique using the K-400 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). Ge samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The monoenergetic neutron beams were formed via the 3H( d, n)4He reaction. The pure cross section of the ground state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. The cross sections were also calculated using the nuclear model code TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20MeV. Results are discussed and compared with the corresponding literature data.

O2 absorption cross sections /187-225 nm/ from stratospheric solar flux measurements

NASA Technical Reports Server (NTRS)

Herman, J. R.; Mentall, J. E.

1982-01-01

The absorption cross sections of molecular oxygen are calculated in the wavelength range from 187 to 230 nm from solar flux measurements obtained within the stratosphere. Within the Herzberg continuum wavelength region the molecular oxygen cross sections are found to be about 30% smaller than the laboratory results of Shardanand and Rao (1977) from 200 to 210 nm and about 50% smaller than those of Hasson and Nicholls (1971). At wavelengths longer than 210 nm the cross sections agree with those of Shardanand and Rao. The effective absorption cross sections of O2 in the Schumann-Runge band region from 187 to 200 nm are calculated and compared to the empirical fit given by Allen and Frederick (1982). The calculated cross sections indicate that the transmissivity of the atmosphere may be underestimated by the use of the Allen and Frederic cross sections between 195 and 200 nm. The ozone column content between 30 and 40 km and the relative ozone cross sections are determined from the same solar flux data set.

Using thermochonology to validate a balanced cross section along the Karnali River, far-western Nepal

NASA Astrophysics Data System (ADS)

Battistella, C.; Robinson, D.; McQuarrie, N.; Ghoshal, S.

2017-12-01

Multiple valid balanced cross sections can be produced from mapped surface and subsurface data. By integrating low temperature thermochronologic data, we are better able to predict subsurface geometries. Existing valid balanced cross section for far western Nepal are few (Robinson et al., 2006) and do not incorporate thermochronologic data because the data did not exist. The data published along the Simikot cross section along the Karnali River since then include muscovite Ar, zircon U-Th/He and apatite fission track. We present new mapping and a new valid balanced cross section that takes into account the new field data as well as the limitations that thermochronologic data places on the kinematics of the cross section. Additional constrains include some new geomorphology data acquired since 2006 that indicate areas of increased vertical uplift, which indicate locations of buried ramps in the Main Himalayan thrust and guide the locations of Lesser Himalayan ramps in the balanced cross section. Future work will include flexural modeling, new low temperature thermochronometic data, and 2-D thermokinematic models from a sequentially forward modeled balanced cross sections in far western Nepal.

Scattered light and accuracy of the cross-section measurements of weak absorptions: Gas and liquid phase UV absorption cross sections of CH3CFCl2

NASA Technical Reports Server (NTRS)

Fahr, A.; Braun, W.; Kurylo, M. J.

1993-01-01

Ultraviolet absorption cross sections of CH3CFCl2(HCFC-141b) were determined in the gas phase (190-260 nm) and liquid phase (230-260 mm) at 298 K. The liquid phase absorption cross sections were then converted into accurate gas phase values using a previously described procedure. It has been demonstrated that scattered light from the shorter-wavelength region (as little as several parts per thousand) can seriously compromise the absorption cross-section measurement, particularly at longer wavelengths where cross sections are low, and can be a source of discrepancies in the cross sections of weakly absorbing halocarbons reported in the literature. A modeling procedure was developed to assess the effect of scattered light on the measured absorption cross section in our experiments, thereby permitting appropriate corrections to be made on the experimental values. Modeled and experimental results were found to be in good agreement. Experimental results from this study were compared with other available determinations and provide accurate input for calculating the atmospheric lifetime of HCFC-141b.

Low-energy proton induced M X-ray production cross sections for 70Yb, 81Tl and 82Pb

NASA Astrophysics Data System (ADS)

Shehla; Mandal, A.; Kumar, Ajay; Roy Chowdhury, M.; Puri, Sanjiv; Tribedi, L. C.

2018-07-01

The cross sections for production of Mk (k = Mξ, Mαβ, Mγ, Mm1) X-rays of 70Yb, 81Tl and 82Pb induced by 50-250 keV protons have been measured in the present work. The experimental cross sections have been compared with the earlier reported values and those calculated using the ionization cross sections based on the ECPSSR (Perturbed (P) stationary(S) state(S), incident ion energy (E) loss, Coulomb (C) deflection and relativistic (R) correction) model, the X-ray emission rates based on the Dirac-Fock model, the fluorescence and Coster-Kronig yields based on the Dirac-Hartree-Slater (DHS) model. In addition, the present measured proton induced X-ray production cross sections have also been compared with those calculated using the Dirac-Hartree-Slater (DHS) model based ionization cross sections and those based on the Plane wave Born Approximation (PWBA). The measured M X-ray production cross sections are, in general, found to be higher than the ECPSSR and DHS model based values and lower than the PWBA model based cross sections.

Positron induced scattering cross sections for hydrocarbons relevant to plasma

NASA Astrophysics Data System (ADS)

Singh, Suvam; Antony, Bobby

2018-05-01

This article explores positron scattering cross sections by simple hydrocarbons such as ethane, ethene, ethyne, propane, and propyne. Chemical erosion processes occurring on the surface due to plasma-wall interactions are an abundant source of hydrocarbon molecules which contaminate the hydrogenic plasma. These hydrocarbons play an important role in the edge plasma region of Tokamak and ITER. In addition to this, they are also one of the major components in the planetary atmospheres and astrophysical mediums. The present work focuses on calculation of different positron impact interactions with simple hydrocarbons in terms of the total cross section (Qtot), elastic cross section (Qel), direct ionization cross section (Qion), positronium formation cross section (Qps), and total ionization cross section (Qtion). Knowing that the positron-plasma study is one of the trending fields, the calculated data have diverse plasma and astrophysical modeling applications. A comprehensive study of Qtot has been provided where the inelastic cross sections have been reported for the first time. Comparisons are made with those available from the literature, and a good agreement is obtained with the measurements.

Electron induced inelastic and ionization cross section for plasma modeling

NASA Astrophysics Data System (ADS)

Verma, Pankaj; Mahato, Dibyendu; Kaur, Jaspreet; Antony, Bobby

2016-09-01

The present paper reports electron impact total inelastic and ionization cross section for silicon, germanium, and tin tetrahalides at energies varying from ionization threshold of the target to 5000 eV. These cross section data over a wide energy domain are very essential to understand the physico-chemical processes involved in various environments such as plasma modeling, semiconductor etching, atmospheric sciences, biological sciences, and radiation physics. However, the cross section data on the above mentioned molecules are scarce. In the present article, we report the computation of total inelastic cross section using spherical complex optical potential formalism and the estimation of ionization cross section through a semi-empirical method. The present ionization cross section result obtained for SiCl4 shows excellent agreement with previous measurements, while other molecules have not yet been investigated experimentally. Present results show more consistent behaviour than previous theoretical estimates. Besides cross sections, we have also studied the correlation of maximum ionization cross section with the square root of the ratio of polarizability to ionization potential for the molecules with known polarizabilities. A linear relation is observed between these quantities. This correlation is used to obtain approximate polarizability volumes for SiBr4, SiI4, GeCl4, GeBr4, and GeI4 molecules.

Breakup and fusion cross sections of the 6Li nucleus with targets of mass A = 58, 144 and 208

NASA Astrophysics Data System (ADS)

Mukeru, B.; Rampho, G. J.; Lekala, M. L.

2018-04-01

We use the continuum discretized coupled channels method to investigate the effects of continuum-continuum coupling on the breakup and fusion cross sections of the weakly bound 6Li nucleus with the 58Ni, 144Sm and 208Pb nuclear targets. The cross sections were analyzed at incident energies E cm below, close to and above the Coulomb barrier V B. We found that for the medium and heavy targets, the breakup cross sections are enhanced at energies below the Coulomb barrier (E cm/V B ≤ 0.8) owing to these couplings. For the lighter target, relatively small enhancement of the breakup cross sections appear at energies well below the barrier (E cm/V B ≤ 0.6). At energies E cm/V B > 0.8 for medium and heavy targets, and E cm/V B > 0.6 for the light target, the continuum-continuum couplings substantially suppress the breakup cross sections. On the other hand, the fusion cross sections are enhanced at energies E cm/V B < 1.4, E cm/V B < 1.2 and E cm/V B < 0.8 for the light, medium and heavy target, respectively. The enhancement decreases as the target mass increases. Above the indicated respective energies, these couplings suppress the fusion cross sections. We also compared the breakup and fusion cross sections, and found that below the barrier, the breakup cross sections are more dominant regardless of whether continuum-continuum couplings are included.

Simple, empirical approach to predict neutron capture cross sections from nuclear masses

NASA Astrophysics Data System (ADS)

Couture, A.; Casten, R. F.; Cakirli, R. B.

2017-12-01

Background: Neutron capture cross sections are essential to understanding the astrophysical s and r processes, the modeling of nuclear reactor design and performance, and for a wide variety of nuclear forensics applications. Often, cross sections are needed for nuclei where experimental measurements are difficult. Enormous effort, over many decades, has gone into attempting to develop sophisticated statistical reaction models to predict these cross sections. Such work has met with some success but is often unable to reproduce measured cross sections to better than 40 % , and has limited predictive power, with predictions from different models rapidly differing by an order of magnitude a few nucleons from the last measurement. Purpose: To develop a new approach to predicting neutron capture cross sections over broad ranges of nuclei that accounts for their values where known and which has reliable predictive power with small uncertainties for many nuclei where they are unknown. Methods: Experimental neutron capture cross sections were compared to empirical mass observables in regions of similar structure. Results: We present an extremely simple method, based solely on empirical mass observables, that correlates neutron capture cross sections in the critical energy range from a few keV to a couple hundred keV. We show that regional cross sections are compactly correlated in medium and heavy mass nuclei with the two-neutron separation energy. These correlations are easily amenable to predict unknown cross sections, often converting the usual extrapolations to more reliable interpolations. It almost always reproduces existing data to within 25 % and estimated uncertainties are below about 40 % up to 10 nucleons beyond known data. Conclusions: Neutron capture cross sections display a surprisingly strong connection to the two-neutron separation energy, a nuclear structure property. The simple, empirical correlations uncovered provide model-independent predictions of neutron capture cross sections, extending far from stability, including for nuclei of the highest sensitivity to r -process nucleosynthesis.

Kinematic Modeling of Central Nepal: Thermochronometer Cooling Ages as a Constraint for Balanced Cross Sections

NASA Astrophysics Data System (ADS)

Olree, E.; Robinson, D. M.; McQuarrie, N.; Ghoshal, S.; Olsen, J.

2016-12-01

Using balanced cross sections, one can visualize a valid and admissible interpretation of the surface and subsurface data. Khanal (2014) and Cross (2014) produced two valid and admissible cross sections along the Marsyandi River in central Nepal. However, thermochronologic data adds another dimension that must be adhered to when producing valid and admissible balanced cross sections. Since the previous cross sections were produced, additional zircon-helium (ZHe) cooling ages along the Marsyandi River show ages of 1 Ma near the Main Central thrust in the hinterland to 4 Ma near the Main Boundary thrust closer to the foreland. This distribution of cooling ages requires recent uplift in the hinterland, which is not present in the cross sections. Although a restored version of the Khanal (2014) cross section is sequentially deformed using 2D Move, the kinematic sequence implied in the cross section is inconsistent with the ZHe age distribution. The hinterland dipping duplex proposed by Khanal would require cooling ages that are oldest near the Main Central thrust and young southwards toward the active ramp located 80 km north of the Main Frontal thrust. Instead, the 4 Ma age near the Main Boundary thrust and the increasingly younger ages to the north could be produced by either a foreland-dipping Lesser Himalayan duplex, which would keep active uplift in the north, or by translation of the hinterland dipping duplex southward over the ramp, moving the active thrust ramp northward. To address this problem, a new balanced cross section was produced using both new mapping through the region and the ZHe age distribution as additional constraints. The section was then restored and sequentially deformed in 2D Move. This study illustrates that multiple cross sections can be viable and admissible; however, they can still be incorrect. Thermochronology places additional constraints on the permissible geometries, and thus increases our ability to predict subsurface geometries. The next step of this project is to link the uplift and erosion implied by the kinematic sequence of the new cross section to the measured cooling history by importing the cross section kinematics into advection diffusion modeling software that predicts cooling ages.

Integration of the Two-Dimensional Power Spectral Density into Specifications for the X-ray Domain -- Problems and Opportunities

DOE Office of Scientific and Technical Information (OSTI.GOV)

McKinney, Wayne R.; Howells, M. R.; Yashchuk, V. V.

2008-09-30

An implementation of the two-dimensional statistical scattering theory of Church and Takacs for the prediction of scattering from x-ray mirrors is presented with a graphical user interface. The process of this development has clarified several problems which are of significant interest to the synchrotron community. These problems have been addressed to some extent, for example, for large astronomical telescopes, and at the National Ignition Facility for normal incidence optics, but not in the synchrotron community for grazing incidence optics. Since it is based on the Power Spectral Density (PSD) to provide a description of the deviations from ideal shape ofmore » the surface, accurate prediction of the scattering requires an accurate estimation of the PSD. Specifically, the spatial frequency range of measurement must be the correct one for the geometry of use of the optic--including grazing incidence and coherence effects, and the modifications to the PSD of the Optical Transfer Functions (OTF) of the measuring instruments must be removed. A solution for removal of OTF effects has been presented previously, the Binary Pseudo-Random Grating. Typically, the frequency range of a single instrument does not cover the range of interest, requiring the stitching together of PSD estimations. This combination generates its own set of difficulties in two dimensions. Fitting smooth functions to two dimensional PSDs, particularly in the case of spatial non-isotropy of the surface, which is often the case for optics in synchrotron beam lines, can be difficult. The convenient, and physically accurate fractal for one dimension does not readily transfer to two dimensions. Finally, a completely statistical description of scattering must be integrated with a deterministic low spatial frequency component in order to completely model the intensity near the image. An outline for approaching these problems, and our proposed experimental program is given.« less

Electrochemical Water Oxidation and Stereoselective Oxygen Atom Transfer Mediated by a Copper Complex.

PubMed

Kafentzi, Maria-Chrysanthi; Papadakis, Raffaello; Gennarini, Federica; Kochem, Amélie; Iranzo, Olga; Le Mest, Yves; Le Poul, Nicolas; Tron, Thierry; Faure, Bruno; Simaan, A Jalila; Réglier, Marius

2018-04-06

Water oxidation by copper-based complexes to form dioxygen has attracted attention in recent years, with the aim of developing efficient and cheap catalysts for chemical energy storage. In addition, high-valent metal-oxo species produced by the oxidation of metal complexes in the presence of water can be used to achieve substrate oxygenation with the use of H 2 O as an oxygen source. To date, this strategy has not been reported for copper complexes. Herein, a copper(II) complex, [(RPY2)Cu(OTf) 2 ] (RPY2=N-substituted bis[2-pyridyl(ethylamine)] ligands; R=indane; OTf=triflate), is used. This complex, which contains an oxidizable substrate moiety (indane), is used as a tool to monitor an intramolecular oxygen atom transfer reaction. Electrochemical properties were investigated and, upon electrolysis at 1.30 V versus a normal hydrogen electrode (NHE), both dioxygen production and oxygenation of the indane moiety were observed. The ligand was oxidized in a highly diastereoselective manner, which indicated that the observed reactivity was mediated by metal-centered reactive species. The pH dependence of the reactivity was monitored and correlated with speciation deduced from different techniques, ranging from potentiometric titrations to spectroscopic studies and DFT calculations. Water oxidation for dioxygen production occurs at neutral pH and is probably mediated by the oxidation of a mononuclear copper(II) precursor. It is achieved with a rather low overpotential (280 mV at pH 7), although with limited efficiency. On the other hand, oxygenation is maximum at pH 8-8.5 and is probably mediated by the electrochemical oxidation of an antiferromagnetically coupled dinuclear bis(μ-hydroxo) copper(II) precursor. This constitutes the first example of copper-centered oxidative water activation for a selective oxygenation reaction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Controlling Infrastructure Costs: Right-Sizing the Mission Control Facility

NASA Technical Reports Server (NTRS)

Martin, Keith; Sen-Roy, Michael; Heiman, Jennifer

2009-01-01

Johnson Space Center's Mission Control Center is a space vehicle, space program agnostic facility. The current operational design is essentially identical to the original facility architecture that was developed and deployed in the mid-90's. In an effort to streamline the support costs of the mission critical facility, the Mission Operations Division (MOD) of Johnson Space Center (JSC) has sponsored an exploratory project to evaluate and inject current state-of-the-practice Information Technology (IT) tools, processes and technology into legacy operations. The general push in the IT industry has been trending towards a data-centric computer infrastructure for the past several years. Organizations facing challenges with facility operations costs are turning to creative solutions combining hardware consolidation, virtualization and remote access to meet and exceed performance, security, and availability requirements. The Operations Technology Facility (OTF) organization at the Johnson Space Center has been chartered to build and evaluate a parallel Mission Control infrastructure, replacing the existing, thick-client distributed computing model and network architecture with a data center model utilizing virtualization to provide the MCC Infrastructure as a Service. The OTF will design a replacement architecture for the Mission Control Facility, leveraging hardware consolidation through the use of blade servers, increasing utilization rates for compute platforms through virtualization while expanding connectivity options through the deployment of secure remote access. The architecture demonstrates the maturity of the technologies generally available in industry today and the ability to successfully abstract the tightly coupled relationship between thick-client software and legacy hardware into a hardware agnostic "Infrastructure as a Service" capability that can scale to meet future requirements of new space programs and spacecraft. This paper discusses the benefits and difficulties that a migration to cloud-based computing philosophies has uncovered when compared to the legacy Mission Control Center architecture. The team consists of system and software engineers with extensive experience with the MCC infrastructure and software currently used to support the International Space Station (ISS) and Space Shuttle program (SSP).

Effect of the inoculation site of bovine purified protein derivative (PPD) on the skin fold thickness increase in cattle from officially tuberculosis free and tuberculosis-infected herds.

PubMed

Casal, Carmen; Alvarez, Julio; Bezos, Javier; Quick, Harrison; Díez-Guerrier, Alberto; Romero, Beatriz; Saez, Jose L; Liandris, Emmanouil; Navarro, Alejandro; Perez, Andrés; Domínguez, Lucas; de Juan, Lucía

2015-09-01

The official technique for diagnosis of bovine tuberculosis (bTB) worldwide is the tuberculin skin test, based on the evaluation of the skin thickness increase after the intradermal inoculation of a purified protein derivative (PPD) in cattle. A number of studies performed on experimentally infected or sensitized cattle have suggested that the relative sensitivity of the cervical test (performed in the neck) may vary depending on the exact location in which the PPD is injected. However, quantitative evidence on the variation of the test accuracy associated to changes in the site of inoculation in naturally infected animals (the population in which performance of the test is most critical for disease eradication) is lacking. Here, the probability of obtaining a positive reaction (>2 or 4 millimeters and/or presence of local clinical signs) after multiple inoculations of bovine PPD in different cervical and scapular locations was assessed in animals from five bTB-infected herds (818 cattle receiving eight inoculations) using a hierarchical Bayesian logistic regression model and adjusting for the potential effect of age and sex. The effect of the inoculation site was also assessed qualitatively in animals from four officially tuberculosis free (OTF) herds (two inoculations in 210 animals and eight inoculations in 38 cattle). Although no differences in the qualitative outcome of the test were observed in cattle from OTF herds, a statistically important association between the test outcome and the inoculation site in animals from infected herds was observed, with higher probabilities of positive results when the test was performed in the neck anterior area. Our results suggest that test sensitivity may be maximized by considering the area of the neck in which the test is applied, although lack of effect of the inoculation site in the specificity of the test should be confirmed in a larger sample. Copyright © 2015 Elsevier B.V. All rights reserved.

Autocatalytic formation of an iron(IV)-oxo complex via scandium ion-promoted radical chain autoxidation of an iron(II) complex with dioxygen and tetraphenylborate.

PubMed

Nishida, Yusuke; Lee, Yong-Min; Nam, Wonwoo; Fukuzumi, Shunichi

2014-06-04

A non-heme iron(IV)-oxo complex, [(TMC)Fe(IV)(O)](2+) (TMC = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane), was formed by oxidation of an iron(II) complex ([(TMC)Fe(II)](2+)) with dioxygen (O2) and tetraphenylborate (BPh4(-)) in the presence of scandium triflate (Sc(OTf)3) in acetonitrile at 298 K via autocatalytic radical chain reactions rather than by a direct O2 activation pathway. The autocatalytic radical chain reaction is initiated by scandium ion-promoted electron transfer from BPh4(-) to [(TMC)Fe(IV)(O)](2+) to produce phenyl radical (Ph(•)). The chain propagation step is composed of the addition of O2 to Ph(•) and the reduction of the resulting phenylperoxyl radical (PhOO(•)) by scandium ion-promoted electron transfer from BPh4(-) to PhOO(•) to produce phenyl hydroperoxide (PhOOH), accompanied by regeneration of phenyl radical. PhOOH reacts with [(TMC)Fe(II)](2+) to yield phenol (PhOH) and [(TMC)Fe(IV)(O)](2+). Biphenyl (Ph-Ph) was formed via the radical chain autoxidation of BPh3 by O2. The induction period of the autocatalytic radical chain reactions was shortened by addition of a catalytic amount of [(TMC)Fe(IV)(O)](2+), whereas addition of a catalytic amount of ferrocene that can reduce [(TMC)Fe(IV)(O)](2+) resulted in elongation of the induction period. Radical chain autoxidation of BPh4(-) by O2 also occurred in the presence of Sc(OTf)3 without [(TMC)Fe(IV)(O)](2+), initiating the autocatalytic oxidation of [(TMC)Fe(II)](2+) with O2 and BPh4(-) to yield [(TMC)Fe(IV)(O)](2+). Thus, the general view for formation of non-heme iron(IV)-oxo complexes via O2-binding iron species (e.g., Fe(III)(O2(•-))) without contribution of autocatalytic radical chain reactions should be viewed with caution.

Alcohol based-deep eutectic solvent (DES) as an alternative green additive to increase rotenone yield

DOE Office of Scientific and Technical Information (OSTI.GOV)

Othman, Zetty Shafiqa; Hassan, Nur Hasyareeda; Zubairi, Saiful Irwan

Deep eutectic solvents (DESs) are basically molten salts that interact by forming hydrogen bonds between two added components at a ratio where eutectic point reaches a melting point lower than that of each individual component. Their remarkable physicochemical properties (similar to ionic liquids) with remarkable green properties, low cost and easy handling make them a growing interest in many fields of research. Therefore, the objective of pursuing this study is to analyze the potential of alcohol-based DES as an extraction medium for rotenone extraction from Derris elliptica roots. DES was prepared by a combination of choline chloride, ChCl and 1,more » 4-butanediol at a ratio of 1/5. The structure of elucidation of DES was analyzed using FTIR, {sup 1}H-NMR and {sup 13}C-NMR. Normal soaking extraction (NSE) method was carried out for 14 hours using seven different types of solvent systems of (1) acetone; (2) methanol; (3) acetonitrile; (4) DES; (5) DES + methanol; (6) DES + acetonitrile; and (7) [BMIM] OTf + acetone. Next, the yield of rotenone, % (w/w), and its concentration (mg/ml) in dried roots were quantitatively determined by means of RP-HPLC. The results showed that a binary solvent system of [BMIM] OTf + acetone and DES + acetonitrile was the best solvent system combination as compared to other solvent systems. It contributed to the highest rotenone content of 0.84 ± 0.05% (w/w) (1.09 ± 0.06 mg/ml) and 0.84 ± 0.02% (w/w) (1.03 ± 0.01 mg/ml) after 14 hours of exhaustive extraction time. In conclusion, a combination of the DES with a selective organic solvent has been proven to have a similar potential and efficiency as of ILs in extracting bioactive constituents in the phytochemical extraction process.« less

Fragmentation of Ar-40 at 100 GeV/c

NASA Technical Reports Server (NTRS)

Lindstrom, P. J.; Greiner, D. E.; Heckman, H. H.; Cork, B.; Bieser, F. S.

1975-01-01

The delta Z is greater than or equal to 1 reaction cross section for 1.8 GeV/n Ar-40 have been measured on targets ranging from H to Pb. Comparing these cross sections with H-1, C-12, and O-16 reaction cross sections at relativistic energies yields a formula for nucleus-nucleus reaction cross sections.

Temperature-dependent absorption cross sections for hydrogen peroxide vapor

NASA Technical Reports Server (NTRS)

Nicovich, J. M.; Wine, P. H.

1988-01-01

Relative absorption cross sections for hydrogen peroxide vapor were measured over the temperature ranges 285-381 K for lambda = 230 nm-295 nm and 300-381 K for lambda = 193 nm-350 nm. The well established 298 K cross sections at 202.6 and 228.8 nm were used as an absolute calibration. A significant temperature dependence was observed at the important tropospheric photolysis wavelengths lambda over 300 nm. Measured cross sections were extrapolated to lower temperatures, using a simple model which attributes the observed temperature dependence to enhanced absorption by molecules possessing one quantum of O-O stretch vibrational excitation. Upper tropospheric photodissociation rates calculated using the extrapolated cross sections are about 25 percent lower than those calculated using currently recommended 298 K cross sections.

Measurements of absolute absorption cross sections of ozone in the 185- to 254-nm wavelength region and the temperature dependence

NASA Technical Reports Server (NTRS)

Yoshino, K.; Esmond, J. R.; Freeman, D. E.; Parkinson, W. H.

1993-01-01

Laboratory measurements of the relative absorption cross sections of ozone at temperatures 195, 228, and 295 K have been made throughout the 185 to 254 nm wavelength region. The absolute absorption cross sections at the same temperatures have been measured at several discrete wavelengths in the 185 to 250 nm region. The absolute cross sections of ozone have been used to put the relative cross sections on a firm absolute basis throughout the 185 to 255 nm region. These recalibrated cross sections are slightly lower than those of Molina and Molina (1986), but the differences are within a few percent and would not be significant in atmospheric applications.

Fragmentation cross sections of O-16 between 0.9 and 200 GeV/nucleon

NASA Technical Reports Server (NTRS)

Hirzebruch, S. E.; Heinrich, W.; Tolstov, K. D.; Kovalenko, A. D.; Benton, E. V.

1995-01-01

Inclusive cross sections for high energy interactions at 0.9, 2.3, 3.6, and 13.5 GeV/nucleon of O-16 with C, CR-39 (C12H18O7), CH2, Al, Cu, Ag, and Pb targets were measured. The total charge-changing cross sections and partial charge-changing cross sections for the production of fragments with charge Z = 6 and Z = 7 are compared to previous experiments at 60 and 200 GeV/nucleon. The contributions of Coulomb dissociation to the total cross sections are calculated. Using factorization rules the partial electromagnetic cross sections are separated from the nuclear components. Energy dependence of both components are investigated and discussed.

Nuclear annihilation by antinucleons

DOE PAGES

Lee, Teck-Ghee; Wong, Cheuk-Yin

2016-01-25

We examine the momentum dependence ofmore » $$\\bar{p}$$p and $$\\bar{n}$$p annihilation cross sections by considering the transmission through a nuclear potential and the $$\\bar {p}$$p Coulomb interaction. Compared to the $$\\bar{n}$$p annihilation cross section, the $$\\bar{p}$$p annihilation cross section is significantly enhanced by the Coulomb interaction for projectile momenta below p lab < 500 MeV/c, and the two annihilation cross sections approach the Pomeranchuk's equality limit [JETP 30, 423 (1956)] at p lab ~500 MeV/c. Using these elementary cross sections as the basic input data, the extended Glauber model is employed to evaluate the annihilation cross sections for $$\\bar{n}$$ and $$\\bar{p}$$ interaction with nuclei and the results compare well with experimental data.« less

Using 171,173Yb(d,p) to benchmark a surrogate reaction for neutron capture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hatarik, R; Bersntein, L; Burke, J

2008-08-08

Neutron capture cross sections on unstable nuclei are important for many applications in nuclear structure and astrophysics. Measuring these cross sections directly is a major challenge and often impossible. An indirect approach for measuring these cross sections is the surrogate reaction method, which makes it possible to relate the desired cross section to a cross section of an alternate reaction that proceeds through the same compound nucleus. To benchmark the validity of using the (d,p{gamma}) reaction as a surrogate for (n,{gamma}), the {sup 171,173}Yb(d,p{gamma}) reactions were measured with the goal to reproduce the known [1] neutron capture cross section ratiosmore » of these nuclei.« less

Photoeffect cross sections of several rare-earth elements for 323-keV photons

NASA Astrophysics Data System (ADS)

Umesh, T. K.; Anasuya, S. J.; Shylaja Kumari, J.; Gowda, Channe; Gopinathan Nair, K. P.; Gowda, Ramakrishna

1992-02-01

Total-attenuation cross sections of the oxides of rare-earth elements such as La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, and Er, and also NaNO3 and NaNO2 have been measured in a narrow-beam geometry setup at 323 keV. The total-attenuation cross section for oxygen was obtained as the difference in NaNO3 and NaNO2 cross sections. Using this, the total-attenuation cross sections of the individual lanthanides have been obtained with the aid of the mixture rule. From these, the photoeffect cross sections were derived by subtracting the scattering contribution. These values are found to agree well with Scofield's theoretical data [University of California Report No. UCRL 51326, 1973 (unpublished)].

One-jet inclusive cross section at order a(s)-cubed - Gluons only

NASA Technical Reports Server (NTRS)

Ellis, Stephen D.; Kunszt, Zoltan; Soper, Davison E.

1989-01-01

A complete calculation of the hadron jet cross-section at one order beyond the Born approximation is performed for the simplified case in which there are only gluons. The general structure of the differences from the lowest-order cross-section are described. This step allows two important improvements in the understanding of the theoretical hadron jet cross-section: first, the cross section at this order displays explicit dependence on the jet cone size, so that explicit account can be taken of the differences in jet definitions employed by different experiments; second, the magnitude of the uncertainty of the theoretical cross-section due to the arbitrary choice of the factorization scale has been reduced by a factor of two to three.

Solid oxide fuel cell with transitioned cross-section for improved anode gas management at the open end

DOEpatents

Zafred, Paolo R [Murrysville, PA; Draper, Robert [Pittsburgh, PA

2012-01-17

A solid oxide fuel cell (400) is made having a tubular, elongated, hollow, active section (445) which has a cross-section containing an air electrode (452) a fuel electrode (454) and solid oxide electrolyte (456) between them, where the fuel cell transitions into at least one inactive section (460) with a flattened parallel sided cross-section (462, 468) each cross-section having channels (472, 474, 476) in them which smoothly communicate with each other at an interface section (458).

Nuclear reactor control column

DOEpatents

Bachovchin, Dennis M.

1982-01-01

The nuclear reactor control column comprises a column disposed within the nuclear reactor core having a variable cross-section hollow channel and containing balls whose vertical location is determined by the flow of the reactor coolant through the column. The control column is divided into three basic sections wherein each of the sections has a different cross-sectional area. The uppermost section of the control column has the greatest cross-sectional area, the intermediate section of the control column has the smallest cross-sectional area, and the lowermost section of the control column has the intermediate cross-sectional area. In this manner, the area of the uppermost section can be established such that when the reactor coolant is flowing under normal conditions therethrough, the absorber balls will be lifted and suspended in a fluidized bed manner in the upper section. However, when the reactor coolant flow falls below a predetermined value, the absorber balls will fall through the intermediate section and into the lowermost section, thereby reducing the reactivity of the reactor core and shutting down the reactor.

Fragmentation cross sections of medium-energy {sup 35}Cl, {sup 40}Ar, and {sup 48}Ti beams on elemental targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeitlin, C.; Guetersloh, S.; Heilbronn, L.

Charge-changing and fragment production cross sections at 0 deg. have been obtained for interactions of 290, 400, and 650 MeV/nucleon {sup 40}Ar beams, 650 and 1000 MeV/nucleon {sup 35}Cl beams, and a 1000 MeV/nucleon {sup 48}Ti beam. Targets of C, CH{sub 2}, Al, Cu, Sn, and Pb were used. Using standard analysis methods, we obtained fragment cross sections for charges as low as 8 for Cl and Ar beams and as low as 10 for the Ti beam. Using data obtained with small-acceptance detectors, we report fragment production cross sections for charges as low as 5, corrected for acceptance usingmore » a simple model of fragment angular distributions. With the lower-charged fragment cross sections, we can compare the data to predictions from several models (including NUCFRG2, EPAX2, and PHITS) in a region largely unexplored in earlier work. As found in earlier work with other beams, NUCFRG2 and PHITS predictions agree reasonably well with the data for charge-changing cross sections, but these models do not accurately predict the fragment production cross sections. The cross sections for the lightest fragments demonstrate the inadequacy of several models in which the cross sections fall monotonically with the charge of the fragment. PHITS, despite its not agreeing particularly well with the fragment production cross sections on average, nonetheless qualitatively reproduces some significant features of the data that are missing from the other models.« less

Influence of strut cross-section of stents on local hemodynamics in stented arteries

NASA Astrophysics Data System (ADS)

Jiang, Yongfei; Zhang, Jun; Zhao, Wanhua

2016-05-01

Stenting is a very effective treatment for stenotic vascular diseases, but vascular geometries altered by stent implantation may lead to flow disturbances which play an important role in the initiation and progression of restenosis, especially in the near wall in stented arterial regions. So stent designs have become one of the indispensable factors needed to be considered for reducing the flow disturbances. In this paper, the structural designs of strut cross-section are considered as an aspect of stent designs to be studied in details. Six virtual stents with different strut cross-section are designed for deployments in the same ideal arterial model. Computational fluid dynamics (CFD) methods are performed to study how the shape and the aspect ratio (AR) of strut cross-section modified the local hemodynamics in the stented segments. The results indicate that stents with different strut cross-sections have different influence on the hemodynamics. Stents with streamlined cross-sectional struts for circular arc or elliptical arc can significantly enhance wall shear stress (WSS) in the stented segments, and reduce the flow disturbances around stent struts. The performances of stents with streamlined cross-sectional struts are better than that of stents with non-streamlined cross-sectional struts for rectangle. The results also show that stents with a larger AR cross-section are more conductive to improve the blood flow. The present study provides an understanding of the flow physics in the vicinity of stent struts and indicates that the shape and AR of strut cross-section ought to be considered as important factors to minimize flow disturbance in stent designs.

The Production of FRW Universe and Decay to Particles in Multiverse

NASA Astrophysics Data System (ADS)

Ghaffary, Tooraj

2017-09-01

In this study, first, it will be shown that as the Hubble parameter, " H", increases the production cross section for closed and flat Universes increases rapidly at smaller values of " H" and becomes constant for higher values of " H". However in the case of open Universe, the production cross section has been encountered a singularity. Before this singularity, as the H parameter increases, the cross section increases, for smaller H, ( H < 2.5), exhibits a turn-over at moderate values of H, (2.5 < H < 3.5), decreases for larger amount of H After that and for a special value of H, the cross section has been encountered with a singularity. Although the cross section cannot be defined at this singularity but before and after this point, it is certainly equal to zero. After this singularity, the cross section increases rapidly, when H increases. It is shown that if the production cross section of Universe happens before this singularity, it can't achieve to higher values of Hubble parameter after singularity. More over if the production cross section of Universe situates after the singularity, it won't get access to values of Hubble parameter less than the singularity. After that the thermal distribution for particles inside the FRW Universes are obtained. It is found that a large amount of particles are produced near apparent horizon due to their variety in their energy and their probabilities. Finally, comparing the particle production cross sections for flat, closed and open Universes, it is concluded that as the value of k increases, the cross section decreases.

Poster - 18: New features in EGSnrc for photon cross sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali, Elsayed; Mainegra-Hing, Ernesto; Rogers, Davi

2016-08-15

Purpose: To implement two new features in the EGSnrc Monte Carlo system. The first is an option to account for photonuclear attenuation, which can contribute a few percent to the total cross section at the higher end of the energy range of interest to medical physics. The second is an option to use exact NIST XCOM photon cross sections. Methods: For the first feature, the photonuclear total cross sections are generated from the IAEA evaluated data. In the current, first-order implementation, after a photonuclear event, there is no energy deposition or secondary particle generation. The implementation is validated against deterministicmore » calculations and experimental measurements of transmission signals. For the second feature, before this work, if the user explicitly requested XCOM photon cross sections, EGSnrc still used its own internal incoherent scattering cross sections. These differ by up to 2% from XCOM data between 30 keV and 40 MeV. After this work, exact XCOM incoherent scattering cross sections are an available option. Minor interpolation artifacts in pair and triplet XCOM cross sections are also addressed. The default for photon cross section in EGSnrc is XCOM except for the new incoherent scattering cross sections, which have to be explicitly requested. The photonuclear, incoherent, pair and triplet data from this work are available for elements and compounds for photon energies from 1 keV to 100 GeV. Results: Both features are implemented and validated in EGSnrc.Conclusions: The two features are part of the standard EGSnrc distribution as of version 4.2.3.2.« less

Cross sections for H(-) and Cl(-) production from HCl by dissociative electron attachment

NASA Technical Reports Server (NTRS)

Orient, O. J.; Srivastava, S. K.

1985-01-01

A crossed target beam-electron beam collision geometry and a quadrupole mass spectrometer have been used to conduct dissociative electron attachment cross section measurements for the case of H(-) and Cl(-) production from HCl. The relative flow technique is used to determine the absolute values of cross sections. A tabulation is given of the attachment energies corresponding to various cross section maxima. Error sources contributing to total errors are also estimated.

Measurements of neutron capture cross sections on 70Zn at 0.96 and 1.69 MeV

NASA Astrophysics Data System (ADS)

Punte, L. R. M.; Lalremruata, B.; Otuka, N.; Suryanarayana, S. V.; Iwamoto, Y.; Pachuau, Rebecca; Satheesh, B.; Thanga, H. H.; Danu, L. S.; Desai, V. V.; Hlondo, L. R.; Kailas, S.; Ganesan, S.; Nayak, B. K.; Saxena, A.

2017-02-01

The cross sections of the 70Zn(n ,γ )Zn71m (T1 /2=3.96 ±0.05 -h ) reaction have been measured relative to the 197Au(n ,γ )198Au cross sections at 0.96 and 1.69 MeV using a 7Li(p ,n )7Be neutron source and activation technique. The cross section of this reaction has been measured for the first time in the MeV region. The new experimental cross sections have been compared with the theoretical prediction by talys-1.6 with various level-density models and γ -ray strength functions as well as the tendl-2015 library. The talys-1.6 calculation with the generalized superfluid level-density model and Kopecky-Uhl generalized Lorentzian γ -ray strength function predicted the new experimental cross sections at both incident energies. The 70Zn(n ,γ ) g+m 71Zn total capture cross sections have also been derived by applying the evaluated isomeric ratios in the tendl-2015 library to the measured partial capture cross sections. The spectrum averaged total capture cross sections derived in the present paper agree well with the jendl-4.0 library at 0.96 MeV, whereas it lies between the tendl-2015 and the jendl-4.0 libraries at 1.69 MeV.

Semi-empirical scaling for ion-atom single charge exchange cross sections in the intermediate velocity regime

NASA Astrophysics Data System (ADS)

Friedman, B.; DuCharme, G.

2017-06-01

We present a semi-empirical scaling law for non-resonant ion-atom single charge exchange cross sections for collisions with velocities from {10}7 {{t}}{{o}} {10}9 {cm} {{{s}}}-1 and ions with positive charge q< 8. Non-resonant cross sections tend to have a velocity peak at collision velocities v≲ 1 {{a}}{{u}} with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, {{Δ }}E, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters {v}{{m}},{I}{{T}},{Z}{{T}},{and} {Z}{{P}}, where the {Z}{{T},{{P}}} are the target and projectile atomic numbers. For the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.

Sonographic evaluation of the greater occipital nerve in unilateral occipital neuralgia.

PubMed

Cho, John Chin-Suk; Haun, Daniel W; Kettner, Norman W

2012-01-01

Occipital neuralgia is a headache that may result from greater occipital nerve entrapment. Entrapped peripheral nerves typically have an increase in cross-sectional area. The purpose of this study was to measure the cross-sectional area and circumference of symptomatic and asymptomatic greater occipital nerves in patients with unilateral occipital neuralgia and to correlate the greater occipital nerve cross-sectional area with headache severity, sex, and body mass index. Both symptomatic and contralateral asymptomatic greater occipital nerve cross-sectional areas and circumferences were measured by a single examiner using sonography in 17 patients. The Wilcoxon signed rank test and Spearman rank order correlation coefficient were used to analyze the data. Significant differences between the cross-sectional areas and circumferences of the symptomatic and asymptomatic greater occipital nerves were noted (P < .001). No difference existed in cross-sectional area (P = .40) or circumference (P = .10) measurements of the nerves between male and female patients. A significant correlation existed between the body mass index and symptomatic (r = 0.424; P = .045) and asymptomatic (r = 0.443; P = .037) cross-sectional areas. There was no correlation shown between the cross-sectional area of the symptomatic nerve and the severity of Headache Impact Test 6 scores (r = -0.342; P = .179). We report sonographic evidence showing an increased cross-sectional area and circumference of the symptomatic greater occipital nerve in patients with unilateral occipital neuralgia.

Annular-Cross-Section CFE Chamber

NASA Technical Reports Server (NTRS)

Sharnez, Rizwan; Sammons, David W.

1994-01-01

Proposed continuous-flow-electrophoresis (CFE) chamber of annular cross section offers advantages over conventional CFE chamber, and wedge-cross-section chamber described in "Increasing Sensitivity in Continuous-Flow Electrophoresis" (MFS-26176). In comparison with wedge-shaped chamber, chamber of annular cross section virtually eliminates such wall effects as electro-osmosis and transverse gradients of velocity. Sensitivity enhanced by incorporating gradient maker and radial (collateral) flow.

Semi-empirical and empirical L X-ray production cross sections for elements with 50 ⩽ Z ⩽ 92 for protons of 0.5 3.0 MeV

NASA Astrophysics Data System (ADS)

Nekab, M.; Kahoul, A.

2006-04-01

We present in this contribution, semi-empirical production cross sections of the main X-ray lines Lα, Lβ and Lγ for elements from Sn to U and for protons with energies varying from 0.5 to 3.0 MeV. The theoretical X-ray production cross sections are firstly calculated from the theoretical ionization cross sections of the L i ( i = 1, 2, 3) subshell within the ECPSSR theory. The semi-empirical Lα, Lβ and Lγ cross sections are then deduced by fitting the available experimental data normalized to their corresponding theoretical values and give the better representation of the experimental data in some cases. On the other hand, the experimental data are directly fitted to deduce the empirical L X-ray production cross sections. A comparison is made between the semi-empirical cross sections, the empirical cross sections reported in this work and the empirical ones reported by Reis and Jesus [M.A. Reis, A.P. Jesus, Atom. Data Nucl. Data Tables 63 (1996) 1] and those of Strivay and Weber [Strivay, G. Weber, Nucl. Instr. and Meth. B 190 (2002) 112].

Measurement of electron impact collisional excitation cross sections of Ni to Ge-like gold

DOE PAGES

May, M. J.; Beiersdorfer, P.; Jordan, N.; ...

2017-03-01

We have measured the collisional excitation cross sections for the 3d→4f and 3d→5f excitations in Au ions near the Ni-like charge state by using beam plasmas created in the Livermore electron beam ion trap EBIT-I. The cross sections have been experimentally determined at approximately 1, 2 and 3 keV above the threshold energy, ET, for the 3d→4f excitations (ET ~2.5 keV) and at approximately 0.1, 1 and 2 keV above the threshold energy for the 3d→5f excitations (ET ~3.3 keV). The cross section measurements were made possible by using the GSFC x-ray microcalorimeter at the Livermore EBIT facility. The absolutemore » cross sections are determined from the ratio of the intensity of the collisionally excited bound-bound transitions to the intensity of the radiative recombination lines produced in EBIT-I plasmas. The effects of polarization and Auger decay channels are accounted for in the cross section determination. Measured cross sections are compared with those from HULLAC, DWS and FAC calculations. Finally, the measurements demonstrate that some errors exist in the calculated excitation cross sections.« less

Measurement of electron impact collisional excitation cross sections of Ni to Ge-like gold

NASA Astrophysics Data System (ADS)

May, M. J.; Beiersdorfer, P.; Jordan, N.; Scofield, J. H.; Reed, K. J.; Brown, G. V.; Hansen, S. B.; Porter, F. S.; Kelley, R.; Kilbourne, C. A.; Boyce, K. R.

2017-03-01

We have measured the collisional excitation cross sections for the 3d→4f and 3d→5f excitations in Au ions near the Ni-like charge state by using beam plasmas created in the Livermore electron beam ion trap EBIT-I. The cross sections have been experimentally determined at approximately 1, 2 and 3 keV above the threshold energy, ET, for the 3d→4f excitations (ET ˜ 2.5 keV) and at approximately 0.1, 1 and 2 keV above the threshold energy for the 3d→5f excitations (ET ˜ 3.3 keV). The cross section measurements were made possible by using the GSFC x-ray microcalorimeter at the Livermore EBIT facility. The absolute cross sections are determined from the ratio of the intensity of the collisionally excited bound-bound transitions to the intensity of the radiative recombination lines produced in EBIT-I plasmas. The effects of polarization and Auger decay channels are accounted for in the cross section determination. Measured cross sections are compared with those from HULLAC, DWS and FAC calculations. The measurements demonstrate that some errors exist in the calculated excitation cross sections.

Neutron Thermal Cross Sections, Westcott Factors, Resonance Integrals, Maxwellian Averaged Cross Sections and Astrophysical Reaction Rates Calculated from the ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0, ROSFOND-2010, CENDL-3.1 and EAF-2010 Evaluated Data Libraries

NASA Astrophysics Data System (ADS)

Pritychenko, B.; Mughabghab, S. F.

2012-12-01

We present calculations of neutron thermal cross sections, Westcott factors, resonance integrals, Maxwellian-averaged cross sections and astrophysical reaction rates for 843 ENDF materials using data from the major evaluated nuclear libraries and European activation file. Extensive analysis of newly-evaluated neutron reaction cross sections, neutron covariances, and improvements in data processing techniques motivated us to calculate nuclear industry and neutron physics quantities, produce s-process Maxwellian-averaged cross sections and astrophysical reaction rates, systematically calculate uncertainties, and provide additional insights on currently available neutron-induced reaction data. Nuclear reaction calculations are discussed and new results are presented. Due to space limitations, the present paper contains only calculated Maxwellian-averaged cross sections and their uncertainties. The complete data sets for all results are published in the Brookhaven National Laboratory report.

A method for calculating proton-nucleus elastic cross-sections

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, J. W.; Cucinotta, F. A.

2002-01-01

Recently [Nucl. Instr. and Meth. B 145 (1998) 277; Extraction of in-medium nucleon-nucleon amplitude from experiment, NASA-TP, 1998], we developed a method of extracting nucleon-nucleon (N-N) cross-sections in the medium directly from experiment. The in-medium N-N cross-sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the NASA Langley Research Center. We investigated [Proton-nucleus total cross-sections in coupled-channel approach, NASA/TP, 2000; Nucl. Instr. and Meth. B 173-174 (2001) 391] the ratio of real to imaginary part of the two body scattering amplitude in the medium. These ratios are used in combination with the in-medium N-N cross-sections to calculate proton-nucleus elastic cross-sections. The agreement is excellent with the available experimental data. These cross-sections are needed for the radiation risk assessment of space missions. c2002 Elsevier Science B.V. All rights reserved.

Single step sequential polydimethylsiloxane wet etching to fabricate a microfluidic channel with various cross-sectional geometries

NASA Astrophysics Data System (ADS)

Wang, C.-K.; Liao, W.-H.; Wu, H.-M.; Lo, Y.-H.; Lin, T.-R.; Tung, Y.-C.

2017-11-01

Polydimethylsiloxane (PDMS) has become a widely used material to construct microfluidic devices for various biomedical and chemical applications due to its desirable material properties and manufacturability. PDMS microfluidic devices are usually fabricated using soft lithography replica molding methods with master molds made of photolithogrpahy patterned photoresist layers on silicon wafers. The fabricated microfluidic channels often have rectangular cross-sectional geometries with single or multiple heights. In this paper, we develop a single step sequential PDMS wet etching process that can be used to fabricate microfluidic channels with various cross-sectional geometries from single-layer PDMS microfluidic channels. The cross-sections of the fabricated channel can be non-rectangular, and varied along the flow direction. Furthermore, the fabricated cross-sectional geometries can be numerically simulated beforehand. In the experiments, we fabricate microfluidic channels with various cross-sectional geometries using the developed technique. In addition, we fabricate a microfluidic mixer with alternative mirrored cross-sectional geometries along the flow direction to demonstrate the practical usage of the developed technique.

The formation of excited atoms during charge exchange between hydrogen ions and alkali atoms. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Nieman, R. A.

1971-01-01

The charge exchange cross sections for protons and various alkali atoms are calculated using the classical approximation of Gryzinski. It is assumed that the hydrogen atoms resulting from charge exchange exist in all possible excited states. Charge transfer collisions between protons and potassium as well as protons and sodium atoms are studied. The energy range investigated is between 4 and 30 keV. The theoretical calculations of the capture cross section and the cross section for the creation of metastable 2S hydrogen are compared to experimental values. Good quantitative agreement is found for the capture cross section but only qualitative agreement for the metastable cross section. Analysis of the Lyman alpha window in molecular oxygen suggests that measured values of the metastable cross section may be in error. Thick alkali target data are also presented. This allows the determination of the total electron loss cross section. Finally, some work was done with H2(+).

Angular distributions for H- formation in single collisions of H+ on Mg

NASA Astrophysics Data System (ADS)

Alvarez, I.; Cisneros, C.; Russek, A.

1982-07-01

Absolute differential cross sections have been measured for H- formation in single collisions of H+ on Mg in the energy range from 0.5 to 5.0 keV. Total cross sections, obtained by direct integration of these differential cross sections, are in good agreement with earlier total-cross-section measurements of Morgan and Eriksen in the energy range common to the two experiments and are in good agreement with the calculated total cross sections of Olson and Liu. The differential cross sections are strongly peaked in the forward direction. The functional form and scaling properties of this forward peak strongly indicate that it is a glory maximum, which occurs when the classical deflection function changes over from attractive to repulsive at some finite impact parameter. The differential cross sections from 1.0 to 5.0 keV show no other structure, but below 1.0 keV a τ-dependent structure is observed which becomes more pronounced as the collision energy decreases. 1982 The American Physical Society.

Neutron Fission of 235,237,239U and 241,243Pu: Cross Sections, Integral Cross Sections and Cross Sections on Excited States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Younes, W; Britt, H C

In a recent paper submitted to Phys. Rev. C they have presented estimates for (n,f) cross sections on a series of Thorium, Uranium and Plutonium isotopes over the range E{sub n} = 0.1-2.5 MeV. The (n,f) cross sections for many of these isotopes are difficult or impossible to measure in the laboratory. The cross sections were obtained from previous (t,pf) reaction data invoking a model which takes into account the differences between (t,pf) and (n,f) reaction processes, and which includes improved estimates for the neutron compound formation process. The purpose of this note is: (1) to compare the estimated crossmore » sections to current data files in both ENDF and ENDL databases; (2) to estimate ratios of cross sections relatively to {sup 235}U integrated over the ''tamped flattop'' critical assembly spectrum that was used in the earlier {sup 237}U report; and (3) to show the effect on the integral cross sections when the neutron capturing state is an excited rotational state or an isomer. The isomer and excited state results are shown for {sup 235}U and {sup 237}U.« less

Effect of reagent rotation on the integral cross-sections and isotopic branching of the reactions H - + HD and D - + HD

NASA Astrophysics Data System (ADS)

Zhang, Wei; Liu, Yufang; He, Xiaohu

2010-04-01

A quasi-classical trajectory (QCT) method has been used to calculate integral reaction cross-section for H - + HD and D - + HD. The influence of rotation of the reagent on the integral reaction cross-section and the product branching ratios of the title reactions are discussed. The results indicate that the reactive cross-section of H(D) - + HD → HH(D) + D - decreases with an increase of the j for E tran ⩽ 1.5 eV. The results also show that the reactive cross-section of D(H) - + HD → DD(H) + H - decreases with an increase of the j for E tran ⩽ 1.0 eV and that the integral cross-sections of title reactions are sensitive to the reagent rotation.

Evaluation of cross sections for neutron-induced reactions in sodium. [10/sup -5/ eV to 20 MeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larson, D.C.

1980-09-01

An evaluation of the neutron-induced cross sections of /sup 23/Na has been done for the energy range from 10/sup -5/ eV to 20 MeV. All significant cross sections are given, including differential cross sections for production of gamma rays. The recommended values are based on experimental data where available, and use results of a consistent model code analysis of available data to predict cross sections where there are no experimental data. This report describes the evaluation that was submitted to the Cross Section Evaluation Working Group (CSEWG) for consideration as a part of the Evaluated Nuclear Data File, Version V,more » and subsequently issued as MAT 1311. 126 references, 130 figures, 14 tables.« less

Three-dimensional object surface identification

NASA Astrophysics Data System (ADS)

Celenk, Mehmet

1995-03-01

This paper describes a computationally efficient matching method for inspecting 3D objects using their serial cross sections. Object regions of interest in cross-sectional binary images of successive slices are aligned with those of the models. Cross-sectional differences between the object and the models are measured in the direction of the gradient of the cross section boundary. This is repeated in all the cross-sectional images. The model with minimum average cross-sectional difference is selected as the best match to the given object (i.e., no defect). The method is tested using various computer generated surfaces and matching results are presented. It is also demonstrated using Symult S-2010 16-node system that the method is suitable for parallel implementation in massage passing processors with the maximum attainable speedup (close to 16 for S-2010).

Polynomial coefficients for calculating O2 Schumann-Runge cross sections at 0.5/cm resolution

NASA Technical Reports Server (NTRS)

Minschwaner, K.; Anderson, G. P.; Hall, L. A.; Yoshino, K.

1992-01-01

O2 cross sections from 49,000 to 57,000/cm have been fitted with temperature dependent polynomial expressions, providing an accurate and efficient means of determining Schumann-Runge band cross sections for temperatures between 130 and 500 K. The least squares fits were carried out on a 0.5/cm spectral grid, using cross sections obtained from a Schumann-Runge line-by-line model that incorporates the most recent spectroscopic data. The O2 cross sections do not include the underlying Herzberg continuum, but they do contain contributions from the temperature dependent Schumann-Runge continuum. The cross sections are suitable for use in UV transmission calculations at high spectral resolution. They should also prove useful for updating existing parameterizations of ultraviolet transmission and O2 photolysis.

An Equivalent cross-section Framework for improving computational efficiency in Distributed Hydrologic Modelling

NASA Astrophysics Data System (ADS)

Khan, Urooj; Tuteja, Narendra; Ajami, Hoori; Sharma, Ashish

2014-05-01

While the potential uses and benefits of distributed catchment simulation models is undeniable, their practical usage is often hindered by the computational resources they demand. To reduce the computational time/effort in distributed hydrological modelling, a new approach of modelling over an equivalent cross-section is investigated where topographical and physiographic properties of first-order sub-basins are aggregated to constitute modelling elements. To formulate an equivalent cross-section, a homogenization test is conducted to assess the loss in accuracy when averaging topographic and physiographic variables, i.e. length, slope, soil depth and soil type. The homogenization test indicates that the accuracy lost in weighting the soil type is greatest, therefore it needs to be weighted in a systematic manner to formulate equivalent cross-sections. If the soil type remains the same within the sub-basin, a single equivalent cross-section is formulated for the entire sub-basin. If the soil type follows a specific pattern, i.e. different soil types near the centre of the river, middle of hillslope and ridge line, three equivalent cross-sections (left bank, right bank and head water) are required. If the soil types are complex and do not follow any specific pattern, multiple equivalent cross-sections are required based on the number of soil types. The equivalent cross-sections are formulated for a series of first order sub-basins by implementing different weighting methods of topographic and physiographic variables of landforms within the entire or part of a hillslope. The formulated equivalent cross-sections are then simulated using a 2-dimensional, Richards' equation based distributed hydrological model. The simulated fluxes are multiplied by the weighted area of each equivalent cross-section to calculate the total fluxes from the sub-basins. The simulated fluxes include horizontal flow, transpiration, soil evaporation, deep drainage and soil moisture. To assess the accuracy of equivalent cross-section approach, the sub-basins are also divided into equally spaced multiple hillslope cross-sections. These cross-sections are simulated in a fully distributed settings using the 2-dimensional, Richards' equation based distributed hydrological model. The simulated fluxes are multiplied by the contributing area of each cross-section to get total fluxes from each sub-basin referred as reference fluxes. The equivalent cross-section approach is investigated for seven first order sub-basins of the McLaughlin catchment of the Snowy River, NSW, Australia, and evaluated in Wagga-Wagga experimental catchment. Our results show that the simulated fluxes using an equivalent cross-section approach are very close to the reference fluxes whereas computational time is reduced of the order of ~4 to ~22 times in comparison to the fully distributed settings. The transpiration and soil evaporation are the dominant fluxes and constitute ~85% of actual rainfall. Overall, the accuracy achieved in dominant fluxes is higher than the other fluxes. The simulated soil moistures from equivalent cross-section approach are compared with the in-situ soil moisture observations in the Wagga-Wagga experimental catchment in NSW, and results found to be consistent. Our results illustrate that the equivalent cross-section approach reduces the computational time significantly while maintaining the same order of accuracy in predicting the hydrological fluxes. As a result, this approach provides a great potential for implementation of distributed hydrological models at regional scales.

Assessment of experimental d-PIGE γ-ray production cross sections for 12C, 14N and 16O and comparison with absolute thick target yields

NASA Astrophysics Data System (ADS)

Csedreki, L.; Halász, Z.; Kiss, Á. Z.

2016-08-01

Measured differential cross sections for deuteron induced γ-ray emission from the reactions 12C(d,pγ)13C, (Eγ = 3089 keV), 14N(d,pγ)15N (Eγ = 8310 keV) and 16O(d,pγ)17O (Eγ = 871 keV) available in the literature were assessed. In order to cross check the assessed γ-ray production cross section data, thick target γ-yields calculated from the differential cross sections were compared with available measured thick target yields. Recommended differential cross section data for each reaction were deduced for particle induced γ-ray emission (PIGE) applications.

Electron-impact excitation cross sections for the b /sup 3/. sigma. /sub u//sup +/ state of H/sub 2/

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khakoo, M.A.; Trajmar, S.; McAdams, R.

1987-04-01

Differential and integral cross sections for electron-impact excitation of the b /sup 3/..sigma../sub u//sup +/ state of H/sub 2/ have been determined in the 20--100-eV impact energy region. The calibration of the cross sections was achieved through the H/sub 2/ elastic scattering cross sections, which in turn were normalized to absolute He elastic scattering cross sections. Comparison is made with available experimental data and with theoretical results applying Born-Ochkur-Rudge, distorted-wave, and close-coupling approximations.

New Tools to Prepare ACE Cross-section Files for MCNP Analytic Test Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B.

Monte Carlo calculations using one-group cross sections, multigroup cross sections, or simple continuous energy cross sections are often used to: (1) verify production codes against known analytical solutions, (2) verify new methods and algorithms that do not involve detailed collision physics, (3) compare Monte Carlo calculation methods with deterministic methods, and (4) teach fundamentals to students. In this work we describe 2 new tools for preparing the ACE cross-section files to be used by MCNP ® for these analytic test problems, simple_ace.pl and simple_ace_mg.pl.

Measurement of Charged and Neutral Current e-p Deep Inelastic Scattering Cross Sections at High Q2

NASA Astrophysics Data System (ADS)

Derrick, M.; Krakauer, D.; Magill, S.; Mikunas, D.; Musgrave, B.; Repond, J.; Stanek, R.; Talaga, R. L.; Zhang, H.; Ayad, R.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Bruni, P.; Cara Romeo, G.; Castellini, G.; Chiarini, M.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; Gialas, I.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Nemoz, C.; Palmonari, F.; Polini, A.; Sartorelli, G.; Timellini, R.; Zamora Garcia, Y.; Zichichi, A.; Bargende, A.; Crittenden, J.; Desch, K.; Diekmann, B.; Doeker, T.; Eckert, M.; Feld, L.; Frey, A.; Geerts, M.; Geitz, G.; Grothe, M.; Haas, T.; Hartmann, H.; Haun, D.; Heinloth, K.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Mari, S. M.; Mass, A.; Mengel, S.; Mollen, J.; Paul, E.; Rembser, Ch.; Schattevoy, R.; Schramm, D.; Stamm, J.; Wedemeyer, R.; Campbell-Robson, S.; Cassidy, A.; Dyce, N.; Foster, B.; George, S.; Gilmore, R.; Heath, G. P.; Heath, H. F.; Llewellyn, T. J.; Morgado, C. J.; Norman, D. J.; O'Mara, J. A.; Tapper, R. J.; Wilson, S. S.; Yoshida, R.; Rau, R. R.; Arneodo, M.; Iannotti, L.; Schioppa, M.; Susinno, G.; Bernstein, A.; Caldwell, A.; Cartiglia, N.; Parsons, J. A.; Ritz, S.; Sciulli, F.; Straub, P. B.; Wai, L.; Yang, S.; Zhu, Q.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Piotrzkowski, K.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Rulikowska-Zarȩbska, E.; Suszycki, L.; ZajaÇ, J.; Kotański, A.; Przybycień, M.; Bauerdick, L. A.; Behrens, U.; Beier, H.; Bienlein, J. K.; Coldewey, C.; Deppe, O.; Desler, K.; Drews, G.; Flasiński, M.; Gilkinson, D. J.; Glasman, C.; Göttlicher, P.; Grosse-Knetter, J.; Gutjahr, B.; Hain, W.; Hasell, D.; Hessling, H.; Hultschig, H.; Iga, Y.; Joos, P.; Kasemann, M.; Klanner, R.; Koch, W.; Köpke, L.; Kötz, U.; Kowalski, H.; Labs, J.; Ladage, A.; Löhr, B.; Löwe, M.; Lüke, D.; Mańczak, O.; Ng, J. S.; Nickel, S.; Notz, D.; Ohrenberg, K.; Roco, M.; Rohde, M.; Roldán, J.; Schneekloth, U.; Schulz, W.; Selonke, F.; Stiliaris, E.; Surrow, B.; Voss, T.; Westphal, D.; Wolf, G.; Youngman, C.; Zhou, J. F.; Grabosch, H. J.; Kharchilava, A.; Leich, A.; Mattingly, M.; Meyer, A.; Schlenstedt, S.; Wulff, N.; Barbagli, G.; Pelfer, P.; Anzivino, G.; Maccarrone, G.; de Pasquale, S.; Votano, L.; Bamberger, A.; Eisenhardt, S.; Freidhof, A.; Söldner-Rembold, S.; Schroeder, J.; Trefzger, T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Fleck, J. I.; Saxon, D. H.; Utley, M. L.; Wilson, A. S.; Dannemann, A.; Holm, U.; Horstmann, D.; Neumann, T.; Sinkus, R.; Wick, K.; Badura, E.; Burow, B. D.; Hagge, L.; Lohrmann, E.; Mainusch, J.; Milewski, J.; Nakahata, M.; Pavel, N.; Poelz, G.; Schott, W.; Zetsche, F.; Bacon, T. C.; Butterworth, I.; Gallo, E.; Harris, V. L.; Hung, B. Y.; Long, K. R.; Miller, D. B.; Morawitz, P. P.; Prinias, A.; Sedgbeer, J. K.; Whitfield, A. F.; Mallik, U.; McCliment, E.; Wang, M. Z.; Wang, S. M.; Wu, J. T.; Zhang, Y.; Cloth, P.; Filges, D.; An, S. H.; Hong, S. M.; Nam, S. W.; Park, S. K.; Suh, M. H.; Yon, S. H.; Imlay, R.; Kartik, S.; Kim, H.-J.; McNeil, R. R.; Metcalf, W.; Nadendla, V. K.; Barreiro, F.; Cases, G.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; del Peso, J.; Puga, J.; Terron, J.; de Trocóniz, J. F.; Smith, G. R.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Matthews, C. G.; Patel, P. M.; Sinclair, L. E.; Stairs, D. G.; St. Laurent, M.; Ullmann, R.; Zacek, G.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Gladilin, L. K.; Golubkov, Y. A.; Kobrin, V. D.; Kuzmin, V. A.; Proskuryakov, A. S.; Savin, A. A.; Shcheglova, L. M.; Solomin, A. N.; Zotov, N. P.; Botje, M.; Chlebana, F.; Dake, A.; Engelen, J.; de Kamps, M.; Kooijman, P.; Kruse, A.; Tiecke, H.; Verkerke, W.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; van Woudenberg, R.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Honscheid, K.; Li, C.; Ling, T. Y.; McLean, K. W.; Murray, W. N.; Park, I. H.; Romanowski, T. A.; Seidlein, R.; Bailey, D. S.; Blair, G. A.; Byrne, A.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Daniels, D.; Devenish, R. C.; Harnew, N.; Lancaster, M.; Luffman, P. E.; Lindemann, L.; McFall, J. D.; Nath, C.; Noyes, V. A.; Quadt, A.; Uijterwaal, H.; Walczak, R.; Wilson, F. F.; Yip, T.; Abbiendi, G.; Bertolin, A.; Brugnera, R.; Carlin, R.; dal Corso, F.; de Giorgi, M.; Dosselli, U.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Butterworth, J. M.; Feild, R. G.; Oh, B. Y.; Whitmore, J. J.; D'Agostini, G.; Marini, G.; Nigro, A.; Tassi, E.; Hart, J. C.; McCubbin, N. A.; Prytz, K.; Shah, T. P.; Short, T. L.; Barberis, E.; Dubbs, T.; Heusch, C.; van Hook, M.; Hubbard, B.; Lockman, W.; Rahn, J. T.; Sadrozinski, H. F.-W.; Seiden, A.; Biltzinger, J.; Schwarzer, O.; Seifert, R. J.; Walenta, A. H.; Zech, G.; Abramowicz, H.; Briskin, G.; Dagan, S.; Levy, A.; Hasegawa, T.; Hazumi, M.; Ishii, T.; Kuze, M.; Mine, S.; Nagasawa, Y.; Nakao, M.; Suzuki, I.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Chiba, M.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Nakamitsu, Y.; Yamauchi, K.; Cirio, R.; Costa, M.; Ferrero, M. I.; Lamberti, L.; Maselli, S.; Peroni, C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Bandyopadhyay, D.; Benard, F.; Brkic, M.; Crombie, M. B.; Gingrich, D. M.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Sampson, C. R.; Teuscher, R. J.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. L.; Shulman, J.; Blankenship, K.; Kochocki, J.; Lu, B.; Mo, L. W.; Bogusz, W.; Charchuła, K.; Ciborowski, J.; Gajewski, J.; Grzelak, G.; Kasprzak, M.; Krzyżanowski, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Żarnecki, A. F.; Adamus, M.; Eisenberg, Y.; Karshon, U.; Revel, D.; Zer-Zion, D.; Ali, I.; Badgett, W. F.; Behrens, B.; Dasu, S.; Fordham, C.; Foudas, C.; Goussiou, A.; Loveless, R. J.; Reeder, D. D.; Silverstein, S.; Smith, W. H.; Vaiciulis, A.; Wodarczyk, M.; Tsurugai, T.; Bhadra, S.; Cardy, M. L.; Fagerstroem, C.-P.; Frisken, W. R.; Furutani, K. M.; Khakzad, M.; Schmidke, W. B.

1995-08-01

Deep inelastic e-p scattering has been studied in both the charged current (CC) and neutral current (NC) reactions at momentum transfers squared Q2 above 400 GeV2 using the ZEUS detector at the HERA ep collider. The CC and NC total cross sections, the NC to CC cross section ratio, and the differential cross sections dσ/dQ2 are presented. From the Q2 dependence of the CC cross section, the mass term in the CC propagator is determined to be MW = 76+/-16+/-13 GeV.

Effects of silicon cross section and neutron spectrum on the radial uniformity in neutron transmutation doping.

PubMed

Kim, Haksung; Ho Pyeon, Cheol; Lim, Jae-Yong; Misawa, Tsuyoshi

2012-01-01

The effects of silicon cross section and neutron spectrum on the radial uniformity of a Si-ingot are examined experimentally with various neutron spectrum conditions. For the cross section effect, the numerical results using silicon single crystal cross section reveal good agreements with experiments within relative difference of 6%, whereas the discrepancy is approximately 20% in free-gas cross section. For the neutron spectrum effect, the radial uniformity in hard neutron spectrum is found to be more flattening than that in soft spectrum. Copyright © 2011 Elsevier Ltd. All rights reserved.

Electron-Impact Total Ionization Cross Sections of CH and C2H2

PubMed Central

Kim, Yong-Ki; Ali, M. Asgar; Rudd, M. Eugene

1997-01-01

Electron-impact total ionization cross sections for the CH radical and C2H2 (acetylene) have been calculated using the Binary-Encounter-Bethe (BEB) model. The BEB model combines the Mott cross section and the asymptotic form of the Bethe theory, and has been shown to generate reliable ionization cross sections for a large variety of molecules. The BEB cross sections for CH and C2H2 are in good agreement with the available experimental data from ionization thresholds to hundreds of eV in incident energies. PMID:27805116

Total reaction cross sections and neutron-removal cross sections of neutron-rich light nuclei measured by the COMBAS fragment-separator

NASA Astrophysics Data System (ADS)

Hue, B. M.; Isataev, T.; Erdemchimeg, B.; Artukh, A. G.; Aznabaev, D.; Davaa, S.; Klygin, S. A.; Kononenko, G. A.; Khuukhenkhuu, G.; Kuterbekov, K.; Lukyanov, S. M.; Mikhailova, T. I.; Maslov, V. A.; Mendibaev, K.; Sereda, Yu M.; Penionzhkevich, Yu E.; Vorontsov, A. N.

2017-12-01

Preliminary results of measurements of the total reaction cross sections σR and neutron removal cross section σ-xn for weakly bound 6He, 8Li, 9Be and 10Be nuclei at energy range (20-35) A MeV with 28Si target is presented. The secondary beams of light nuclei were produced by bombardment of the 22Ne (35 A MeV) primary beam on Be target and separated by COMBAS fragment-separator. In dispersive focal plane a horizontal slit defined the momentum acceptance as 1% and a wedge degrader of 200 μm Al was installed. The Bρ of the second section of the fragment-separator was adjusted for measurements in energy range (20-35) A MeV. Two-neutron removal cross sections for 6He and 10Be and one -neutron removal cross sections 8Li and 9Be were measured.

Bodies with noncircular cross sections and bank-to-turn missiles

NASA Technical Reports Server (NTRS)

Jackson, C. M., Jr.; Sawyer, W. C.

1986-01-01

An evaluation is made of prospective missile applications for noncircular cross section bodies, and of recent developments in bank-to-turn missile configuration aerodynamics. The discussion encompasses cross-flow analysis techniques, as well as study results obtained for bodies with elliptical and square cross sections and with variable cross sections. Attention is given to both the performance advantages and the stability and control problems of bank-to-turn missile configurations; the aerodynamic data presented for monoplanar configurations extend to those incorporating airbreathing propulsion systems.

Cross sections for the dissociative attachment of electrons to NO

NASA Technical Reports Server (NTRS)

Krishnakumar, E.; Srivastava, S. K.

1988-01-01

Cross sections for the production of O(-) by electron attachment to NO are reported. It is found that the maximum value of the cross section is about 52 percent higher than the measurement of Rapp and Briglia (1965). Cross sections for the process of polar dissociation, e + NO yields N(+) + O(_), have also been measured, and the threshold energy for this process has been obtained.

Energy and chemicals from the selective electrooxidation of renewable diols by organometallic fuel cells.

PubMed

Bellini, Marco; Bevilacqua, Manuela; Filippi, Jonathan; Lavacchi, Alessandro; Marchionni, Andrea; Miller, Hamish A; Oberhauser, Werner; Vizza, Francesco; Annen, Samuel P; Grützmacher, H

2014-09-01

Organometallic fuel cells catalyze the selective electrooxidation of renewable diols, simultaneously providing high power densities and chemicals of industrial importance. It is shown that the unique organometallic complex [Rh(OTf)(trop2NH)(PPh3)] employed as molecular active site in an anode of an OMFC selectively oxidizes a number of renewable diols, such as ethylene glycol , 1,2-propanediol (1,2-P), 1,3-propanediol (1,3-P), and 1,4-butanediol (1,4-B) to their corresponding mono-carboxylates. The electrochemical performance of this molecular catalyst is discussed, with the aim to achieve cogeneration of electricity and valuable chemicals in a highly selective electrooxidation from diol precursors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fe(OTf)3-catalysed Friedel–Crafts reaction of benzenoid arenes with α,β-unsaturated carbonyl compounds: easy access to 1,1-diarylalkanes

PubMed Central

Bhattacharya, Aditya; Shukla, Pushpendra Mani

2017-01-01

A simple and efficient method for the synthesis of 1,1-diarylalkanes via the Friedel–Crafts-type alkylation reaction of electron-rich arenes with cinnamic acid ester derivatives or chalcones is reported. Iron triflate has been found to be the best catalyst for the Friedel–Crafts-type alkylation reaction with α,β-unsaturated carbonyl compounds. This reaction afforded β,β-diaryl carbonyl compounds in good yields (65–93%) and with excellent regioselectivities. Remarkably, this method is also compatible with a variety of indoles to provide 3-indolyl-aryl carbonyl compounds in excellent yields. Great efforts have been made to deduce a plausible reaction mechanism based on isotopic labelling experiments. PMID:29134078

Multicomponent Synthesis and Evaluation of New 1,2,3-Triazole Derivatives of Dihydropyrimidinones as Acidic Corrosion Inhibitors for Steel.

PubMed

González-Olvera, Rodrigo; Román-Rodríguez, Viridiana; Negrón-Silva, Guillermo E; Espinoza-Vázquez, Araceli; Rodríguez-Gómez, Francisco Javier; Santillan, Rosa

2016-02-22

An efficient one-pot synthesis of 1,2,3-triazole derivatives of dihydropyrimidinones has been developed using two multicomponent reactions. The aldehyde-1,2,3-triazoles were obtained in good yields from in situ-generated organic azides and O-propargylbenzaldehyde. The target heterocycles were synthesized through the Biginelli reaction in which the aldehyde-1,2,3-triazoles reacted with ethyl acetoacetate and urea in the presence of Ce(OTf)₃ as the catalyst. The corrosion inhibition of steel grade API 5 L X52 in 1 M HCl by the synthesized compounds was investigated using the electrochemical impedance spectroscopy technique. The measurements revealed that these heterocycles are promising candidates to inhibit acidic corrosion of steel.

Practical synthesis, anticonvulsant, and antimicrobial activity of N-allyl and N-propargyl di(indolyl)indolin-2-ones.

PubMed

Praveen, Chandrasekaran; Ayyanar, Asairajan; Perumal, Paramasivan Thirumalai

2011-07-01

An operation friendly protocol for the synthesis of novel di(indolyl)indolin-2-ones via Cu(OTf)(2) catalyzed bis-addition of N-allyl and N-propargyl indole with isatin was developed. This methodology allowed us to achieve the products in excellent yields without requiring purification technique like column chromatography. All the synthesized compounds were evaluated for their in vivo anticonvulsant activity against maximal electroshock test. Six compounds showed maximum activity compared to the standard drug phenytoin. The scope of the new molecules as antimicrobial agents were tested against two bacterial strains (Staphylococcus aureus and Escherichia coli) and one fungal strain (Candida albicans). Copyright © 2011 Elsevier Ltd. All rights reserved.

Ground beetle communities in a mountain river subjected to restoration: The Raba River, Polish Carpathians.

PubMed

Bednarska, Agnieszka J; Wyżga, Bartłomiej; Mikuś, Paweł; Kędzior, Renata

2018-01-01

Effects of passive restoration of mountain rivers on the organisms inhabiting exposed riverine sediments are considerably less understood than those concerning aquatic biota. Thus, the effects of a recovery of the Raba River after abandonment of maintenance of its channelization scheme on ground beetle (Coleoptera: Carabidae) communities were investigated by comparing 6 unmanaged cross-sections and 6 cross-sections from adjacent channelized reaches. In each cross-section, ground beetles were collected from 12 sampling sites in spring, summer, and autumn, and 8 habitat parameters characterizing the cross-sections and sampling sites were determined. Within a few years after abandonment of the Raba River channelization scheme, the width of this gravel-bed river increased up to three times and its multi-thread pattern became re-established. Consequently, unmanaged river cross-sections had significantly larger channel width and more low-flow channels and eroding cutbanks than channelized cross-sections. Moreover, sampling sites in the unmanaged cross-sections were typified by significantly steeper average surface slope and larger average distance from low-flow channels than the sites in channelized cross-sections. In total, 3992 individuals from 78 taxa were collected during the study. The ground beetle assemblages were significantly more abundant and richer in species in the unmanaged than in the channelized cross-sections but no significant differences in carabid diversity indices between the two cross-section types were recorded. Redundancy Analysis indicated active river zone width as the only variable explaining differences in abundance and species richness among the cross-sections. Multiple regression analysis indicated species diversity to predominantly depend on the degree of plant cover and substrate grain size. The study showed that increased availability of exposed sediments in the widened river reaches allowed ground beetles to increase their abundance and species richness within a few years after the onset of river restoration, but more time may be needed for development of more diverse carabid communities. Copyright © 2017 Elsevier B.V. All rights reserved.

Method Development for Binding Media Analysis in Painting Cross-Sections by Desorption Electrospray Ionization-Mass Spectrometry (DESI-MS).

PubMed

Watts, Kristen; Lagalante, Anthony

2018-06-06

Art conservation science is in need of a relatively nondestructive way of rapidly identifying the binding media within a painting cross-section and isolating binding media to specific layers within the cross-section. Knowledge of the stratigraphy of cross-sections can be helpful for removing possible unoriginal paint layers on the artistic work. Desorption electrospray ionization-mass spectrometry (DESI-MS) was used in ambient mode to study cross-sections from mock-up layered paint samples and samples from a 17th century baroque painting. The DESI spray was raster scanned perpendicular to the cross-section layers to maximize lateral resolution then analyzed with a triple quadrupole mass analyzer in linear ion trap mode. From these scans, isobaric mass maps were created to map the locations of masses indicative of particular binding media onto the cross-sections. Line paint-outs of pigments in different binding media showed specific and unique ions to distinguish between the modern acrylic media and the lipid containing binding media. This included: OP (EO) 9 surfactant in positive ESI for acrylic (m/z 621), and oleic (m/z 281), stearic (m/z 283), and azelaic (m/z 187) acids in negative ESI for oil and egg tempera. DESI-MS maps of mock-up cross-sections of layered pigmented binding media showed correlation between these ions and the layers with a spatial resolution of 100 μm. DESI-MS is effective in monitoring binding media within an intact painting cross-section via mass spectrometric methods. This includes distinguishing between lipid-containing and modern binding materials present in a known mockup cross section matrix as well as identifying lipid binding media in a 17th century baroque era painting. This article is protected by copyright. All rights reserved.

Production cross sections of cosmic antiprotons in the light of new data from the NA61 and LHCb experiments

NASA Astrophysics Data System (ADS)

Korsmeier, Michael; Donato, Fiorenza; Di Mauro, Mattia

2018-05-01

The cosmic-ray flux of antiprotons is measured with high precision by the space-borne particle spectrometers AMS-02. Its interpretation requires a correct description of the dominant production process for antiprotons in our Galaxy, namely, the interaction of cosmic-ray proton and helium with the interstellar medium. In light of new cross section measurements by the NA61 experiment of p +p →p ¯+X and the first ever measurement of p +He →p ¯+X by the LHCb experiment, we update the parametrization of proton-proton and proton-nucleon cross sections. We find that the LHCb p He data constrain a shape for the cross section at high energies and show for the first time how well the rescaling from the p p channel applies to a helium target. By using p p , p He and p C data we estimate the uncertainty on the Lorentz invariant cross section for p +He →p ¯+X . We use these new cross sections to compute the source term for all the production channels, considering also nuclei heavier than He both in cosmic rays and the interstellar medium. The uncertainties on the total source term are up to ±20 % and slightly increase below antiproton energies of 5 GeV. This uncertainty is dominated by the p +p →p ¯+X cross section, which translates into all channels since we derive them using the p p cross sections. The cross sections to calculate the source spectra from all relevant cosmic-ray isotopes are provided in Supplemental Material. We finally quantify the necessity of new data on antiproton production cross sections, and pin down the kinematic parameter space which should be covered by future data.

Electron impact ionization cross sections of beryllium-tungsten clusters*

NASA Astrophysics Data System (ADS)

Sukuba, Ivan; Kaiser, Alexander; Huber, Stefan E.; Urban, Jan; Probst, Michael

2016-01-01

We report calculated electron impact ionization cross sections (EICSs) of beryllium-tungsten clusters, BenW with n = 1,...,12, from the ionization threshold to 10 keV using the Deutsch-Märk (DM) and the binary-encounter-Bethe (BEB) formalisms. The positions of the maxima of DM and BEB cross sections are mostly close to each other. The DM cross sections are more sensitive with respect to the cluster size. For the clusters smaller than Be4W they yield smaller cross sections than BEB and vice versa larger cross sections than BEB for clusters larger than Be6W. The maximum cross section values for the singlet-spin groundstate clusters range from 7.0 × 10-16 cm2 at 28 eV (BeW) to 54.2 × 10-16 cm2 at 43 eV (Be12W) for the DM cross sections and from 13.5 × 10-16 cm2 at 43 eV (BeW) to 38.9 × 10-16 cm2 at 43 eV (Be12W) for the BEB cross sections. Differences of the EICSs in different isomers and between singlet and triplet states are also explored. Both the DM and BEB cross sections could be fitted perfectly to a simple expression used in modeling and simulation codes in the framework of nuclear fusion research. Contribution to the Topical Issue "Atomic Cluster Collisions (7th International Symposium)", edited by Gerardo Delgado Barrio, Andrey Solov'Yov, Pablo Villarreal, Rita Prosmiti.Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjd/e2015-60583-7

Automatic arteriovenous crossing phenomenon detection on retinal fundus images

NASA Astrophysics Data System (ADS)

Hatanaka, Yuji; Muramatsu, Chisako; Hara, Takeshi; Fujita, Hiroshi

2011-03-01

Arteriolosclerosis is one cause of acquired blindness. Retinal fundus image examination is useful for early detection of arteriolosclerosis. In order to diagnose the presence of arteriolosclerosis, the physicians find the silver-wire arteries, the copper-wire arteries and arteriovenous crossing phenomenon on retinal fundus images. The focus of this study was to develop the automated detection method of the arteriovenous crossing phenomenon on the retinal images. The blood vessel regions were detected by using a double ring filter, and the crossing sections of artery and vein were detected by using a ring filter. The center of that ring was an interest point, and that point was determined as a crossing section when there were over four blood vessel segments on that ring. And two blood vessels gone through on the ring were classified into artery and vein by using the pixel values on red and blue component image. Finally, V2-to-V1 ratio was measured for recognition of abnormalities. V1 was the venous diameter far from the blood vessel crossing section, and V2 was the venous diameter near from the blood vessel crossing section. The crossing section with V2-to-V1 ratio over 0.8 was experimentally determined as abnormality. Twenty four images, including 27 abnormalities and 54 normal crossing sections, were used for preliminary evaluation of the proposed method. The proposed method was detected 73% of crossing sections when the 2.8 sections per image were mis-detected. And, 59% of abnormalities were detected by measurement of V1-to-V2 ratio when the 1.7 sections per image were mis-detected.

Electron impact excitation of H2 - Rydberg band systems and the benchmark dissociative cross section for H Lyman-alpha

NASA Technical Reports Server (NTRS)

Shemansky, D. E.; Hall, D. T.; Ajello, J. M.

1985-01-01

The cross sections sigma R 1 (2p) for excitation of H Ly-alpha emission produced by electron impact on H2 is reexamined. A more accurate estimate for sigma R 1 (2p) is obtained based on Born approximation estimates of the H2 Rydberg system cross sections using measured relative excitation functions. The obtained value is (8.18 + or -1.2) x 10 to the -18th sq cm at 100 eV, a factor of 0.69 below the value universally applied to cross section measurements over the past decade. Cross sections for the H2 Rydberg systems fixed in magnitude by the Born approximation have also been obtained using experimentally determined excitation functions. Accurate analytic expressions for these cross sections allow the direct calculation of rate coefficients.

Creation of problem-dependent Doppler-broadened cross sections in the KENO Monte Carlo code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hart, Shane W. D.; Celik, Cihangir; Maldonado, G. Ivan

2015-11-06

In this paper, we introduce a quick method for improving the accuracy of Monte Carlo simulations by generating one- and two-dimensional cross sections at a user-defined temperature before performing transport calculations. A finite difference method is used to Doppler-broaden cross sections to the desired temperature, and unit-base interpolation is done to generate the probability distributions for double differential two-dimensional thermal moderator cross sections at any arbitrarily user-defined temperature. The accuracy of these methods is tested using a variety of contrived problems. In addition, various benchmarks at elevated temperatures are modeled, and results are compared with benchmark results. Lastly, the problem-dependentmore » cross sections are observed to produce eigenvalue estimates that are closer to the benchmark results than those without the problem-dependent cross sections.« less

Measurement of neutrino-induced charged-current charged pion production cross sections on mineral oil at Eν˜1GeV

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A. A.; Anderson, C. E.; Bazarko, A. O.; Brice, S. J.; Brown, B. C.; Bugel, L.; Cao, J.; Coney, L.; Conrad, J. M.; Cox, D. C.; Curioni, A.; Dharmapalan, R.; Djurcic, Z.; Finley, D. A.; Fleming, B. T.; Ford, R.; Garcia, F. G.; Garvey, G. T.; Grange, J.; Green, C.; Green, J. A.; Hart, T. L.; Hawker, E.; Imlay, R.; Johnson, R. A.; Karagiorgi, G.; Kasper, P.; Katori, T.; Kobilarcik, T.; Kourbanis, I.; Koutsoliotas, S.; Laird, E. M.; Linden, S. K.; Link, J. M.; Liu, Y.; Liu, Y.; Louis, W. C.; Mahn, K. B. M.; Marsh, W.; Mauger, C.; McGary, V. T.; McGregor, G.; Metcalf, W.; Meyers, P. D.; Mills, F.; Mills, G. B.; Monroe, J.; Moore, C. D.; Mousseau, J.; Nelson, R. H.; Nienaber, P.; Nowak, J. A.; Osmanov, B.; Ouedraogo, S.; Patterson, R. B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Prebys, E.; Raaf, J. L.; Ray, H.; Roe, B. P.; Russell, A. D.; Sandberg, V.; Schirato, R.; Schmitz, D.; Shaevitz, M. H.; Shoemaker, F. C.; Smith, D.; Soderberg, M.; Sorel, M.; Spentzouris, P.; Spitz, J.; Stancu, I.; Stefanski, R. J.; Sung, M.; Tanaka, H. A.; Tayloe, R.; Tzanov, M.; van de Water, R.; Wascko, M. O.; White, D. H.; Wilking, M. J.; Yang, H. J.; Zeller, G. P.; Zimmerman, E. D.

2011-03-01

Using a high-statistics, high-purity sample of νμ-induced charged current, charged pion events in mineral oil (CH2), MiniBooNE reports a collection of interaction cross sections for this process. This includes measurements of the CCπ+ cross section as a function of neutrino energy, as well as flux-averaged single- and double-differential cross sections of the energy and direction of both the final-state muon and pion. In addition, each of the single-differential cross sections are extracted as a function of neutrino energy to decouple the shape of the MiniBooNE energy spectrum from the results. In many cases, these cross sections are the first time such quantities have been measured on a nuclear target and in the 1 GeV energy range.

Communication: Electron ionization of DNA bases.

PubMed

Rahman, M A; Krishnakumar, E

2016-04-28

No reliable experimental data exist for the partial and total electron ionization cross sections for DNA bases, which are very crucial for modeling radiation damage in genetic material of living cell. We have measured a complete set of absolute partial electron ionization cross sections up to 500 eV for DNA bases for the first time by using the relative flow technique. These partial cross sections are summed to obtain total ion cross sections for all the four bases and are compared with the existing theoretical calculations and the only set of measured absolute cross sections. Our measurements clearly resolve the existing discrepancy between the theoretical and experimental results, thereby providing for the first time reliable numbers for partial and total ion cross sections for these molecules. The results on fragmentation analysis of adenine supports the theory of its formation in space.

Photon scattering cross sections of H2 and He measured with synchrotron radiation

NASA Technical Reports Server (NTRS)

Ice, G. E.

1977-01-01

Total (elastic + inelastic) differential photon scattering cross sections have been measured for H2 gas and He, using an X-ray beam. Absolute measured cross sections agree with theory within the probable errors. Relative cross sections (normalized to theory at large S) agree to better than one percent with theoretical values calculated from wave functions that include the effect of electron-electron Coulomb correlation, but the data deviate significantly from theoretical independent-particle (e.g., Hartree-Fock) results. The ratios of measured absolute He cross sections to those of H2, at any given S, also agree to better than one percent with theoretical He-to-H2 cross-section ratios computed from correlated wave functions. It appears that photon scattering constitutes a very promising tool for probing electron correlation in light atoms and molecules.

Electron impact ionisation cross section for organoplatinum compounds

NASA Astrophysics Data System (ADS)

Mahato, Dibyendu; Naghma, Rahla; Alam, Mohammad Jane; Ahmad, Shabbir; Antony, Bobby

2016-11-01

This article reports electron impact ionisation cross sections for platinum-based drugs viz., cisplatin (H6N2Cl2Pt), carboplatin (C6H12N2O4Pt), oxaliplatin (C8H14N2O4Pt), nedaplatin (C2H8N2O3Pt) and satraplatin (C10H22ClN2O4Pt) complexes used in the cancer chemotherapy. The multi-scattering centre spherical complex optical potential formalism is used to obtain the inelastic cross section for these large molecules upon electron impact. The ionisation cross section is derived from the inelastic cross section employing complex scattering potential-ionisation contribution method. Comparison is made with previous results, where ever available and overall a reasonable agreement is observed. This is the first attempt to report total ionisation cross sections for nedaplatin and satraplatin complexes.

Effect of wave function on the proton induced L XRP cross sections for 62Sm and 74W

NASA Astrophysics Data System (ADS)

Shehla, Kaur, Rajnish; Kumar, Anil; Puri, Sanjiv

2015-08-01

The Lk(k= 1, α, β, γ) X-ray production cross sections have been calculated for 74W and 62Sm at different incident proton energies ranging 1-5 MeV using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell X-ray emission rates based on the Dirac-Fork (DF) model, the fluorescence and Coster Kronig yields based on the Dirac- Hartree-Slater (DHS) model and two sets the proton ionization cross sections based on the DHS model and the ECPSSR in order to assess the influence of the wave function on the XRP cross sections. The calculated cross sections have been compared with the measured cross sections reported in the recent compilation to check the reliability of the calculated values.

Comparative analysis of characteristic electron energy loss spectra and inelastic scattering cross-section spectra of Fe

NASA Astrophysics Data System (ADS)

Parshin, A. S.; Igumenov, A. Yu.; Mikhlin, Yu. L.; Pchelyakov, O. P.; Zhigalov, V. S.

2016-05-01

The inelastic electron scattering cross section spectra of Fe have been calculated based on experimental spectra of characteristic reflection electron energy loss as dependences of the product of the inelastic mean free path by the differential inelastic electron scattering cross section on the electron energy loss. It has been shown that the inelastic electron scattering cross-section spectra have certain advantages over the electron energy loss spectra in the analysis of the interaction of electrons with substance. The peaks of energy loss in the spectra of characteristic electron energy loss and inelastic electron scattering cross sections have been determined from the integral and differential spectra. It has been shown that the energy of the bulk plasmon is practically independent of the energy of primary electrons in the characteristic electron energy loss spectra and monotonically increases with increasing energy of primary electrons in the inelastic electron scattering cross-section spectra. The variation in the maximum energy of the inelastic electron scattering cross-section spectra is caused by the redistribution of intensities over the peaks of losses due to various excitations. The inelastic electron scattering cross-section spectra have been analyzed using the decomposition of the spectra into peaks of the energy loss. This method has been used for the quantitative estimation of the contributions from different energy loss processes to the inelastic electron scattering cross-section spectra of Fe and for the determination of the nature of the energy loss peaks.

Peeling Off Neutron Skins from Neutron-Rich Nuclei: Constraints on the Symmetry Energy from Neutron-Removal Cross Sections

NASA Astrophysics Data System (ADS)

Aumann, T.; Bertulani, C. A.; Schindler, F.; Typel, S.

2017-12-01

An experimentally constrained equation of state of neutron-rich matter is fundamental for the physics of nuclei and the astrophysics of neutron stars, mergers, core-collapse supernova explosions, and the synthesis of heavy elements. To this end, we investigate the potential of constraining the density dependence of the symmetry energy close to saturation density through measurements of neutron-removal cross sections in high-energy nuclear collisions of 0.4 to 1 GeV /nucleon . We show that the sensitivity of the total neutron-removal cross section is high enough so that the required accuracy can be reached experimentally with the recent developments of new detection techniques. We quantify two crucial points to minimize the model dependence of the approach and to reach the required accuracy: the contribution to the cross section from inelastic scattering has to be measured separately in order to allow a direct comparison of experimental cross sections to theoretical cross sections based on density functional theory and eikonal theory. The accuracy of the reaction model should be investigated and quantified by the energy and target dependence of various nucleon-removal cross sections. Our calculations explore the dependence of neutron-removal cross sections on the neutron skin of medium-heavy neutron-rich nuclei, and we demonstrate that the slope parameter L of the symmetry energy could be constrained down to ±10 MeV by such a measurement, with a 2% accuracy of the measured and calculated cross sections.

Semi-empirical scaling for ion–atom single charge exchange cross sections in the intermediate velocity regime

DOE PAGES

Friedman, B.; DuCharme, G.

2017-05-11

We present a semi-empirical scaling law for non-resonant ion–atom single charge exchange cross sections for collisions with velocities frommore » $${10}^{7}\\,{\\rm{t}}{\\rm{o}}\\,{10}^{9}\\,\\mathrm{cm}\\,{{\\rm{s}}}^{-1}$$ and ions with positive charge $$q\\lt 8$$. Non-resonant cross sections tend to have a velocity peak at collision velocities $$v\\lesssim 1\\ {\\rm{a}}{\\rm{u}}$$ with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, $${\\rm{\\Delta }}E$$, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters $${v}_{{\\rm{m}}},{I}_{{\\rm{T}}},{Z}_{{\\rm{T}}},\\mathrm{and}\\ {Z}_{{\\rm{P}}}$$, where the $${Z}_{{\\rm{T}},{\\rm{P}}}$$ are the target and projectile atomic numbers. In conclusion, for the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.« less

Measured microwave scattering cross sections of three meteorite specimens

NASA Technical Reports Server (NTRS)

Hughes, W. E.

1972-01-01

Three meteorite specimens were used in a microwave scattering experiment to determine the scattering cross sections of stony meteorites and iron meteorites in the frequency range from 10 to 14 GHz. The results indicate that the stony meteorites have a microwave scattering cross section that is 30 to 50 percent of their projected optical cross section. Measurements of the iron meteorite scattering were inconclusive because of specimen surface irregularities.

Asymptotic form for the cross section for the Coulomb interacting rearrangement collisions.

NASA Technical Reports Server (NTRS)

Omidvar, K.

1973-01-01

It is shown that in a rearrangement collision leading to the formation of highly excited hydrogenlike states the cross section at high energies behaves as 1/n-squared, with n the principal quantum number, thus invalidating the Brinkman-Kramers approximation for large n. Similarly, in high-energy inelastic electron-hydrogenlike-atom collisions the exchange cross section for sufficiently large n dominates the direct excitation cross section.

Study of the angular coefficients and corresponding helicity cross sections of the W boson in hadron collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strologas, John; Errede, Steven; Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801

We present the standard model prediction for the eight angular coefficients of the W boson, which completely describes its differential cross section in hadron collisions. These coefficients are ratios of the W helicity cross sections and the total unpolarized cross section. We also suggest a technique to experimentally extract the coefficients, which we demonstrate in the Collins-Soper azimuthal-angle analysis.

Fragmentation Cross Sections of 290 and 400 MeV/nucleon 12C Beamson Elemental Targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeitlin, C.; Guetersloh, S.; Heilbronn, L.

Charge-changing and fragment production cross sections at 0circ have been obtained for interactions of 290 MeV/nucleon and 400MeV/nucleon carbon beams with C, CH2, Al, Cu, Sn, and Pb targets. Thesebeams are relevant to cancer therapy, space radiation, and the productionof radioactive beams. We compare to previously published results using Cand CH2 targets at similar beam energies. Due to ambiguities arising fromthe presence of multiple fragments on many events, previous publicationshave reported only cross sections for B and Be fragments. In this work wehave extracted cross sections for all fragment species, using dataobtained at three distinct values of angular acceptance, supplementedmore » bydata taken with the detector stack placed off the beam axis. A simulationof the experiment with the PHITS Monte Carlo code shows fair agreementwith the data obtained with the large acceptance detectors, but agreementis poor at small acceptance. The measured cross sections are alsocompared to the predictions of the one-dimensional cross section modelsEPAX2 and NUCFRG2; the latter is presently used in NASA's space radiationtransport calculations. Though PHITS and NUCFRG2 reproduce thecharge-changing cross sections with reasonable accuracy, none of themodels is able to accurately predict the fragment cross sections for allfragment species and target materials.« less

Extracting Cross-Sectional Clinical Images Based on Their Principal Axes of Inertia

PubMed Central

Fan, Yuzhou; Djuric, Marija; Li, Zhiyu; Antonijevic, Djordje; Milenkovic, Petar; Sun, Yueyang; Li, Ruining

2017-01-01

Cross-sectional imaging is considered the gold standard in diagnosing a range of diseases. However, despite its widespread use in clinical practice and research, no widely accepted method is available to reliably match cross-sectional planes in several consecutive scans. This deficiency can impede comparison between cross-sectional images and ultimately lead to misdiagnosis. Here, we propose and demonstrate a method for finding the same imaging plane in images obtained during separate scanning sessions. Our method is based on the reconstruction of a “virtual organ” from which arbitrary cross-sectional images can be extracted, independent of the axis orientation in the original scan or cut; the key is to establish unique body coordinates of the organ from its principal axes of inertia. To verify our method a series of tests were performed, and the same cross-sectional plane was successfully extracted. This new approach offers clinicians access, after just a single scanning session, to the morphology and structure of a lesion through cross-sectional images reconstructed along arbitrary axes. It also aids comparable detection of morphological and structural changes in the same imaging plane from scans of the same patient taken at different times—thus potentially reducing the misdiagnosis rate when cross-sectional images are interpreted. PMID:29410714

Extracting Cross-Sectional Clinical Images Based on Their Principal Axes of Inertia.

PubMed

Fan, Yuzhou; Luo, Liangping; Djuric, Marija; Li, Zhiyu; Antonijevic, Djordje; Milenkovic, Petar; Sun, Yueyang; Li, Ruining; Fan, Yifang

2017-01-01

Cross-sectional imaging is considered the gold standard in diagnosing a range of diseases. However, despite its widespread use in clinical practice and research, no widely accepted method is available to reliably match cross-sectional planes in several consecutive scans. This deficiency can impede comparison between cross-sectional images and ultimately lead to misdiagnosis. Here, we propose and demonstrate a method for finding the same imaging plane in images obtained during separate scanning sessions. Our method is based on the reconstruction of a "virtual organ" from which arbitrary cross-sectional images can be extracted, independent of the axis orientation in the original scan or cut; the key is to establish unique body coordinates of the organ from its principal axes of inertia. To verify our method a series of tests were performed, and the same cross-sectional plane was successfully extracted. This new approach offers clinicians access, after just a single scanning session, to the morphology and structure of a lesion through cross-sectional images reconstructed along arbitrary axes. It also aids comparable detection of morphological and structural changes in the same imaging plane from scans of the same patient taken at different times-thus potentially reducing the misdiagnosis rate when cross-sectional images are interpreted.

Use of the Bethe equation for inner-shell ionization by electron impact

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

2016-05-14

We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L{sub 3}-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections andmore » available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232–276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.« less

Cross-Sectional Analysis of Longitudinal Mediation Processes.

PubMed

O'Laughlin, Kristine D; Martin, Monica J; Ferrer, Emilio

2018-01-01

Statistical mediation analysis can help to identify and explain the mechanisms behind psychological processes. Examining a set of variables for mediation effects is a ubiquitous process in the social sciences literature; however, despite evidence suggesting that cross-sectional data can misrepresent the mediation of longitudinal processes, cross-sectional analyses continue to be used in this manner. Alternative longitudinal mediation models, including those rooted in a structural equation modeling framework (cross-lagged panel, latent growth curve, and latent difference score models) are currently available and may provide a better representation of mediation processes for longitudinal data. The purpose of this paper is twofold: first, we provide a comparison of cross-sectional and longitudinal mediation models; second, we advocate using models to evaluate mediation effects that capture the temporal sequence of the process under study. Two separate empirical examples are presented to illustrate differences in the conclusions drawn from cross-sectional and longitudinal mediation analyses. Findings from these examples yielded substantial differences in interpretations between the cross-sectional and longitudinal mediation models considered here. Based on these observations, researchers should use caution when attempting to use cross-sectional data in place of longitudinal data for mediation analyses.

Single- and double-photoionization cross sections of atomic nitrogen from threshold to 31 A

NASA Technical Reports Server (NTRS)

Samson, James A. R.; Angel, G. C.

1990-01-01

The relative photoionization cross section of atomic nitrogen for the production of singly and doubly charged ions has been measured from 44.3 to 275 A and from 520 to 852 A. The results have been made absolute by normalization to one-half of the molecular nitrogen cross section at short wavelengths. The smoothed atomic nitrogen cross sections sigma can be accurately represented, at short wavelengths, by the equation sigma(Mb) = 36,700 x (E exp-2.3) as a function of the photon energy E (eV), thereby allowing the cross sections to be extrapolated to the nitrogen K edge at 31 A.

Analysis of the effectiveness of various cross-sections in large-span post-tensioned ceilings

NASA Astrophysics Data System (ADS)

Bednarz, K.

2018-03-01

The correct construction of large span, slim post-tensioned concrete slabs is conditioned by an appropriate cross-section selection. It is generally accepted that the thinnest slab can be constructed using the full cross-section as the largest compression stress storage. However, completely different cross-sections may help to overcome large spans. The paper presents the results of the computational analysis of several types of cross-sections (full, with internal relieving inserts and ribbed) in the application to a post-tensioned slab with a span of 15.0m. Based on the results presented, appropriate conclusions were drawn.

Calculation of the Coulomb Fission Cross Sections for Pb-Pb and Bi-Pb Interactions at 158 A GeV

NASA Technical Reports Server (NTRS)

Poyser, William J.; Ahern, Sean C.; Norbury, John W.; Tripathi, R. K.

2002-01-01

The Weizsacker-Williams (WW) method of virtual quanta is used to make approximate cross section calculations for peripheral relativistic heavy-ion collisions. We calculated the Coulomb fission cross sections for projectile ions of Pb-208 and Bi-209 with energies of 158 A GeV interacting with a Pb-208 target. We also calculated the electromagnetic absorption cross section for Pb-208 ion interacting as described. For comparison we use both the full WW method and a standard approximate WW method. The approximate WW method in larger cross sections compared to the more accurate full WW method.

Lidar cross-sections of soot fractal aggregates: Assessment of equivalent-sphere models

NASA Astrophysics Data System (ADS)

Ceolato, Romain; Gaudfrin, Florian; Pujol, Olivier; Riviere, Nicolas; Berg, Matthew J.; Sorensen, Christopher M.

2018-06-01

This work assesses the ability of equivalent-sphere models to reproduce the optical properties of soot aggregates relevant for lidar remote sensing, i.e. the backscattering and extinction cross sections. Lidar cross-sections are computed with a spectral discrete dipole approximation model over the visible-to-infrared (400-5000 nm) spectrum and compared with equivalent-sphere approximations. It is shown that the equivalent-sphere approximation, applied to fractal aggregates, has a limited ability to calculate such cross-sections well. The approximation should thus be used with caution for the computation of broadband lidar cross-sections, especially backscattering, at small and intermediate wavelengths (e.g. UV to visible).

Electron capture cross sections by O+ from atomic He

NASA Astrophysics Data System (ADS)

Joseph, Dwayne C.; Saha, Bidhan C.

2009-11-01

The adiabatic representation is used in both the quantal and semi classical molecular orbital close coupling methods (MOCC) to evaluate charge exchange cross sections. Our results show good agreement with experimental cross sections

Single-level resonance parameters fit nuclear cross-sections

NASA Technical Reports Server (NTRS)

Drawbaugh, D. W.; Gibson, G.; Miller, M.; Page, S. L.

1970-01-01

Least squares analyses of experimental differential cross-section data for the U-235 nucleus have yielded single level Breit-Wigner resonance parameters that fit, simultaneously, three nuclear cross sections of capture, fission, and total.

[Effect of resin infiltration on microhardness of artificial caries lesions].

PubMed

Liu, Yonghong; Deng, Hui; Tang, Longmei; Zhang, Zhiyong

2015-12-01

To compare the changes of enamel surface and cross-sectional microhardness of artificial caries immediately and after the twice demineralization through coating resin infiltration, fluoride varnish and fissure sealant. A total of forty bovine lower incisors enamel samples with artificial caries lesions by the demineralization liquid were used in the experiment. The specimens were then randomly divided into four groups as group A(resin infiltration), B(fluoride varnish), C (fissure sealant), D(control), 10 specimens in each group. The samples were sectioned vertically into two halves through the centre. One half of each sample the surface and cross-sectional microhardness was measured. The other half was put into demineralization liquid for 14 days, then the surface and cross-sectional microhardness was measured again. The cross section morphology of the samples was observed by scanning electron microscope. The surface of enamel had the highest microhardness value, and with the increase of cross- sectional depth, the microhardness value declined gradually. Variance analysis showed that the difference was statistically significant in the cross-section of different depth among the four groups(P<0.05). The microhardness values of the surface and the cross- section at 40 µm of each group in immediate measure showed the values were significantly higher in group A, B and C than in group D. There was no significant difference in the microhardness value of cross-section at 80 µm between group A[(324 ± 17) kg/mm(2)] and group C[(316 ± 20) kg/mm(2)], but they were significantly higher than group D. There was no significant difference between group B[(303 ± 13) kg/mm(2)] and group D[(294 ± 23) kg/mm(2)]. At 120 µm level, the microhardness value of group A was significantly higher than those of the other three groups. After the twice demineralization, the enamel surface microhardness value of the specimens was the same as the first measurement. In the cross-section at 40 µm level, the microhardness value was equal to the value of cross-section at 80 µm level of the first measurement. In the cross- section at 80 µm and 120 µm level, the microhardness value of group A was significantly higher than those of the other three groups. Resin infiltration can effectively strengthen microhardness of enamel surface and cross-section of different depth of artificial caries.

Examination of the 22C radius determination with interaction cross sections

NASA Astrophysics Data System (ADS)

Nagahisa, T.; Horiuchi, W.

2018-05-01

A nuclear radius of 22C is investigated with the total reaction cross sections at medium- to high-incident energies in order to resolve the radius puzzle in which two recent interaction cross-section measurements using 1H and 12C targets show the quite different radii. The cross sections of 22C are calculated consistently for these target nuclei within a reliable microscopic framework, the Glauber theory. To describe appropriately such a reaction involving a spatially extended nucleus, the multiple scattering processes within the Glauber theory are fully taken into account, that is, the multidimensional integration in the Glauber amplitude is evaluated using a Monte Carlo technique without recourse to the optical-limit approximation. We discuss the sensitivity of the spatially extended halo tail to the total reaction cross sections. The root-mean-square matter radius obtained in this study is consistent with that extracted from the recent cross-section measurement on 12C target. We show that the simultaneous reproduction of the two recent measured cross sections is not feasible within this framework.

Measurement of the Am 242 m neutron-induced reaction cross sections

DOE PAGES

Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; ...

2017-02-17

The neutron-induced reaction cross sections of 242mAm were measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. A new neutron-capture cross section was determined, and the absolute scale was set according to a concurrent measurement of the well-known 242mAm(n,f) cross section. The (n,γ) cross section was measured from thermal energy to an incident energy of 1 eV at which point the data quality was limited by the reaction yield in the laboratory. Our new 242mAm fission cross section was normalized to ENDF/B-VII.1 tomore » set the absolute scale, and it agreed well with the (n,f) cross section from thermal energy to 1 keV. Lastly, the average absolute capture-to-fission ratio was determined from thermal energy to E n = 0.1 eV, and it was found to be 26(4)% as opposed to the ratio of 19% from the ENDF/B-VII.1 evaluation.« less

Mixed Legendre moments and discrete scattering cross sections for anisotropy representation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calloo, A.; Vidal, J. F.; Le Tellier, R.

2012-07-01

This paper deals with the resolution of the integro-differential form of the Boltzmann transport equation for neutron transport in nuclear reactors. In multigroup theory, deterministic codes use transfer cross sections which are expanded on Legendre polynomials. This modelling leads to negative values of the transfer cross section for certain scattering angles, and hence, the multigroup scattering source term is wrongly computed. The first part compares the convergence of 'Legendre-expanded' cross sections with respect to the order used with the method of characteristics (MOC) for Pressurised Water Reactor (PWR) type cells. Furthermore, the cross section is developed using piecewise-constant functions, whichmore » better models the multigroup transfer cross section and prevents the occurrence of any negative value for it. The second part focuses on the method of solving the transport equation with the above-mentioned piecewise-constant cross sections for lattice calculations for PWR cells. This expansion thereby constitutes a 'reference' method to compare the conventional Legendre expansion to, and to determine its pertinence when applied to reactor physics calculations. (authors)« less

Thermoelastic damping in microrings with circular cross-section

NASA Astrophysics Data System (ADS)

Li, Pu; Fang, Yuming; Zhang, Jianrun

2016-01-01

Predicting thermoelastic damping (TED) is crucial in the design of high Q micro-resonators. Microrings are often critical components in many micro-resonators. Some analytical models for TED in microrings have already been developed in the past. However, the previous works are limited to the microrings with rectangular cross-section. The temperature field in the rectangular cross-section is one-dimensional. This paper deals with TED in the microrings with circular cross-section. The temperature field in the circular cross-section is two-dimensional. This paper first presents a 2-D analytical model for TED in the microrings with circular cross-section. Only the two-dimensional heat conduction in the circular cross-section is considered. The heat conduction along the circumferential direction of the microring is neglected in the 2-D model. Then the 2-D model has been extended to cover the circumferential heat conduction, and a 3-D analytical model for TED has been developed. The analytical results from the present 2-D and 3-D models show good agreement with the numerical results of FEM model. The limitations of the present 2-D analytical model are assessed.

Measurement of 208Pb(n ,γ )209Pb Maxwellian averaged neutron capture cross section

NASA Astrophysics Data System (ADS)

Weissman, L.; Tessler, M.; Arenshtam, A.; Eliyahu, I.; Halfon, S.; Guerrero, C.; Kaizer, B.; Kijel, D.; Kreisel, A.; Palchan, T.; Paul, M.; Perry, A.; Schimel, G.; Silverman, I.; Shor, A.; Tamim, N.; Vaintraub, S.

2017-07-01

The doubly magic 208Pb nucleus is a bottleneck at the termination of the s -process path due to its very low neutron capture cross section. This cross section is also important for the decomposition of s , r processes and U/Th radiogenic decay contributions to the Pb-Bi solar abundances. The 208Pb(n ,γ )209Pb cross section was measured at the Soreq Applied Research Accelerator Facility Phase I using an intense quasi-Maxwellian neutron source produced by irradiation of the liquid-lithium target with a 1.5-mA continuous-wave proton beam at 1.94 MeV. The cross section was measured by counting the β activity from the irradiated lead target. The measurement allowed us to evaluate the Maxwellian averaged cross section (MACS) at 30 keV obtaining a value of 0.33(2) mb. This has been compared with the earlier activation and time-of-flight measurements found in the literature. The MACS cross-sectional value of the 63Cu(n ,γ )64Cu reaction was determined in the same experiment and is compared to a recent published value.

Multidimensional analysis of fast-spectrum material replacement measurements for systematic estimation of cross section uncertainties

NASA Technical Reports Server (NTRS)

Klann, P. G.; Lantz, E.; Mayo, W. T.

1973-01-01

A series of central core and core-reflector interface sample replacement experiments for 16 materials performed in the NASA heavy-metal-reflected, fast spectrum critical assembly (NCA) were analyzed in four and 13 groups using the GAM 2 cross-section set. The individual worths obtained by TDSN and DOT multidimensional transport theory calculations showed significant differences from the experimental results. These were attributed to cross-section uncertainties in the GAM 2 cross sections. Simultaneous analysis of the measured and calculated sample worths permitted separation of the worths into capture and scattering components which systematically provided fast spectrum averaged correction factors to the magnitudes of the GAM 2 absorption and scattering cross sections. Several Los Alamos clean critical assemblies containing Oy, Ta, and Mo as well as one of the NCA compositions were reanalyzed using the corrected cross sections. In all cases the eigenvalues were significantly improved and were recomputed to within 1 percent of the experimental eigenvalue. A comparable procedure may be used for ENDF cross sections when these are available.

Single and double capture in F9+ + Ar collisions: Comparison of total capture with capture occurring from the Ar K shell

NASA Astrophysics Data System (ADS)

La Mantia, David; Kumara, Nuwan; Kayani, Asghar; Simon, Anna; Tanis, John

2016-05-01

Total cross sections for single and double capture, as well as the corresponding cross sections for capture resulting in the emission of an Ar K x ray, were measured. This work was performed at Western Michigan University with the use of the tandem Van de Graaff accelerator. A 45 MeV beam of fully-stripped fluorine ions was collided with argon gas molecules in a differentially pumped cell. Surface barrier detectors were used to observe the charge changed projectiles and a Si(Li) x-ray detector, placed at 90o to the incident beam, were used to measure coincidences with Ar K x rays. The total capture cross sections are compared to previously measured cross sections in the existing literature. The coincidence cross sections, considerably smaller than the total cross sections, are found to be nearly equal for single and double capture in contrast to the total cross sections, which vary by about an order of magnitude. Possible reasons for this behavior are discussed. Supported in part by the NSF.

On the correlation of absorption cross-section with plasmonic color generation.

PubMed

Rezaei, Soroosh Daqiqeh; Ho, Jinfa; Ng, Ray Jia Hong; Ramakrishna, Seeram; Yang, Joel K W

2017-10-30

Through numerical simulations, we investigate the correlation between the absorption cross-section and the color saturation of plasmonic nanostructures of varying density. Understanding this correlation, enables the prediction of an optimal nanostructure separation, or combinations of different nanostructure sizes for plasmonic color printing applications. Here, we use metal-insulator-metal (MIM) aluminum nanostructures that support gap-plasmons. Large absorption cross-sections were observed that exceed twelve times the physical cross-section of the nanostructure disks. We derive a set of equations to determine the optimal separation for a periodic array using the absorption cross-section of an individual structure to realize saturated colors. Using the optimum pitch and enabled by the large absorption cross-sections of our structures, we employ color mixing strategies to realize a wider color gamut. The simulated color gamut exceeds the sRGB gamut for some colors, and includes dark tones. Color mixing using structures with large absorption cross-sections is a practical approach to generate a broad range of colors, in comparison to fabricating structures with continuously varying sizes.

Shell-model computed cross sections for charged-current scattering of astrophysical neutrinos off 40Ar

NASA Astrophysics Data System (ADS)

Kostensalo, Joel; Suhonen, Jouni; Zuber, K.

2018-03-01

Charged-current (anti)neutrino-40Ar cross sections for astrophysical neutrinos have been calculated. The initial and final nuclear states were calculated using the nuclear shell model. The folded solar-neutrino scattering cross section was found to be 1.78 (23 ) ×10-42cm2 , which is higher than what the previous papers have reported. The contributions from the 1- and 2- multipoles were found to be significant at supernova-neutrino energies, confirming the random-phase approximation (RPA) result of a previous study. The effects of neutrino flavor conversions in dense stellar matter (matter oscillations) were found to enhance the neutrino-scattering cross sections significantly for both the normal and inverted mass hierarchies. For the antineutrino scattering, only a small difference between the nonoscillating and inverted-hierarchy cross sections was found, while the normal-hierarchy cross section was 2-3 times larger than that of the nonoscillating cross section, depending on the adopted parametrization of the Fermi-Dirac distribution. This property of the supernova-antineutrino signal could probably be used to distinguish between the two hierarchies in megaton LAr detectors.

[Design of cross-sectional anatomical model focused on drainage pathways of paranasal sinuses].

PubMed

Zha, Y; Lv, W; Gao, Y L; Zhu, Z Z; Gao, Z Q

2018-05-01

Objective: To design and produce cross-sectional anatomical models of paranasal sinuses for the purpose of demonstrating drainage pathways of each nasal sinus for the young doctors. Method: We reconstructed the three-dimensional model of sinuses area based on CT scan data, and divided it into 5 thick cross-sectional anatomy models by 4 coronal plane，which cross middle points of agger nasi cell, ethmoid bulla, posterior ethmoid sinuses and sphenoid sinus respectively. Then a 3D printerwas used to make anatomical cross-sectional anatomical models. Result: Successfully produced a digital 3D printing cross-sectional models of paranasal sinuses. Sinus drainage pathways were observed on the models. Conclusion: The cross-sectional anatomical models made by us can exactly and intuitively demonstrate the ostia of each sinus cell and they can help the young doctors to understand and master the key anatomies and relationships which are important to the endoscopic sinus surgery. Copyright© by the Editorial Department of Journal of Clinical Otorhinolaryngology Head and Neck Surgery.

Determining the partial photoionization cross-sections of ethyl radicals.

PubMed

FitzPatrick, B L; Maienschein-Cline, M; Butler, L J; Lee, S-H; Lin, J J

2007-12-13

Using a crossed laser-molecular beam scattering apparatus, these experiments photodissociate ethyl chloride at 193 nm and detect the Cl and ethyl products, resolved by their center-of-mass recoil velocities, with vacuum ultraviolet photoionization. The data determine the relative partial cross-sections for the photoionization of ethyl radicals to form C2H5+, C2H4+, and C2H3+ at 12.1 and 13.8 eV. The data also determine the internal energy distribution of the ethyl radical prior to photoionization, so we can assess the internal energy dependence of the photoionization cross-sections. The results show that the C2H4++H and C2H3++H2 dissociative photoionization cross-sections strongly depend on the photoionization energy. Calibrating the ethyl radical partial photoionization cross-sections relative to the bandwidth-averaged photoionization cross-section of Cl atoms near 13.8 eV allows us to use these data in conjunction with literature estimates of the Cl atom photoionization cross-sections to put the present bandwidth-averaged cross-sections on an absolute scale. The resulting bandwidth-averaged cross-section for the photoionization of ethyl radicals to C2H5+ near 13.8 eV is 8+/-2 Mb. Comparison of our 12.1 eV data with high-resolution ethyl radical photoionization spectra allows us to roughly put the high-resolution spectrum on the same absolute scale. Thus, one obtains the photoionization cross-section of ethyl radicals to C2H5+ from threshold to 12.1 eV. The data show that the onset of the C2H4++H dissociative photoionization channel is above 12.1 eV; this result offers a simple way to determine whether the signal observed in photoionization experiments on complex mixtures is due to ethyl radicals. We discuss an application of the results for resolving the product branching in the O+allyl bimolecular reaction.

Research on the Cross Section Precision of High-strength Steel Tube with Rectangular Section in Rotary Draw Bending

NASA Astrophysics Data System (ADS)

Yang, Hongliang; Zhao, Hao; Xing, Zhongwen

2017-11-01

For the demand of energy conservation and security improvement, high-strength steel (HSS) is increasingly being used to produce safety related automotive components. However, cross-section distortion occurs easily in bending of HSS tube with rectangular section (RS), affecting the forming precision. HSS BR1500HS tube by rotary draw bending is taken as the study object and a description method of cross-section distortion is proposed in this paper. The influence on cross-section precision of geometric parameters including cross-section position, thickness of tube, bend radius etc. are studied by experiment. Besides, simulation of the rotary draw bending of HSS tube with rectangular section by ABAQUS are carried out and compared to the experiment. The results by simulation agree well with the experiment and show that the cross-section is approximately trapezoidal after distortion; the maximum of distortion exists at 45 ∼ 60° of the bending direction; and the absolute and relative distortion values increase with the decreasing of tube thickness or bending radius. Therefore, the results can provide a reference for the design of geometric parameters of HSS tube with rectangular section in rotary draw bending.

Interpretive geologic cross sections for the Death Valley regional flow system and surrounding areas, Nevada and California

USGS Publications Warehouse

Sweetkind, D.S.; Dickerson, R.P.; Blakely, R.J.; Denning, Paul

2001-01-01

This report presents a network of 28 geologic cross sections that portray subsurface geologic relations within the Death Valley regional ground-water system, a ground-water basin that encompasses a 3? x 3? area (approximately 70,000 km2) in southern Nevada and eastern California. The cross sections transect that part of the southern Great Basin that includes Death Valley, the Nevada Test Site, and the potential high-level nuclear waste underground repository at Yucca Mountain. The specific geometric relationships portrayed on the cross sections are discussed in the context of four general sub-regions that have stratigraphic similarities and general consistency of structural style: (1) the Nevada Test Site vicinity; (2) the Spring Mountains, Pahrump Valley and Amargosa Desert region; (3) the Death Valley region; and (4) the area east of the Nevada Test Site. The subsurface geologic interpretations portrayed on the cross sections are based on an integration of existing geologic maps, measured stratigraphic sections, published cross sections, well data, and geophysical data and interpretations. The estimated top of pre-Cenozoic rocks in the cross sections is based on inversion of gravity data, but the deeper parts of the sections are based on geologic conceptual models and are more speculative. The region transected by the cross sections includes part of the southern Basin and Range Province, the northwest-trending Walker Lane belt, the Death Valley region, and the northern Mojave Desert. The region is structurally complex, where a locally thick Tertiary volcanic and sedimentary section unconformably overlies previously deformed Proterozoic through Paleozoic rocks. All of these rocks have been deformed by complex Neogene ex-tensional normal and strike-slip faults. These cross sections form a three-dimensional network that portrays the interpreted stratigraphic and structural relations in the region; the sections form part of the geologic framework that will be incorporated in a complex numerical model of ground-water flow in the Death Valley region.

Morphology of Mesiobuccal Root Canals of Maxillary First Molars: a comparison of CBCT scanning and Cross-sectioning.

PubMed

Lyra, Carina Maria; Delai, Débora; Pereira, Keila Cristina Rausch; Pereira, Guy Martins; Pasternak Júnior, Bráulio; Oliveira, César Augusto Pereira

2015-10-01

The aim of this study was to evaluate the mesiobuccal root of maxillary first molars, according to the root canal configuration, prevalence and location of isthmuses at 3 and 6 mm from the apex, comparing cone-beam computed tomography (CBCT) analysis and cross sectioning of roots by thirds. Images of the mesiobuccal root of 100 maxillary first molars were acquired by CBCT and then roots were cross-sectioned into two parts, starting at 3 mm from the apex. Data were recorded and analyzed according to Weine's classification for root canal configuration, and Hsu and Kim's classification for isthmuses. In the analysis of CBCT images, 8 root canals were classified as type I, 57 as type II, 35 as type III. In the cross-sectioning technique, 19 root canals were classified as type I, 60 as type II, 20 as type III and 1 as type IV. The classification of isthmuses was predominantly type I in both CBCT and cross-sectioning evaluations for sections at 3 mm from the apex, while for sections at 6 mm from the apex, the classification of isthmuses was predominantly types V and II in CBCT and cross-sectioning evaluations, respectively. The cross-sectioning technique showed better results in detection of the internal morphology of root canals than CBCT scanning.

Generation of Collapsed Cross Sections for Hatch 1 Cycles 1-3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ade, Brian J

2012-11-01

Under NRC JCN V6361, Oak Ridge National Laboratory (ORNL) was tasked to develop and run SCALE/TRITON models for generation of collapsed few-group cross sections and to convert the cross sections to PMAXS format using the GENPMAXS conversion utility for use in PARCS/PATHS simulations of Hatch Unit 1, cycles 1-3. This letter report documents the final models used to produce the Hatch collapsed cross sections.

Bodies with noncircular cross sections and bank-to-turn missiles

NASA Technical Reports Server (NTRS)

Jackson, C. M., Jr.; Sawyer, W. C.

1992-01-01

A development status evaluation is presented for the aerodynamics of missile configurations with noncircular cross-sections and bank-to-turn maneuvering systems, giving attention to cases with elliptical and square cross-sections, as well as bodies with variable cross-sections. The assessment of bank-to-turn missile performance notes inherent stability/control problems. A summary and index are provided for aerodynamic data on monoplanar configurations, including those which incorporate airbreathing propulsion systems.

Measurement of the inclusive jet cross section at the CERN pp collider

NASA Astrophysics Data System (ADS)

Arnison, G.; Albrow, M. G.; Allkofer, O. C.; Astbury, A.; Aubert, B.; Bacci, C.; Batley, J. R.; Bauer, G.; Bettini, A.; Bézaguet, A.; Bock, R. K.; Bos, K.; Buckley, E.; Bunn, J.; Busetto, G.; Catz, P.; Cennini, P.; Centro, S.; Ceradini, F.; Ciapetti, G.; Cittolin, S.; Clarke, D.; Cline, D.; Cochet, C.; Colas, J.; Colas, P.; Corden, M.; Cox, G.; Dallman, D.; Dau, D.; Debeer, M.; Debrion, J. P.; Degiorgi, M.; della Negra, M.; Demoulin, M.; Denby, B.; Denegri, D.; Diciaccio, A.; Dobrzynski, L.; Dorenbosch, J.; Dowell, J. D.; Duchovni, E.; Edgecock, R.; Eggert, K.; Eisenhandler, E.; Ellis, N.; Erhard, P.; Faissner, H.; Fince Keeler, M.; Flynn, P.; Fontaine, G.; Frey, R.; Frühwirth, R.; Garvey, J.; Gee, D.; Geer, S.; Ghesquière, C.; Ghez, P.; Ghio, F.; Giacomelli, P.; Gibson, W. R.; Giraud-Héraud, Y.; Givernaud, A.; Gonidec, A.; Goodman, M.; Grassmann, H.; Grayer, G.; Guryn, W.; Hansl-Kozanecka, T.; Haynes, W.; Haywood, S. J.; Hoffmann, H.; Holthuizen, D. J.; Homer, R. J.; Homer, R. J.; Honma, A.; Jank, W.; Jimack, M.; Jorat, G.; Kalmus, P. I. P.; Karimäri, V.; Keeler, R.; Kenyon, I.; Kernan, A.; Kienzle, W.; Kinnunen, R.; Kozanecki, W.; Kroll, J.; Kryn, D.; Kyberd, P.; Lacava, F.; Laugier, J. P.; Lees, J. P.; Leuchs, R.; Levegrun, S.; Lévêque, A.; Levi, M.; Linglin, D.; Locci, E.; Long, K.; Markiewicz, T.; Markytan, M.; Martin, T.; Maurin, F.; McMahon, T.; Mendiburu, J.-P.; Meneguzzo, A.; Meyer, O.; Meyer, T.; Minard, M.-N.; Mohammadi, M.; Morgan, K.; Moricca, M.; Moser, H.; Mours, B.; Muller, Th.; Nandi, A.; Naumann, L.; Norton, A.; Paoluzi, L.; Pascoli, D.; Pauss, F.; Perault, C.; Piano Mortari, G.; Pietarinen, E.; Pigot, C.; Pimiä, M.; Pitman, D.; Placci, A.; Porte, J.-P.; Radermacher, E.; Ransdell, J.; Redelberger, T.; Reithler, H.; Revol, J. P.; Richman, J.; Rijssenbeek, M.; Rohlf, J.; Rossi, P.; Roberts, C.; Ruhm, W.; Rubbia, C.; Sajot, G.; Salvini, G.; Sass, J.; Sadoulet, B.; Samyn, D.; Savoy-Navarro, A.; Schinzel, D.; Schwartz, A.; Scott, W.; Scott, W.; Shah, T. P.; Sheer, I.; Siotis, I.; Smith, D.; Sobie, R.; Sphicas, P.; Strauss, J.; Streets, J.; Stubenrauch, C.; Summers, D.; Sumorok, K.; Szonczo, F.; Tao, C.; Ten Have, I.; Thompson, G.; Tscheslog, E.; Tuominiemi, J.; van Eijk, B.; Verecchia, P.; Vialle, J. P.; Virdee, T. S.; von der Schmitt, H.; von Schlippe, W.; Vrana, J.; Vuillemin, V.; Wahl, H. D.; Watkins, P.; Wilke, R.; Wilson, J.; Wingerter, I.; Wimpenny, S. J.; Wulz, C.-E.; Wyatt, T.; Yvert, M.; Zacharov, I.; Zaganidis, N.; Zanello, L.; Zotto, P.

1986-05-01

The inclusive jet cross section has been measured in the UA1 experiment at the CERN pp Collider at centre-of-mass energies √s = 546 GeV and √s = 630 eV. The cross sections are found to be consistent with QCD predictions, The observed change in the cross section with the centre-of-mass energy √s is accounted for in terms of xT scaling.

Projectile and Lab Frame Differential Cross Sections for Electromagnetic Dissociation

NASA Technical Reports Server (NTRS)

Norbury, John W.; Adamczyk, Anne; Dick, Frank

2008-01-01

Differential cross sections for electromagnetic dissociation in nuclear collisions are calculated for the first time. In order to be useful for three - dimensional transport codes, these cross sections have been calculated in both the projectile and lab frames. The formulas for these cross sections are such that they can be immediately used in space radiation transport codes. Only a limited amount of data exists, but the comparison between theory and experiment is good.

Asymptotic form for the cross section for the Coulomb interacting rearrangement collisions

NASA Technical Reports Server (NTRS)

Omidvar, K.

1973-01-01

It is shown that in a rearrangement collision leading to the formation of the highly excited hydrogenlike states the cross section in all orders of the Born approximation behaves as 1/n sq, with n the principal quantum number, thus invalidating the Brinkman-Kramers approximation for large n. Similarly, in high energy inelastic electron-hydrogenlike atom collisions the exchange cross section for sufficiently large n dominates the direct excitation cross section.

Fe L-shell Excitation Cross Section Measurements on EBIT-I

NASA Astrophysics Data System (ADS)

Chen, Hui; Beiersdorfer, P.; Brown, G.; Boyce, K.; Kelley, R.; Kilbourne, C.; Porter, F.; Gu, M. F.; Kahn, S.

2006-09-01

We report the measurement of electron impact excitation cross sections for the strong iron L-shell 3-2 lines of Fe XVII to Fe XXIV at the LLNL EBIT-I electron beam ion trap using a crystal spectrometer and NASA-Goddard Space Flight Center's 6x6 pixel array microcalorimeter. The cross sections were determined by direct normalization to the well-established cross sections for radiative electron capture. Our results include the excitation cross section for over 50 lines at multiple electron energies. Although we have found that for 3C line in Fe XVII the measured cross sections differ significantly from theory, in most cases the measurements and theory agree within 20%. This work was performed under the auspices of the U.S. DOE by LLNL under contract No. W-7405-Eng-48 and supported by NASA APRA grants to LLNL, GSFC, and Stanford University.

Higgs boson production at hadron colliders at N3LO in QCD

NASA Astrophysics Data System (ADS)

Mistlberger, Bernhard

2018-05-01

We present the Higgs boson production cross section at Hadron colliders in the gluon fusion production mode through N3LO in perturbative QCD. Specifically, we work in an effective theory where the top quark is assumed to be infinitely heavy and all other quarks are considered to be massless. Our result is the first exact formula for a partonic hadron collider cross section at N3LO in perturbative QCD. Furthermore, our result is an analytic computation of a hadron collider cross section involving elliptic integrals. We derive numerical predictions for the Higgs boson cross section at the LHC. Previously this result was approximated by an expansion of the cross section around the production threshold of the Higgs boson and we compare our findings. Finally, we study the impact of our new result on the state of the art prediction for the Higgs boson cross section at the LHC.

Studies of electron-molecule collisions - Applications to e-H2O

NASA Technical Reports Server (NTRS)

Brescansin, L. M.; Lima, M. A. P.; Gibson, T. L.; Mckoy, V.; Huo, W. M.

1986-01-01

Elastic differential and momentum transfer cross sections for the elastic scattering of electrons by H2O are reported for collision energies from 2 to 20 eV. These fixed-nuclei static-exchange cross sections were obtained using the Schwinger variational approach. In these studies the exchange potential is directly evaluated and not approximated by local models. The calculated differential cross sections, obtained with a basis set expansion of the scattering wave function, agree well with available experimental data at intermediate and larger angles. As used here, the results cannot adequately describe the divergent cross sections at small angles. An interesting feature of the calculated cross sections, particularly at 15 and 20 eV, is their significant backward peaking. This peaking occurs in the experimentally inaccessible region beyond a scattering angle of 120 deg. The implication of this feature for the determination of momentum transfer cross sections is described.

Cross section data sets for electron collisions with H2, O2, CO, CO2, N2O and H2O

NASA Astrophysics Data System (ADS)

Anzai, K.; Kato, H.; Hoshino, M.; Tanaka, H.; Itikawa, Y.; Campbell, L.; Brunger, M. J.; Buckman, S. J.; Cho, H.; Blanco, F.; Garcia, G.; Limão-Vieira, P.; Ingólfsson, O.

2012-02-01

We review earlier cross section data sets for electron-collisions with H2, O2, CO, CO2, H2O and N2O, updated here by experimental results for their electronic states. Based on our recent measurements of differential cross sections for the electronic states of those molecules, integral cross sections (ICSs) are derived by applying a generalized oscillator strength analysis and then assessed against theory (BE f-scaling [Y.-K. Kim, J. Chem. Phys. 126, 064305 (2007)]). As they now represent benchmark electronic state cross sections, those ICSs for the above molecules are added into the original cross section sets taken from the data reviews for H2, O2, CO2 and H2O (the Itikawa group), and for CO and N2O (the Zecca group).

Heavy fragment production cross sections from 1.05 GeV/nucleon 56Fe in C, Al, Cu, Pb, and CH2 targets

NASA Technical Reports Server (NTRS)

Zeitlin, C.; Heilbronn, L.; Miller, J.; Rademacher, S. E.; Borak, T.; Carter, T. R.; Frankel, K. A.; Schimmerling, W.; Stronach, C. E.; Chatterjee, A. (Principal Investigator)

1997-01-01

We have obtained charge-changing cross sections and partial cross sections for fragmentation of 1.05 GeV/nucleon Fe projectiles incident on H, C, Al, Cu, and Pb nuclei. The energy region covered by this experiment is critical for an understanding of galactic cosmic ray propagation and space radiation biophysics. Surviving primary beam particles and fragments with charges from 12 to 25 produced within a forward cone of half-angle 61 mrad were detected using a silicon detector telescope to identify their charge and the cross sections were calculated after correction of the measured yields for finite target thickness effects. The cross sections are compared to model calculations and to previous measurements. Cross sections for the production of fragments with even-numbered nuclear charges are seen to be enhanced in almost all cases.

Activation cross section and isomeric cross section ratios for the (n ,2 n ) reaction on 153Eu

NASA Astrophysics Data System (ADS)

Luo, Junhua; Jiang, Li; Li, Suyuan

2017-10-01

The 153Eu(n ,2 n ) m1,m2,g152Eu cross section was measured by means of the activation technique at three neutron energies in the range 13-15 MeV. The quasimonoenergetic neutron beam was formed via the 3H(d ,n ) 4He reaction, in the Pd-300 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The cross section of the population of the second high-spin (8-) isomeric state was measured along with the reaction cross section populating both the ground (3-) and the first isomeric state (0-). Cross sections were also evaluated theoretically using the numerical code TALYS-1.8, with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Progress on China nuclear data processing code system

NASA Astrophysics Data System (ADS)

Liu, Ping; Wu, Xiaofei; Ge, Zhigang; Li, Songyang; Wu, Haicheng; Wen, Lili; Wang, Wenming; Zhang, Huanyu

2017-09-01

China is developing the nuclear data processing code Ruler, which can be used for producing multi-group cross sections and related quantities from evaluated nuclear data in the ENDF format [1]. The Ruler includes modules for reconstructing cross sections in all energy range, generating Doppler-broadened cross sections for given temperature, producing effective self-shielded cross sections in unresolved energy range, calculating scattering cross sections in thermal energy range, generating group cross sections and matrices, preparing WIMS-D format data files for the reactor physics code WIMS-D [2]. Programming language of the Ruler is Fortran-90. The Ruler is tested for 32-bit computers with Windows-XP and Linux operating systems. The verification of Ruler has been performed by comparison with calculation results obtained by the NJOY99 [3] processing code. The validation of Ruler has been performed by using WIMSD5B code.

Electron-induced scattering dynamics of Boron, Aluminium and Gallium trihalides in the intermediate energy domain

NASA Astrophysics Data System (ADS)

Verma, Pankaj; Alam, Mohammad Jane; Ahmad, Shabbir; Antony, Bobby

2018-05-01

This article is focused on the calculation of electron-induced ionisation and total scattering cross sections by Boron, Aluminium and Gallium trihalide molecules in the intermediate energy domain. The computational formalism, spherical complex optical potential has been employed for the study of these two scattering cross sections. The ionisation cross section has been derived from the inelastic cross section using a semi-empirical method called complex scattering potential-ionisation contribution (CSP-ic) method. We have also calculated the ionisation cross section using the BEB theory with Hartree-Fock and density functional theory (DFT- ωB97XD) orbitals so that a comparison can be made with the cross sections predicted by CSP-ic method. For this theoretical study, we have also calculated polarisability and bond length of some targets which were not found in literature using DFT/B3LYP in Gaussian 09 software.

Medium modified two-body scattering amplitude from proton-nucleus total cross-sections

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, J. W.; Cucinotta, F. A.

2001-01-01

Recently (R.K. Tripathi, J.W. Wilson, F.A. Cucinotta, Nucl. Instr. and Meth. B 145 (1998) 277; R.K. Tripathi, F.A. Cucinotta, J.W. Wilson, NASA-TP-1998-208438), we have extracted nucleon-nucleon (N-N) cross-sections in the medium directly from experiment. The in-medium N-N cross-sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the NASA Langley Research Center. Here, we investigate the ratio of real to imaginary part of the two-body scattering amplitude in the medium. These ratios are used in combination with the in-medium N-N cross-sections to calculate total proton-nucleus cross-sections. The agreement is excellent with the available experimental data. These cross-sections are needed for the radiation risk assessment of space missions. c2001 Elsevier Science B.V. All rights reserved.

Interactions of relativistic neon to nickel projectiles in hydrogen, elemental production cross sections

NASA Astrophysics Data System (ADS)

Knott, C. N.; Albergo, S.; Caccia, Z.; Chen, C.-X.; Costa, S.; Crawford, H. J.; Cronqvist, M.; Engelage, J.; Ferrando, P.; Fonte, R.; Greiner, L.; Guzik, T. G.; Insolia, A.; Jones, F. C.; Lindstrom, P. J.; Mitchell, J. W.; Potenza, R.; Romanski, J.; Russo, G. V.; Soutoul, A.; Testard, O.; Tull, C. E.; Tuvé, C.; Waddington, C. J.; Webber, W. R.; Wefel, J. P.

1996-01-01

This paper reports the elemental production cross sections for 17 projectile-energy combinations with energies between 338 and 894 MeV/nucleon interacting in a liquid hydrogen target. These results were obtained from two runs at the LBL Bevalac using projectiles ranging from 22Ne to 58Ni. Cross sections were measured for all fragment elements with charges greater than or equal to half the charge of the projectile. The results show that, over the energy and ion range investigated, the general decrease in cross section with decreasing fragment charge is strongly modified by the isospin of the projectile ion. Significant additional modifications of the cross sections due to the internal structure of the nucleus have also been seen. These include both pairing and shell effects. Differences in the cross sections due to the differing energies of the projectile are also considerable.

242Pu absolute neutron-capture cross section measurement

NASA Astrophysics Data System (ADS)

Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; Bucher, B.; Chyzh, A.; Bredeweg, T. A.; Baramsai, B.; Couture, A.; Jandel, M.; Mosby, S.; O'Donnell, J. M.; Ullmann, J. L.

2017-09-01

The absolute neutron-capture cross section of 242Pu was measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. During target fabrication, a small amount of 239Pu was added to the active target so that the absolute scale of the 242Pu(n,γ) cross section could be set according to the known 239Pu(n,f) resonance at En,R = 7.83 eV. The relative scale of the 242Pu(n,γ) cross section covers four orders of magnitude for incident neutron energies from thermal to ≈ 40 keV. The cross section reported in ENDF/B-VII.1 for the 242Pu(n,γ) En,R = 2.68 eV resonance was found to be 2.4% lower than the new absolute 242Pu(n,γ) cross section.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vonach, H.; Tagesen, S.

Starting with a discussion of the requirements and goals for high quality general-purpose evaluations the paper will describe the procedures chosen in our evaluation work for JEFF for producing new general evaluations with complete covariance information for all cross sections (file 3 data). Key problems essential for the goal of making the best possible use of the existing theoretical and experimental knowledge on neutron interactions with the respective nuclide will be addressed, especially the problem of assigning covariances to calculated cross sections, necessary checking procedures for all experimental data and various possibilities to amend the experimental database beyond the obviousmore » use of EXFOR data for the respective cross sections. In this respect both, the use of elemental cross sections in isotopic evaluations and the use of implicit cross-section data (that is data which can be converted into cross sections by simple methods) will be discussed in some detail.« less

Communication: Electron ionization of DNA bases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahman, M. A.; Krishnakumar, E., E-mail: ekkumar@tifr.res.in

2016-04-28

No reliable experimental data exist for the partial and total electron ionization cross sections for DNA bases, which are very crucial for modeling radiation damage in genetic material of living cell. We have measured a complete set of absolute partial electron ionization cross sections up to 500 eV for DNA bases for the first time by using the relative flow technique. These partial cross sections are summed to obtain total ion cross sections for all the four bases and are compared with the existing theoretical calculations and the only set of measured absolute cross sections. Our measurements clearly resolve themore » existing discrepancy between the theoretical and experimental results, thereby providing for the first time reliable numbers for partial and total ion cross sections for these molecules. The results on fragmentation analysis of adenine supports the theory of its formation in space.« less

Low- ν Flux and Total Charged-current Cross Sections in MINERvA

NASA Astrophysics Data System (ADS)

Ren, Lu

2014-03-01

The MINER νA experiment measures neutrino and antineutrino interaction cross sections on carbon and other nuclei. Cross section measurements require accurate knowledge of the incident neutrino flux. The ``low- ν'' flux technique uses a standard-candle cross section for events with low energy transfer to to the hadronic system to determine the incident flux. MINER νA will use low- ν fluxes for neutrinos and antineutrinos to tune production models used in beam simulations and to extract total cross sections as a function of energy. We present the low- ν flux technique adapted for the MINER νA data samples and preliminary results for the extracted low- ν fluxes in MINER νA. MINER νA will extend the range of antineutino charged-current cross section measurements to lower energies which are of interest to future accelerator oscillation experiments.

α-induced reaction cross sections in the mass range A ≈ 20 - 50: a critical review

NASA Astrophysics Data System (ADS)

Mohr, Peter

2018-01-01

In a recent review it was shown that the cross sections of α-induced reactions in the A ≈ 20 - 50 mass range follow a general and smooth trend in most cases. For comparison of cross sections of different targets at various energies the method of reduced cross sections σ red and reduced energies E red was used. Four outliers were identified: 36Ar and 40Ar with unusal small cross sections and 23Na and 33S with unusual huge cross sections. New data for 23Na were presented at this NPA-7 conference; contrary to the previous data, these new data fit into the general systematics. In addition, a relation between the most effective energy E 0 for astrophysical reaction rates (the so-called Gamow window) and the reduced energy E red is presented.

Effect of wave function on the proton induced L XRP cross sections for {sub 62}Sm and {sub 74}W

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shehla,; Kaur, Rajnish; Kumar, Anil

The L{sub k}(k= 1, α, β, γ) X-ray production cross sections have been calculated for {sub 74}W and {sub 62}Sm at different incident proton energies ranging 1-5 MeV using theoretical data sets of different physical parameters, namely, the Li(i=1-3) sub-shell X-ray emission rates based on the Dirac-Fork (DF) model, the fluorescence and Coster Kronig yields based on the Dirac- Hartree-Slater (DHS) model and two sets the proton ionization cross sections based on the DHS model and the ECPSSR in order to assess the influence of the wave function on the XRP cross sections. The calculated cross sections have been compared withmore » the measured cross sections reported in the recent compilation to check the reliability of the calculated values.« less

Geologic Cross Section I–I′ Through the Appalachian Basin from the Eastern Margin of the Illinois Basin, Jefferson County, Kentucky, to the Valley and Ridge Province, Scott County, Virginia

USGS Publications Warehouse

Ryder, Robert T.; Trippi, Michael H.; Swezey, Christopher S.

2015-12-08

Cross section I‒I ’ contains much information that is useful for evaluating energy resources in the Appalachian basin. Many of the key elements of the Appalachian basin petroleum systems (such as source rocks, reservoir rocks, seals, and traps) can be inferred from lithologic units, unconformities, and geologic structures shown on the cross section. Other aspects of petroleum systems (such as the timing of petroleum generation and petroleum migration pathways) may be evaluated by burial history, thermal history, and fluid flow models on the basis of what is shown on the cross section. Cross section I‒I’ also provides a stratigraphic and structural framework for the Pennsylvanian coal-bearing section. In addition, geologists and engineers could use cross section I‒I’ as a reconnaissance tool to identify plausible geologic structures and strata for the subsurface storage of liquid waste or for the sequestration of carbon dioxide.

Validity of Hansen-Roach cross sections in low-enriched uranium systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Busch, R.D.; O'Dell, R.D.

Within the nuclear criticality safety community, the Hansen-Roach 16 group cross section set has been the standard'' for use in k{sub eff} calculations over the past 30 years. Yet even with its widespread acceptance, there are still questions about its validity and adequacy, about the proper procedure for calculating the potential scattering cross section, {sigma}{sub p}, for uranium and plutonium, and about the concept of resonance self shielding and its impact on cross sections. This paper attempts to address these questions. It provides a brief background on the Hansen-Roach cross sections. Next is presented a review of resonances in crossmore » sections, self shielding of these resonances, and the use of {sigma}{sub p} to characterize resonance self shielding. Three prescriptions for calculating {sigma}{sub p} are given. Finally, results of several calculations of k{sub eff} on low-enriched uranium systems are provided to confirm the validity of the Hansen-Roach cross sections when applied to such systems.« less

Automated Cross-Sectional Measurement Method of Intracranial Dural Venous Sinuses.

PubMed

Lublinsky, S; Friedman, A; Kesler, A; Zur, D; Anconina, R; Shelef, I

2016-03-01

MRV is an important blood vessel imaging and diagnostic tool for the evaluation of stenosis, occlusions, or aneurysms. However, an accurate image-processing tool for vessel comparison is unavailable. The purpose of this study was to develop and test an automated technique for vessel cross-sectional analysis. An algorithm for vessel cross-sectional analysis was developed that included 7 main steps: 1) image registration, 2) masking, 3) segmentation, 4) skeletonization, 5) cross-sectional planes, 6) clustering, and 7) cross-sectional analysis. Phantom models were used to validate the technique. The method was also tested on a control subject and a patient with idiopathic intracranial hypertension (4 large sinuses tested: right and left transverse sinuses, superior sagittal sinus, and straight sinus). The cross-sectional area and shape measurements were evaluated before and after lumbar puncture in patients with idiopathic intracranial hypertension. The vessel-analysis algorithm had a high degree of stability with <3% of cross-sections manually corrected. All investigated principal cranial blood sinuses had a significant cross-sectional area increase after lumbar puncture (P ≤ .05). The average triangularity of the transverse sinuses was increased, and the mean circularity of the sinuses was decreased by 6% ± 12% after lumbar puncture. Comparison of phantom and real data showed that all computed errors were <1 voxel unit, which confirmed that the method provided a very accurate solution. In this article, we present a novel automated imaging method for cross-sectional vessels analysis. The method can provide an efficient quantitative detection of abnormalities in the dural sinuses. © 2016 by American Journal of Neuroradiology.

A computational study on the influence of insect wing geometry on bee flight mechanics

PubMed Central

Feaster, Jeffrey; Bayandor, Javid

2017-01-01

ABSTRACT Two-dimensional computational fluid dynamics (CFD) is applied to better understand the effects of wing cross-sectional morphology on flow field and force production. This study investigates the influence of wing cross-section on insect scale flapping flight performance, for the first time, using a morphologically representative model of a bee (Bombus pensylvanicus) wing. The bee wing cross-section was determined using a micro-computed tomography scanner. The results of the bee wing are compared with flat and elliptical cross-sections, representative of those used in modern literature, to determine the impact of profile variation on aerodynamic performance. The flow field surrounding each cross-section and the resulting forces are resolved using CFD for a flight speed range of 1 to 5 m/s. A significant variation in vortex formation is found when comparing the ellipse and flat plate with the true bee wing. During the upstroke, the bee and approximate wing cross-sections have a much shorter wake structure than the flat plate or ellipse. During the downstroke, the flat plate and elliptical cross-sections generate a single leading edge vortex, while the approximate and bee wings generate numerous, smaller structures that are shed throughout the stroke. Comparing the instantaneous aerodynamic forces on the wing, the ellipse and flat plate sections deviate progressively with velocity from the true bee wing. Based on the present findings, a simplified cross-section of an insect wing can misrepresent the flow field and force production. We present the first aerodynamic study using a true insect wing cross-section and show that the wing corrugation increases the leading edge vortex formation frequency for a given set of kinematics. PMID:29061734

A computational study on the influence of insect wing geometry on bee flight mechanics.

PubMed

Feaster, Jeffrey; Battaglia, Francine; Bayandor, Javid

2017-12-15

Two-dimensional computational fluid dynamics (CFD) is applied to better understand the effects of wing cross-sectional morphology on flow field and force production. This study investigates the influence of wing cross-section on insect scale flapping flight performance, for the first time, using a morphologically representative model of a bee ( Bombus pensylvanicus ) wing. The bee wing cross-section was determined using a micro-computed tomography scanner. The results of the bee wing are compared with flat and elliptical cross-sections, representative of those used in modern literature, to determine the impact of profile variation on aerodynamic performance. The flow field surrounding each cross-section and the resulting forces are resolved using CFD for a flight speed range of 1 to 5 m/s. A significant variation in vortex formation is found when comparing the ellipse and flat plate with the true bee wing. During the upstroke, the bee and approximate wing cross-sections have a much shorter wake structure than the flat plate or ellipse. During the downstroke, the flat plate and elliptical cross-sections generate a single leading edge vortex, while the approximate and bee wings generate numerous, smaller structures that are shed throughout the stroke. Comparing the instantaneous aerodynamic forces on the wing, the ellipse and flat plate sections deviate progressively with velocity from the true bee wing. Based on the present findings, a simplified cross-section of an insect wing can misrepresent the flow field and force production. We present the first aerodynamic study using a true insect wing cross-section and show that the wing corrugation increases the leading edge vortex formation frequency for a given set of kinematics. © 2017. Published by The Company of Biologists Ltd.

A 23-GROUP NEUTRON THERMALIZATION CROSS SECTION LIBRARY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doctor, R.D.; Boling, M.A.

1963-07-15

A set of 23-group neutron cross sections for use in the calculation of neutron thermalization and thermal neutron spectral effects in SNAP reactors is compiled. The sources and methods used to obtain the cross sections are described. (auth)

An evaluation of the reliability of muscle fiber cross-sectional area and fiber number measurements in rat skeletal muscle

USDA-ARS?s Scientific Manuscript database

Background: The reliability of estimating muscle fiber cross-sectional area (measure of muscle fiber size) and fiber number from only a subset of fibers in rat hindlimb muscle cross-sections has not been systematically evaluated. This study examined the variability in mean estimates of fiber cross-s...

Simple, empirical approach to predict neutron capture cross sections from nuclear masses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Couture, Aaron Joseph; Casten, Richard F.; Cakirli, R. B.

Here, neutron capture cross sections are essential to understanding the astrophysical s and r processes, the modeling of nuclear reactor design and performance, and for a wide variety of nuclear forensics applications. Often, cross sections are needed for nuclei where experimental measurements are difficult. Enormous effort, over many decades, has gone into attempting to develop sophisticated statistical reaction models to predict these cross sections. Such work has met with some success but is often unable to reproduce measured cross sections to better than 40%, and has limited predictive power, with predictions from different models rapidly differing by an order ofmore » magnitude a few nucleons from the last measurement.« less

Simple, empirical approach to predict neutron capture cross sections from nuclear masses

DOE PAGES

Couture, Aaron Joseph; Casten, Richard F.; Cakirli, R. B.

2017-12-20

Here, neutron capture cross sections are essential to understanding the astrophysical s and r processes, the modeling of nuclear reactor design and performance, and for a wide variety of nuclear forensics applications. Often, cross sections are needed for nuclei where experimental measurements are difficult. Enormous effort, over many decades, has gone into attempting to develop sophisticated statistical reaction models to predict these cross sections. Such work has met with some success but is often unable to reproduce measured cross sections to better than 40%, and has limited predictive power, with predictions from different models rapidly differing by an order ofmore » magnitude a few nucleons from the last measurement.« less

Tables of nuclear cross sections for galactic cosmic rays: Absorption cross sections

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Wilson, J. W.

1985-01-01

A simple but comprehensive theory of nuclear reactions is presented. Extensive tables of nucleon, deuteron, and heavy-ion absorption cross sections over a broad range of energies are generated for use in cosmic ray shielding studies. Numerous comparisons of the calculated values with available experimental data show agreement to within 3 percent for energies above 80 MeV/nucleon and within approximately 10 percent for energies as low as 30 MeV/nucleon. These tables represent the culmination of the development of the absorption cross section formalism and supersede the preliminary absorption cross sections published previously in NASA TN D-8107, NASA TP-2138, and NASA TM-84636.

Eikonal approximation for proton-helium electron-capture processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobayashi, K.; Toshima, N.; Ishihara, T.

1985-09-01

We calculate the capture cross sections for H/sup +/+He..-->..H+He/sup +/, treating the passive electron explicitly in a distorted-wave formalism based on the eikonal approximation. It is found that the shape of the differential cross sections is influenced considerably by the interaction between the passive electron and the incident proton, while the integrated cross sections are much less sensitive to that. The differential cross section at 293 keV agrees well with the experimental data except at extremely small scattering angles. The forward peak is reproduced well at higher energies. The integrated cross sections are in excellent agreement with experiments for themore » incident energy above 250 keV.« less

Systematics of isotopic production cross sections from interactions of relativistic 40Ca in hydrogen

NASA Astrophysics Data System (ADS)

Chen, C.-X.; Albergo, S.; Caccia, Z.; Costa, S.; Crawford, H. J.; Cronqvist, M.; Engelage, J.; Greiner, L.; Guzik, T. G.; Insolia, A.; Knott, C. N.; Lindstrom, P. J.; McMahon, M.; Mitchell, J. W.; Potenza, R.; Russo, G. V.; Soutoul, A.; Testard, O.; Tull, C. E.; Tuvé, C.; Waddington, C. J.; Webber, W. R.; Wefel, J. P.

1997-09-01

The isotopic production cross sections for 40Ca projectiles at 357, 565, and 763 MeV/nucleon interacting in a liquid hydrogen target have been measured by the Transport Collaboration at the LBL HISS facility. The systematics of these cross sections are studied, and the results indicate that nuclear structure effects are present in the isotope production process during the relativistic collisions. The newly measured cross sections are also compared with those predicted by semiempirical and parametric formulas, but the predictions do not fully describe the systematics such as the energy dependence. The consequences of the cross section systematics in galactic cosmic ray studies are also discussed.

Experimental study of low-energy charge transfer in nitrogen

NASA Technical Reports Server (NTRS)

Smith, A.

1979-01-01

Total charge transfer cross sections were obtained for the N2(+)-N2 system with relative translational ion energies between 9 and 441 eV. Data were obtained to examine the dependence of total cross section on ion energy. The effect of ion excitation on the cross sections was studied by varying the electron ionization energy in the mass spectrometer ion source over an electron energy range between 14.5 and 32.1 eV. The dependence of total cross section on the neutralization chamber gas pressure was examined by obtaining data at pressure values from 9.9 to 0.000199 torr. Cross section values obtained were compared with experimental and theoretical results of other investigations.

Collisional Dynamics of the Rubidium 5(2)P Levels

DTIC Science & Technology

1995-08-01

prepare the rubidium sample. This work established the cross-section for He collisions and bounded the cross-sections for Ne and Ar. Krause (49...continued the work by improving the measurement of the cross-sections and by adding the cross-sections for Kr, Xe and Rb collision partners. Krause ...number density of ,-r 1010 per cm 3 . This is an order of magnitude lower than the concentration reported by Krause (49) to prevent self trapping

Temperature dependence of the ozone absorption cross section at the 253.7-nm mercury line

NASA Technical Reports Server (NTRS)

Barnes, J.; Mauersberger, K.

1987-01-01

The temperature dependence of the ozone absorption cross section at 253.7 nm has been measured between 195 and 351 K. The experimental technique employed circumvents the necessity to determine the absolute ozone concentration for each temperature measurement. Below 273 K the cross section increases approximately 0.6 percent, while toward higher temperatures the cross section decreases rapidly. In a comparison, good agreement with other recently made measurements is shown.

Reaction mechanisms in 12C(γ,pp) near 200 MeV

NASA Astrophysics Data System (ADS)

Hackett, E. D.; McDonald, W. J.; Opper, A. K.; Quraan, M. A.; Rodning, N. L.; Rozon, F. M.; Feldman, G.; Kolb, N. R.; Pywell, R. E.; Skopik, D. M.; Tiller, D. E.; Vogt, J. M.; Korkmaz, E.; O'rielly, G. V.

1996-03-01

Inclusive 12C(γ,pp) cross sections have been measured with tagged photons in the range Eγ=187-227 MeV using the Saskatchewan-Alberta Large Acceptance Detector (SALAD). The large angular acceptance allowed the measurement of noncoplanar pp emission. The cross sections were compared to a Monte Carlo intranuclear cascade calculation. Agreement was reasonable for the shapes of the cross sections but the calculated total cross section was 3.9 times larger than the data.

Handbook of LHC Higgs Cross Sections: 4. Deciphering the Nature of the Higgs Sector

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Florian, D.

This Report summarizes the results of the activities of the LHC Higgs Cross Section Working Group in the period 2014-2016. The main goal of the working group was to present the state-of-the-art of Higgs physics at the LHC, integrating all new results that have appeared in the last few years. The first part compiles the most up-to-date predictions of Higgs boson production cross sections and decay branching ratios, parton distribution functions, and off-shell Higgs boson production and interference effects. The second part discusses the recent progress in Higgs effective field theory predictions, followed by the third part on pseudo-observables, simplifiedmore » template cross section and fiducial cross section measurements, which give the baseline framework for Higgs boson property measurements. The fourth part deals with the beyond the Standard Model predictions of various benchmark scenarios of Minimal Supersymmetric Standard Model, extended scalar sector, Next-to-Minimal Supersymmetric Standard Model and exotic Higgs boson decays. This report follows three previous working-group reports: Handbook of LHC Higgs Cross Sections: 1. Inclusive Observables (CERN-2011-002), Handbook of LHC Higgs Cross Sections: 2. Differential Distributions (CERN-2012-002), and Handbook of LHC Higgs Cross Sections: 3. Higgs properties (CERN-2013-004). The current report serves as the baseline reference for Higgs physics in LHC Run 2 and beyond.« less

Improvement of one-nucleon removal and total reaction cross sections in the Liège intranuclear-cascade model using Hartree-Fock-Bogoliubov calculations

NASA Astrophysics Data System (ADS)

Rodríguez-Sánchez, Jose Luis; David, Jean-Christophe; Mancusi, Davide; Boudard, Alain; Cugnon, Joseph; Leray, Sylvie

2017-11-01

The prediction of one-nucleon-removal cross sections by the Liège intranuclear-cascade model has been improved using a refined description of the matter and energy densities in the nuclear surface. Hartree-Fock-Bogoliubov calculations with the Skyrme interaction are used to obtain a more realistic description of the radial-density distributions of protons and neutrons, as well as the excitation-energy uncorrelation at the nuclear surface due to quantum effects and short-range correlations. The results are compared with experimental data covering a large range of nuclei, from carbon to uranium, and projectile kinetic energies. We find that the new approach is in good agreement with experimental data of one-nucleon-removal cross sections covering a broad range in nuclei and energies. The new ingredients also improve the description of total reaction cross sections induced by protons at low energies, the production cross sections of heaviest residues close to the projectile, and the triple-differential cross sections for one-proton removal. However, other observables such as quadruple-differential cross sections of coincident protons do not present any sizable sensitivity to the new approach. Finally, the model is also tested for light-ion-induced reactions. It is shown that the new parameters can give a reasonable description of the nucleus-nucleus total reaction cross sections at high energies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Friedman, B.; DuCharme, G.

We present a semi-empirical scaling law for non-resonant ion–atom single charge exchange cross sections for collisions with velocities frommore » $${10}^{7}\\,{\\rm{t}}{\\rm{o}}\\,{10}^{9}\\,\\mathrm{cm}\\,{{\\rm{s}}}^{-1}$$ and ions with positive charge $$q\\lt 8$$. Non-resonant cross sections tend to have a velocity peak at collision velocities $$v\\lesssim 1\\ {\\rm{a}}{\\rm{u}}$$ with exponential decay around this peak. We construct a scaling formula for the location of this peak then choose a functional form for the cross section curve and scale it. The velocity at which the cross section peaks, v m, is proportional to the energy defect of the collision, $${\\rm{\\Delta }}E$$, which we predict with the decay approximation. The value of the cross section maximum is proportional to the charge state q, inversely proportional to the target ionization energy I T, and inversely proportional to v m. For the shape of the cross section curve, we use a function that decays exponentially asymptotically at high and low velocities. We scale this function with parameters $${v}_{{\\rm{m}}},{I}_{{\\rm{T}}},{Z}_{{\\rm{T}}},\\mathrm{and}\\ {Z}_{{\\rm{P}}}$$, where the $${Z}_{{\\rm{T}},{\\rm{P}}}$$ are the target and projectile atomic numbers. In conclusion, for the more than 100 cross section curves that we use to find the scaling rules, the scaling law predicts cross sections within a little over a factor of 2 on average.« less

Cross Section Sensitivity and Propagated Errors in HZE Exposures

NASA Technical Reports Server (NTRS)

Heinbockel, John H.; Wilson, John W.; Blatnig, Steve R.; Qualls, Garry D.; Badavi, Francis F.; Cucinotta, Francis A.

2005-01-01

It has long been recognized that galactic cosmic rays are of such high energy that they tend to pass through available shielding materials resulting in exposure of astronauts and equipment within space vehicles and habitats. Any protection provided by shielding materials result not so much from stopping such particles but by changing their physical character in interaction with shielding material nuclei forming, hopefully, less dangerous species. Clearly, the fidelity of the nuclear cross-sections is essential to correct specification of shield design and sensitivity to cross-section error is important in guiding experimental validation of cross-section models and database. We examine the Boltzmann transport equation which is used to calculate dose equivalent during solar minimum, with units (cSv/yr), associated with various depths of shielding materials. The dose equivalent is a weighted sum of contributions from neutrons, protons, light ions, medium ions and heavy ions. We investigate the sensitivity of dose equivalent calculations due to errors in nuclear fragmentation cross-sections. We do this error analysis for all possible projectile-fragment combinations (14,365 such combinations) to estimate the sensitivity of the shielding calculations to errors in the nuclear fragmentation cross-sections. Numerical differentiation with respect to the cross-sections will be evaluated in a broad class of materials including polyethylene, aluminum and copper. We will identify the most important cross-sections for further experimental study and evaluate their impact on propagated errors in shielding estimates.

Macrosegregation Due to Convection in Al-19Cu Alloy Directionally Solidified Through an Abrupt Expansion in Cross-Section: A Comparison with Al-7Si

NASA Astrophysics Data System (ADS)

Ghods, M.; Lauer, M.; Grugel, R. N.; Tewari, S. N.; Poirier, D. R.

2017-10-01

Hypoeutectic Al-19 wt.% Cu alloys were directionally solidified at two different growth speeds in cylindrical molds that featured an abrupt increase in cross-section, from 3.2 to 9.5 mm in diameter. The effects of thermosolutal convection and shrinkage flow induced by the cross-section change on macrosegregation were investigated. Dendrite clustering and extensive radial macrosegregation were seen, particularly in the larger cross-section after expansion. Negative longitudinal macrosegregation right after the cross-section increase was observed; the extent of macrosegregation, however, decreases with increasing growth speed. Both thermal and flow effects due to cross-section change were seen to influence the radial macrosegregation immediately before, and after the expansion. Radial macrosegregation pattern was found to be changing as the mushy zone enters the larger cross-section region above the cross-section change where the solidification is in its unsteady state. The effect of the solutal expansion coefficient on macrosegregation was studied by comparing the degree of thermosolutal convection in Al-19 wt.% Cu with a previous study in which we investigated Al-7 wt.% Si. A two-dimensional model accounting for both shrinkage and thermosolutal convection was used to simulate the resulting steepling, as well as the axial and radial macrosegregation. The experimentally observed macrosegregation associated with the expansion during directional solidification is well predicted by the numerical simulations.

Total Cross Sections as a Surrogate for Neutron Capture: An Opportunity to Accurately Constrain (n,γ) Cross Sections for Nuclides Beyond the Reach of Direct Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koehler, Paul E.

2014-03-05

There are many (n,γ) cross sections of great interest to radiochemical diagnostics and to nuclear astrophysics which are beyond the reach of current measurement techniques, and likely to remain so for the foreseeable future. In contrast, total neutron cross sections currently are feasible for many of these nuclides and provide almost all the information needed to accurately calculate the (n,γ) cross sections via the nuclear statistical model (NSM). I demonstrate this for the case of 151Sm; NSM calculations constrained using average resonance parameters obtained from total cross section measurements made in 1975, are in excellent agreement with recent 151Sm (n,γ)more » measurements across a wide range of energy. Furthermore, I demonstrate through simulations that total cross section measurements can be made at the Manuel Lujan Jr. Neutron Scattering Center at the Los Alamos Neutron Science Center for samples as small as 10μg. Samples of this size should be attainable for many nuclides of interest. Finally, I estimate that over half of the radionuclides identified ~20 years ago as having (n,γ) cross sections of importance to s-process nucleosynthesis studies (24/43) and radiochemical diagnostics (11/19), almost none of which have been measured, can be constrained using this technique.« less

Bridging the Gap Between Understanding and Doing in Structural Geology - Coring the Subsurface with Scratch-Art

NASA Astrophysics Data System (ADS)

Bilsley, N. A.; Cook, H. M.

2016-12-01

Although most geology students feel the joy of interpreting geologic cross sections, few experience the challenges career geologists face in order to create these visual representations. Without a hefty budget and a drill rig, students generally miss out on the challenge of extrapolating subsurficial features from limited datasets, and jump to narrating geologic time through beautifully pre-drawn cross sections. Although this method allows students to practice relative dating techniques, they miss the practical step of learning how we have come to understand what the subsurface looks like in the first place. This activity was designed to close that gap, while giving students the opportunity to engage in peer learning by strategizing in groups, critiquing each other's work, and evaluating their own work. Broken into groups, students are instructed to create a geologic cross section that must include specific structural features. The cross sections are traded with another group, who reviews and provides feedback on the drawing before returning it back to the original group. The feedback is reviewed and incorporated, before the cross sections are colored and covered with black coated, clear scratch-art paper. The hidden cross sections are traded with a new group, who must decide where and how deep to scratch, or "core", on their cross section. Utilizing the data obtained from the cores, the students interpret and draw a new cross section. Finally, the scratch-art paper is removed, and the original cross section revealed. The differences between the original and interpreted subsurface as well as evaluation of sampling methods (e.g. location and depth of cores) are discussed within the groups and with the class. This activity bridges the gap between developing the intuition needed to create cross sections with realistic geoscientific techniques and utilizing cross sections to understand geologic time. In addition, not only does the activity require few supplies and minimal time of the instructor, but its peer-based learning approach stimulates creativity, allows students to effectively generate and communicate constructive feedback, and encourages students to evaluate and critique their methods and assumptions.

Electron collisions with ethylene

NASA Astrophysics Data System (ADS)

Panajotovic, R.; Kitajima, M.; Tanaka, H.; Jelisavcic, M.; Lower, J.; Campbell, L.; Brunger, M. J.; Buckman, S. J.

2003-04-01

We have measured absolute elastic scattering and vibrational excitation cross sections for electron impact on ethylene. The experimental data have been obtained on two different crossed-beam electron spectrometers and they cover the energy range from 1 to 100 eV and scattering angles between 10° and 130°. Both differential (in angle) and energy-dependent cross sections have been measured. The differential cross sections have also been analysed using a molecular phase shift analysis technique in order to derive the integral elastic and elastic momentum transfer cross sections. Comparison is made with earlier data, where available, and also with a number of recent theoretical calculations.

First measurement of the charged current cross section at HERA

NASA Astrophysics Data System (ADS)

Ahmed, T.; Andreev, V.; Andrieu, B.; Appuhn, R.-D.; Arpagaus, M.; Babaev, A.; Bán, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Barth, M.; Bassler, U.; Beck, H. P.; Behrend, H.-J.; Belousov, A.; Berger, Ch.; Bergstein, H.; Bernardi, G.; Bernet, R.; Bertrand-Coremans, G.; Besançon, M.; Biddulph, P.; Bizot, J. C.; Blobel, V.; Borras, K.; Boudry, V.; Braemer, A.; Brasse, F.; Braunschweig, W.; Brisson, V.; Bruncko, D.; Brune, C.; Büngener, L.; Bürger, J.; Büsser, F. W.; Buniatian, A.; Burke, S.; Buschhorn, G.; Campbell, A. J.; Carli, T.; Charles, F.; Clarke, D.; Clegg, A. B.; Colombo, M.; Coughlan, J. A.; Courau, A.; Coutures, Ch.; Cozzika, G.; Criegee, L.; Cussans, D. G.; Cvach, J.; Dagoret, S.; Dainton, J. B.; Danilov, M.; Dann, A. W. E.; Dau, W. D.; Daum, K.; David, M.; Deffur, E.; Delcourt, B.; Del Buono, L.; De Roeck, A.; De Wolf, E.; Dollfus, C.; Dowell, J. D.; Dreis, H. B.; Duboc, J.; Düllmann, D.; Dünger, O.; Duhm, H.; Ebert, J.; Ebert, T. R.; Eckerlin, G.; Efremenko, V.; Egli, S.; Ehrlichmann, H.; Eichenberger, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellison, R. J.; Elsen, E.; Erdmann, M.; Evrard, E.; Favart, L.; Fedotov, A.; Feeken, D.; Felst, R.; Feltesse, J.; Ferencei, J.; Ferrarotto, F.; Flamm, K.; Flauger, W.; Fleischer, M.; Flieser, M.; Flügge, G.; Fomenko, A.; Fominykh, B.; Forbush, M.; Formánek, J.; Foster, J. M.; Franke, G.; Fretwurst, E.; Gabathuler, E.; Gamerdinger, K.; Garvey, J.; Gayler, J.; Gebauer, M.; Gellrich, A.; Genzel, H.; Gerhards, R.; Goerlach, U.; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Goldner, D.; Goodall, A. M.; Gorelov, I.; Goritchev, P.; Grab, C.; Grässler, H.; Grässler, R.; Greenshaw, T.; Grindhammer, G.; Gruber, C.; Haack, J.; Haidt, D.; Hajduk, L.; Hamon, O.; Hampel, M.; Hanlon, E. M.; Hapke, M.; Haynes, W. J.; Heatherington, J.; Hedberg, V.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herma, R.; Herynek, I.; Hildesheim, W.; Hill, P.; Hilton, C. D.; Hladký, J.; Hoeger, K. C.; Höppner, M.; Huet, Ph.; Hufnagel, H.; Ibbotson, M.; Itterbeck, H.; Jabiol, M.-A.; Jacholkowska, A.; Jacobsson, C.; Jaffre, M.; Janoth, J.; Jansen, T.; Jönsson, L.; Johannsen, K.; Johnson, D. P.; Johnson, L.; Jung, H.; Kalmus, P. I. P.; Kant, D.; Kazarian, S.; Kaschowitz, R.; Kasselmann, P.; Kathage, U.; Kaufmann, H. H.; Kenyon, I. R.; Kermiche, S.; Keuker, C.; Kiesling, C.; Klein, M.; Kleinwort, C.; Knies, G.; Ko, W.; Köhler, T.; Kolanoski, H.; Kole, F.; Kolya, S. D.; Korbel, V.; Korn, M.; Kostka, P.; Kotelnikov, S. K.; Krasny, M. W.; Krehbiel, H.; Krücker, D.; Krüger, U.; Krüner-Marquis, M.; Kubenka, J. P.; Küster, H.; Kuhlen, M.; Kurča, T.; Kurzhöfer, J.; Kuznik, B.; Lacour, D.; Lamarche, F.; Lander, R.; Landon, M. P. J.; Lange, W.; Lanius, P.; Laporte, J. F.; Lebedev, A.; Leverenz, C.; Levonian, S.; Ley, Ch.; Lindner, A.; Lindström, G.; Linsel, F.; Lipinski, J.; Loch, P.; Lohmander, H.; Lopez, G. C.; Lüers, D.; Lüke, D.; Magnussen, N.; Malinovski, E.; Mani, S.; Marage, P.; Marshall, R.; Martens, J.; Martin, R.; Martyn, H.-U.; Martyniak, J.; Masson, S.; Mavroidis, A.; Maxfield, S. J.; McMahon, S. J.; Mehta, A.; Meier, K.; Mercer, D.; Merz, T.; Meyer, C. A.; Meyer, H.; Meyer, J.; Mikocki, S.; Milone, V.; Milstead, D.; Moreau, F.; Morris, J. V.; Müller, G.; Murín, P.; Nagovizin, V.; Naroska, B.; Naumann, Th.; Nawrath, G.; Newman, P. R.; Newton, D.; Neyret, D.; Nguyen, H. K.; Niebergall, F.; Niebuhr, C.; Nisius, R.; Nowak, G.; Noyes, G. W.; Nyberg-Werther, M.; Oberlack, H.; Obrock, U.; Olsson, J. E.; Panitch, A.; Pascaud, C.; Patel, G. D.; Peppel, E.; Perez, E.; Phillips, J. P.; Pichler, Ch.; Pitzl, D.; Pope, G.; Prell, S.; Prosi, R.; Rädel, G.; Raupach, F.; Reimer, P.; Reinshagen, S.; Ribarics, P.; Riech, V.; Riedlberger, J.; Riess, S.; Rietz, M.; Robertson, S. M.; Robmann, P.; Roosen, R.; Rosenbauer, K.; Rostovtsev, A.; Royon, C.; Rüter, K.; Ruffer, M.; Rusakov, S.; Rybicki, K.; Sahlmann, N.; Sanchez, E.; Sankey, D. P. C.; Savitsky, M.; Schacht, P.; Schleper, P.; von Schlippe, W.; Schmidt, C.; Schmidt, D.; Schöning, A.; Schröder, V.; Schulz, M.; Schwab, B.; Schwind, A.; Seehausen, U.; Sefkow, F.; Sell, R.; Semenov, A.; Shekelyan, V.; Sheviakov, I.; Shooshtari, H.; Shtarkov, L. N.; Siegmon, G.; Siewert, U.; Sirois, Y.; Skillicorn, I. O.; Smirnov, P.; Smith, J. R.; Soloviev, Y.; Spitzer, H.; Staroba, P.; Steenbock, M.; Steffen, P.; Steinberg, R.; Stella, B.; Stephens, K.; Stier, J.; Stiewe, J.; Stösslein, U.; Strachota, J.; Straumann, U.; Struczinski, W.; Sutton, J. P.; Tapprogge, S.; Taylor, R. E.; Tchernyshov, V.; Thiebaux, C.; Thompson, G.; Tichomirov, I.; Truöl, P.; Turnau, J.; Tutas, J.; Usik, A.; Valkar, S.; Valkarova, A.; Vallée, C.; Van Esch, P.; Van Mechelen, P.; Vartapetian, A.; Vazdik, Y.; Vecko, M.; Verrecchia, P.; Villet, G.; Wacker, K.; Wagener, A.; Walker, I. W.; Walther, A.; Weber, G.; Weber, M.; Weber, M.; Wegener, D.; Wegner, A.; Wellisch, H. P.; West, L. R.; Willard, S.; Winde, M.; Winter, G.-G.; Wolff, Th.; Wright, A. E.; Wünsch, E.; Wulff, N.; Yiou, T. P.; Žáček, J.; Zhang, Z.; Zimmer, M.; Zimmermann, W.; Zomer, F.; Zuber, K.; H1 Collaboration

1994-03-01

The cross section of the charged current process e-p → ve + hadrons is measured at HERA for transverse momenta of the hadron system larger than 25 GeV. The size of the cross section exhibits the W propagator.

Inclined Bodies of Various Cross Sections at Supersonic Speeds

NASA Technical Reports Server (NTRS)

Jorgensen, Leland H.

1958-01-01

To aid in assessing effects of cross-sectional shape on body aerodynamics, the forces and moments have been measured for bodies with circular, elliptic, square, and triangular cross sections at Mach numbers 1.98 and 3.88. Results for bodies with noncircular cross sections have been compared with results for bodies of revolution having the same axial distribution of cross-sectional area (and, thus, the same equivalent fineness ratio). Comparisons have been made for bodies of fineness ratios 6 and 10 at angles of attack from 0 deg to about 20 deg and for Reynolds numbers, based on body length, of 4.0 x 10(exp 6) and 6.7 x 10(exp 6). The results of this investigation show that distinct aerodynamic advantages can be obtained by using bodies with noncircular cross sections. At certain angles of bank, bodies with elliptic, square, and triangular cross sections develop considerably greater lift and lift-drag ratios than equivalent bodies of revolution. For bodies with elliptic cross sections, lift and pitching-moment coefficients can be correlated with corresponding coefficients for equivalent circular bodies. It has been found that the ratios of lift and pitching-moment coefficients for an elliptic body to those for an equivalent circular body are practically constant with change in both angle of attack and Mach number. These lift and moment ratios are given very accurately by slender-body theory. As a result of this agreement, the method of NACA Rep. 1048 for computing forces and moments for bodies of revolution has been simply extended to bodies with elliptic cross sections. For the cases considered (elliptic bodies of fineness ratios 6 and 10 having cross-sectional axis ratios of 1.5 and 2), agreement of theory with experiment is very good. As a supplement to the force and moment results, visual studies of the flow over bodies have been made by use of the vapor-screen, sublimation, and white-lead techniques. Photographs from these studies are included in the report.

Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Romarly F. da; Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo; Oliveira, Eliane M. de

2015-03-14

We report theoretical and experimental total cross sections for electron scattering by phenol (C{sub 6}H{sub 5}OH). The experimental data were obtained with an apparatus based in Madrid and the calculated cross sections with two different methodologies, the independent atom method with screening corrected additivity rule (IAM-SCAR), and the Schwinger multichannel method with pseudopotentials (SMCPP). The SMCPP method in the N{sub open}-channel coupling scheme, at the static-exchange-plus-polarization approximation, is employed to calculate the scattering amplitudes at impact energies ranging from 5.0 eV to 50 eV. We discuss the multichannel coupling effects in the calculated cross sections, in particular how the numbermore » of excited states included in the open-channel space impacts upon the convergence of the elastic cross sections at higher collision energies. The IAM-SCAR approach was also used to obtain the elastic differential cross sections (DCSs) and for correcting the experimental total cross sections for the so-called forward angle scattering effect. We found a very good agreement between our SMCPP theoretical differential, integral, and momentum transfer cross sections and experimental data for benzene (a molecule differing from phenol by replacing a hydrogen atom in benzene with a hydroxyl group). Although some discrepancies were found for lower energies, the agreement between the SMCPP data and the DCSs obtained with the IAM-SCAR method improves, as expected, as the impact energy increases. We also have a good agreement among the present SMCPP calculated total cross section (which includes elastic, 32 inelastic electronic excitation processes and ionization contributions, the latter estimated with the binary-encounter-Bethe model), the IAM-SCAR total cross section, and the experimental data when the latter is corrected for the forward angle scattering effect [Fuss et al., Phys. Rev. A 88, 042702 (2013)].« less

Torsional Buckling Tests of a Simulated Solar Array

NASA Technical Reports Server (NTRS)

Thornton, E. A.

1996-01-01

Spacecraft solar arrays are typically large structures supported by long, thin deployable booms. As such, they may be particularly susceptible to abnormal structural behavior induced by mechanical and thermal loading. One example is the Hubble Space Telescope solar arrays which consist of two split tubes fit one inside the other called BiSTEMs. The original solar arrays on the Hubble Space Telescope were found to be severely twisted following deployment and later telemetry data showed the arrays were vibrating during daylight to night and night to daylight transition. The solar array twist however can force the BiSTEM booms to change in cross-section and cause tile solar arrays to react unpredictably to future loading. The solar arrays were redesigned to correct for tile vibration, however, upon redeployment they again twisted. To assess the influence of boom cross-sectional configuration, experiments were conducted on two types of booms, (1)booms with closed cross-sections, and (2) booms with open cross-sections. Both models were subjected to compressive loading and imposed tip deflections. An existing analytical model by Chung and Thornton was used to define the individual load ranges for each model solar array configuration. The load range for the model solar array using closed cross-section booms was 0-120 Newtons and 0-160 Newtons for the model solar array using open cross-section booms. The results indicate the model solar array with closed cross-section booms buckled only in flexure. However, the results of the experiment with open cross-section booms indicate the model solar array buckled only in torsion and with imposed tip deflections the cross section can degrade by rotation of the inner relative to the outer STEM. For tile Hubble Space Telescope solar arrays the results of these experiments indicate the twisting resulted from the initial mechanical loading of the open cross-section booms.

Augmented Cross-Sectional Studies with Abbreviated Follow-up for Estimating HIV Incidence

PubMed Central

Claggett, B.; Lagakos, S.W.; Wang, R.

2011-01-01

Summary Cross-sectional HIV incidence estimation based on a sensitive and less-sensitive test offers great advantages over the traditional cohort study. However, its use has been limited due to concerns about the false negative rate of the less-sensitive test, reflecting the phenomenon that some subjects may remain negative permanently on the less-sensitive test. Wang and Lagakos (2010) propose an augmented cross-sectional design which provides one way to estimate the size of the infected population who remain negative permanently and subsequently incorporate this information in the cross-sectional incidence estimator. In an augmented cross-sectional study, subjects who test negative on the less-sensitive test in the cross-sectional survey are followed forward for transition into the nonrecent state, at which time they would test positive on the less-sensitive test. However, considerable uncertainty exists regarding the appropriate length of follow-up and the size of the infected population who remain nonreactive permanently to the less-sensitive test. In this paper, we assess the impact of varying follow-up time on the resulting incidence estimators from an augmented cross-sectional study, evaluate the robustness of cross-sectional estimators to assumptions about the existence and the size of the subpopulation who will remain negative permanently, and propose a new estimator based on abbreviated follow-up time (AF). Compared to the original estimator from an augmented cross-sectional study, the AF Estimator allows shorter follow-up time and does not require estimation of the mean window period, defined as the average time between detectability of HIV infection with the sensitive and less-sensitive tests. It is shown to perform well in a wide range of settings. We discuss when the AF Estimator would be expected to perform well and offer design considerations for an augmented cross-sectional study with abbreviated follow-up. PMID:21668904

Augmented cross-sectional studies with abbreviated follow-up for estimating HIV incidence.

PubMed

Claggett, B; Lagakos, S W; Wang, R

2012-03-01

Cross-sectional HIV incidence estimation based on a sensitive and less-sensitive test offers great advantages over the traditional cohort study. However, its use has been limited due to concerns about the false negative rate of the less-sensitive test, reflecting the phenomenon that some subjects may remain negative permanently on the less-sensitive test. Wang and Lagakos (2010, Biometrics 66, 864-874) propose an augmented cross-sectional design that provides one way to estimate the size of the infected population who remain negative permanently and subsequently incorporate this information in the cross-sectional incidence estimator. In an augmented cross-sectional study, subjects who test negative on the less-sensitive test in the cross-sectional survey are followed forward for transition into the nonrecent state, at which time they would test positive on the less-sensitive test. However, considerable uncertainty exists regarding the appropriate length of follow-up and the size of the infected population who remain nonreactive permanently to the less-sensitive test. In this article, we assess the impact of varying follow-up time on the resulting incidence estimators from an augmented cross-sectional study, evaluate the robustness of cross-sectional estimators to assumptions about the existence and the size of the subpopulation who will remain negative permanently, and propose a new estimator based on abbreviated follow-up time (AF). Compared to the original estimator from an augmented cross-sectional study, the AF estimator allows shorter follow-up time and does not require estimation of the mean window period, defined as the average time between detectability of HIV infection with the sensitive and less-sensitive tests. It is shown to perform well in a wide range of settings. We discuss when the AF estimator would be expected to perform well and offer design considerations for an augmented cross-sectional study with abbreviated follow-up. © 2011, The International Biometric Society.

Bridge-scour analysis using the water surface profile (WSPRO) model

USGS Publications Warehouse

Mueller, David S.; ,

1993-01-01

A program was developed to extract hydraulic information required for bridge-scour computations, from the Water-Surface Profile computation model (WSPRO). The program is written in compiled BASIC and is menu driven. Using only ground points, the program can compute average ground elevation, cross-sectional area below a specified datum, or create a Drawing Exchange Format (DXF) fie of cross section. Using both ground points ad hydraulic information form the equal-conveyance tubes computed by WSPRO, the program can compute hydraulic parameters at a user-specified station or in a user-specified subsection of the cross section. The program can identify the maximum velocity in a cross section and the velocity and depth at a user-specified station. The program also can identify the maximum velocity in the cross section and the average velocity, average depth, average ground elevation, width perpendicular to the flow, cross-sectional area of flow, and discharge in a subsection of the cross section. This program does not include any help or suggestions as to what data should be extracted; therefore, the used must understand the scour equations and associated variables to the able to extract the proper information from the WSPRO output.

Double differential cross sections for proton induced electron emission from molecular analogues of DNA constituents for energies in the Bragg peak region

NASA Astrophysics Data System (ADS)

Rudek, Benedikt; Bennett, Daniel; Bug, Marion U.; Wang, Mingjie; Baek, Woon Yong; Buhr, Ticia; Hilgers, Gerhard; Champion, Christophe; Rabus, Hans

2016-09-01

For track structure simulations in the Bragg peak region, measured electron emission cross sections of DNA constituents are required as input for developing parameterized model functions representing the scattering probabilities. In the present work, double differential cross sections were measured for the electron emission from vapor-phase pyrimidine, tetrahydrofuran, and trimethyl phosphate that are structural analogues to the base, the sugar, and the phosphate residue of the DNA, respectively. The range of proton energies was from 75 keV to 135 keV, the angles ranged from 15° to 135°, and the electron energies were measured from 10 eV to 200 eV. Single differential and total electron emission cross sections are derived by integration over angle and electron energy and compared to the semi-empirical Hansen-Kocbach-Stolterfoht (HKS) model and a quantum mechanical calculation employing the first Born approximation with corrected boundary conditions (CB1). The CB1 provides the best prediction of double and single differential cross section, while total cross sections can be fitted with semi-empirical models. The cross sections of the three samples are proportional to their total number of valence electrons.

Compound-nuclear Reactions with Unstable Isotopes: Constraining Capture Cross Sections with Indirect Data and Theory

NASA Astrophysics Data System (ADS)

Escher, Jutta

2016-09-01

Cross sections for compound-nuclear reactions involving unstable targets are important for many applications, but can often not be measured directly. Several indirect methods have recently been proposed to determine neutron capture cross sections for unstable isotopes. These methods aim at constraining statistical calculations of capture cross sections with data obtained from the decay of the compound nucleus relevant to the desired reaction. Each method produces this compound nucleus in a different manner (via a light-ion reaction, a photon-induced reaction, or β decay) and requires additional ingredients to yield the sought-after cross section. This contribution focuses on the process of determining capture cross sections from inelastic scattering and transfer experiments. Specifically, theoretical descriptions of the (p,d) transfer reaction have been developed to complement recent measurements in the Zr-Y region. The procedure for obtaining constraints for unknown capture cross sections is illustrated. The main advantages and challenges of this approach are compared to those of the proposed alternatives. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Mental visualization of objects from cross-sectional images

PubMed Central

Wu, Bing; Klatzky, Roberta L.; Stetten, George D.

2011-01-01

We extended the classic anorthoscopic viewing procedure to test a model of visualization of 3D structures from 2D cross-sections. Four experiments were conducted to examine key processes described in the model, localizing cross-sections within a common frame of reference and spatiotemporal integration of cross sections into a hierarchical object representation. Participants used a hand-held device to reveal a hidden object as a sequence of cross-sectional images. The process of localization was manipulated by contrasting two displays, in-situ vs. ex-situ, which differed in whether cross sections were presented at their source locations or displaced to a remote screen. The process of integration was manipulated by varying the structural complexity of target objects and their components. Experiments 1 and 2 demonstrated visualization of 2D and 3D line-segment objects and verified predictions about display and complexity effects. In Experiments 3 and 4, the visualized forms were familiar letters and numbers. Errors and orientation effects showed that displacing cross-sectional images to a remote display (ex-situ viewing) impeded the ability to determine spatial relationships among pattern components, a failure of integration at the object level. PMID:22217386

Roof Plans: Section "CC", Roof Plan; Roof Framing Plans: Section ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Roof Plans: Section "C-C", Roof Plan; Roof Framing Plans: Section "C-C", Section "D-D"; Roof Framing Sections: Cross Section "G-G", Cross Section "H-H" - Fort Washington, Fort Washington Light, Northeast side of Potomac River at Fort Washington Park, Fort Washington, Prince George's County, MD

Nucleon-Nucleon Total Cross Section

NASA Technical Reports Server (NTRS)

Norbury, John W.

2008-01-01

The total proton-proton and neutron-proton cross sections currently used in the transport code HZETRN show significant disagreement with experiment in the GeV and EeV energy ranges. The GeV range is near the region of maximum cosmic ray intensity. It is therefore important to correct these cross sections, so that predictions of space radiation environments will be accurate. Parameterizations of nucleon-nucleon total cross sections are developed which are accurate over the entire energy range of the cosmic ray spectrum.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zissa, D.E.; Barnes, V.E.; Carmony, D.D.

The elastic and topological p-barp cross sections have been measured at 48.9 GeV/c in the Fermilab proportional-wire-chamber--30-in.-bubble-chamber hybrid spectrometer. The elastic cross section is 7.81 +- 0.24 mb and the slope of the elastic differential cross section at t=0 is 13.4 +- 0.8 GeV/sup -2/. Further, the moments of the inelastic topological-cross-section distribution are =5.69 +- 0.03, /D=2.10 +- 0.02, and f/sup c/c/sub 2/=1.67 +- 0.12.

Total photoionization cross sections of atomic oxygen from threshold to 44.3 A

NASA Technical Reports Server (NTRS)

Angel, G. C.; Samson, James A. R.

1988-01-01

Synchrotron radiation was used to obtain the relative photoionization cross section of atomic oxygen for the production of singly charged ions over the 44.3-910.5-A wavelength range. Measurement of the contribution of multiple ionization to the cross sections has made possible the determination of total photoionization cross sections below 250 A. The series of autoionizing resonances leading to the 4P state of the oxygen ion has been observed using an ionization-type experimental procedure for the first time.

Evaluation of fusion-evaporation cross-section calculations

NASA Astrophysics Data System (ADS)

Blank, B.; Canchel, G.; Seis, F.; Delahaye, P.

2018-02-01

Calculated fusion-evaporation cross sections from five different codes are compared to experimental data. The present comparison extents over a large range of nuclei and isotopic chains to investigate the evolution of experimental and calculated cross sections. All models more or less overestimate the experimental cross sections. We found reasonable agreement by using the geometrical average of the five model calculations and dividing the average by a factor of 11.2. More refined analyses are made for example for the 100Sn region.

Measurement of the antineutrino neutral-current elastic differential cross section

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A. A.; Brown, B. C.; Bugel, L.; Cheng, G.; Church, E. D.; Conrad, J. M.; Dharmapalan, R.; Djurcic, Z.; Finley, D. A.; Ford, R.; Garcia, F. G.; Garvey, G. T.; Grange, J.; Huelsnitz, W.; Ignarra, C.; Imlay, R.; Johnson, R. A.; Karagiorgi, G.; Katori, T.; Kobilarcik, T.; Louis, W. C.; Mariani, C.; Marsh, W.; Mills, G. B.; Mirabal, J.; Moore, C. D.; Mousseau, J.; Nienaber, P.; Osmanov, B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Ray, H.; Roe, B. P.; Russell, A. D.; Shaevitz, M. H.; Spitz, J.; Stancu, I.; Tayloe, R.; Van de Water, R. G.; Wascko, M. O.; White, D. H.; Wickremasinghe, D. A.; Zeller, G. P.; Zimmerman, E. D.; MiniBooNE Collaboration

2015-01-01

We report the measurement of the flux-averaged antineutrino neutral current elastic scattering cross section (d σν ¯N →ν ¯N/d Q2) on CH2 by the MiniBooNE experiment using the largest sample of antineutrino neutral current elastic candidate events ever collected. The ratio of the antineutrino to neutrino neutral current elastic scattering cross sections and a ratio of the antineutrino neutral current elastic to antineutrino charged current quasielastic cross sections are also presented.

Electron-Impact Cross Sections for Dipole- and Spin-Allowed Excitations of Hydrogen, Helium, and Lithium.

PubMed

Stone, Philip M; Kim, Yong-Ki; Desclaux, J P

2002-01-01

Electron-impact excitation cross sections are presented for the dipole- and spin allowed transitions from the ground states to the np (2)P states for hydrogen and lithium, and to the 1snp (1)P states for helium, n = 2 through 10. Two scaling formulas developed earlier by Kim [Phys. Rev. A 64, 032713 (2001)] for plane-wave Born cross sections are used. The scaled Born cross sections are in excellent agreement with available theoretical and experimental data.

M shell X-ray production cross sections and fluorescence yields for the elements with 71 <= Z <= 92 using 5.96 keV photons

NASA Astrophysics Data System (ADS)

Puri, S.; Mehta, D.; Chand, B.; Singh, Nirmal; Mangal, P. C.; Trehan, P. N.

1993-03-01

Total M X-ray production (XRP) cross sections for ten elements in the atomic number region 71 ≤ Z ≤ 92 were measured at 5.96 keV incident photon energy. The average M shell fluorescence yields < overlineωM> have also been computed using the present measured cross section values and the theoretical M shell photoionisation cross sections. The results are compared with theoretical values.

Measurement of the antineutrino neutral-current elastic differential cross section

DOE PAGES

Aguilar-Arevalo, A.  A.; Brown, B.  C.; Bugel, L.; ...

2015-01-08

We report the measurement of the flux-averaged antineutrino neutral current elastic scattering cross section (dσ ν-barN→ν-barN/dQ 2) on CH 2 by the MiniBooNE experiment using the largest sample of antineutrino neutral current elastic candidate events ever collected. The ratio of the antineutrino to neutrino neutral current elastic scattering cross sections and a ratio of the antineutrino neutral current elastic to antineutrino charged current quasi elastic cross sections are also presented.

Uncertainty quantification in (α,n) neutron source calculations for an oxide matrix

DOE PAGES

Pigni, M. T.; Croft, S.; Gauld, I. C.

2016-04-25

Here we present a methodology to propagate nuclear data covariance information in neutron source calculations from (α,n) reactions. The approach is applied to estimate the uncertainty in the neutron generation rates for uranium oxide fuel types due to uncertainties on 1) 17,18O( α,n) reaction cross sections and 2) uranium and oxygen stopping power cross sections. The procedure to generate reaction cross section covariance information is based on the Bayesian fitting method implemented in the R-matrix SAMMY code. The evaluation methodology uses the Reich-Moore approximation to fit the 17,18O(α,n) reaction cross-sections in order to derive a set of resonance parameters andmore » a related covariance matrix that is then used to calculate the energydependent cross section covariance matrix. The stopping power cross sections and related covariance information for uranium and oxygen were obtained by the fit of stopping power data in the -energy range of 1 keV up to 12 MeV. Cross section perturbation factors based on the covariance information relative to the evaluated 17,18O( α,n) reaction cross sections, as well as uranium and oxygen stopping power cross sections, were used to generate a varied set of nuclear data libraries used in SOURCES4C and ORIGEN for inventory and source term calculations. The set of randomly perturbed output (α,n) source responses, provide the mean values and standard deviations of the calculated responses reflecting the uncertainties in nuclear data used in the calculations. Lastly, the results and related uncertainties are compared with experiment thick target (α,n) yields for uranium oxide.« less

[Relationship between image quality and cross-sectional area of phantom in three-dimensional positron emission tomography scan].

PubMed

Osawa, Atsushi; Miwa, Kenta; Wagatsuma, Kei; Takiguchi, Tomohiro; Tamura, Shintaro; Akimoto, Kenta

2012-01-01

The image quality in (18)FDG PET/CT often degrades as the body size increases. The purpose of this study was to evaluate the relationship between image quality and the body size using original phantoms of variable cross-sectional areas in PET/CT. We produced five water phantoms with different cross-sectional areas. The long axis of phantom was 925 mm, and the cross-sectional area was from 324 to 1189 cm(2). These phantoms with the sphere (diameter 10 mm) were filled with (18)F-FDG solution. The radioactivity concentration of background in the phantom was 1.37, 2.73, 4.09 and 5.46 kBq/mL. The scanning duration was 30 min in list mode acquisition for each measurement. Background variability (N(10 mm)), noise equivalent count rates (NECR(phantom)), hot sphere contrast (Q(H,10 mm)) as physical evaluation and visual score of sphere detection were measured, respectively. The relationship between image quality and the various cross-sectional areas was also analyzed under the above-mentioned conditions. As cross-sectional area increased, NECR(phantom) progressively decreased. Furthermore, as cross-sectional area increased, N(10 mm) increased and Q(H,10 mm) decreased. Image quality became degraded as body weight increased because noise and contrast contributed to image quality. The visual score of sphere detection deteriorated in high background radioactivity concentration because a false positive detection in cross-sectional area of the phantom increased. However, additional increases in scanning periods could improve the visual score. We assessed tendencies in the relationship between image quality and body size in PET/CT. Our results showed that time adjustment was more effective than dose adjustment for stable image quality of heavier patients in terms of the large cross-sectional area.

Biomechanical Factors Associated With Jump Height: A Comparison of Cross-Sectional and Pre-to-Posttraining Change Findings.

PubMed

Marshall, Brendan M; Moran, Kieran A

2015-12-01

Previous studies investigating the biomechanical factors associated with maximal countermovement jump height have typically used cross-sectional data. An alternative but less common approach is to use pre-to-posttraining change data, where the relationship between an improvement in jump height and a change in a factor is examined more directly. Our study compared the findings of these approaches. Such an evaluation is necessary because cross-sectional studies are currently a primary source of information for coaches when examining what factors to train to enhance performance. The countermovement jump of 44 males was analyzed before and after an 8-week training intervention. Correlations with jump height were calculated using both cross-sectional (pretraining data only) and pre-to-posttraining change data. Eight factors identified in the cross-sectional analysis were not significantly correlated with a change in jump height in the pre-to-post analysis. Additionally, only 6 of 11 factors identified in the pre-to-post analysis were identified in the cross-sectional analysis. These findings imply that (a) not all factors identified in a cross-sectional analysis may be critical to jump height improvement and (b) cross-sectional analyses alone may not provide an insight into all of the potential factors to train to enhance jump height. Coaches must be aware of these limitations when examining cross-sectional studies to identify factors to train to enhance jump ability. Additional findings highlight that although exercises prescribed to improve jump height should aim to enhance concentric power production at all joints, a particular emphasis on enhancing hip joint peak power may be warranted.

Validation of Cross Sections with Criticality Experiment and Reaction Rates: the Neptunium Case

NASA Astrophysics Data System (ADS)

Leong, L. S.; Tassan-Got, L.; Audouin, L.; Berthier, B.; Le Naour, C.; Stéphan, C.; Paradela, C.; Tarrío, D.; Duran, I.

2014-04-01

The 237Np neutron-induced fission cross section has been recently measured in a large energy range (from eV to GeV) at the n_TOF facility at CERN. When compared to previous measurements the n_TOF fission cross section appears to be higher by 5-7% beyond the fission threshold. To check the relevance of the n_TOF data, we considered a criticality experiment performed at Los Alamos with a 6 kg sphere of 237Np, surrounded by uranium highly enriched in 235U so as to approach criticality with fast neutrons. The multiplication factor keff of the calculation is in better agreement with the experiment when we replace the ENDF/B-VII.0 evaluation of the 237Np fission cross section by the n_TOF data. We also explored the hypothesis of deficiencies of the inelastic cross section in 235U which has been invoked by some authors to explain the deviation of 750 pcm. The large modification needed to reduce the deviation seems to be incompatible with existing inelastic cross section measurements. Also we show that the νbar of 237Np can hardly be incriminated because of the high accuracy of the existing data. Fission rate ratios or averaged fission cross sections measured in several fast neutron fields seem to give contradictory results on the validation of the 237Np cross section but at least one of the benchmark experiments, where the active deposits have been well calibrated for the number of atoms, favors the n_TOF data set. These outcomes support the hypothesis of a higher fission cross section of 237Np.

Optical model potential analysis of n ¯ A and n A interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Teck-Ghee; Wong, Cheuk-Yin

In this study, we use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutronmore » $$\\overline{n}$$ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta p lab ≲ 500 MeV / c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997)] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002)] which exhibit an interesting dependence of the cross sections on p lab as well as on the target mass number A. We also obtain the neutron (n) nonelastic reaction cross sections for the same targets. Comparing the $nA$ reaction cross sections σ$$nA\\atop{rec}$$ to the $$\\overline{n}A$$ annihilation cross sections σ $$\\overline{n}A$$ ann, we find that σ $$\\overline{n}A$$ ann is significantly larger than σ$$nA\\atop{rec}$$, that is, theσ $$\\overline{n}A$$ ann / σ$$nA\\atop{rec}$$ cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the $$\\overline{n}$$ annihilation cross section on the projectile charge is also examined in comparison with the antiproton $$\\overline{p}$$. Here we predict the $$\\overline{p}A$$ annihilation cross section on the simplest assumption that both $$\\overline{p}A$$ and $$\\overline{n}A$$ interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Finally, deviation from a such simple model extrapolation in measurements will provide new information on the difference between $$\\overline{n}A$$ and $$\\overline{p}A$$ potentials.« less

Optical model potential analysis of n ¯A and n A interactions

NASA Astrophysics Data System (ADS)

Lee, Teck-Ghee; Wong, Cheuk-Yin

2018-05-01

We use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutron n ¯ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta plab ≲500 MeV /c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997), 10.1016/S0375-9474(96)00331-4] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002), 10.1016/S0375-9474(01)01252-0] which exhibit an interesting dependence of the cross sections on plab as well as on the target mass number A . We also obtain the neutron (n ) nonelastic reaction cross sections for the same targets. Comparing the n A reaction cross sections σrecn A to the n ¯A annihilation cross sections σannn ¯A, we find that σannn ¯A is significantly larger than σrecn A, that is, the σannn ¯A/σrecn A cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the n ¯ annihilation cross section on the projectile charge is also examined in comparison with the antiproton p ¯. Here we predict the p ¯A annihilation cross section on the simplest assumption that both p ¯A and n ¯A interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Deviation from a such simple model extrapolation in measurements will provide new information on the difference between n ¯A and p ¯A potentials.

Optical model potential analysis of n ¯ A and n A interactions

DOE PAGES

Lee, Teck-Ghee; Wong, Cheuk-Yin

2018-05-25

In this study, we use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutronmore » $$\\overline{n}$$ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta p lab ≲ 500 MeV / c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997)] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002)] which exhibit an interesting dependence of the cross sections on p lab as well as on the target mass number A. We also obtain the neutron (n) nonelastic reaction cross sections for the same targets. Comparing the $nA$ reaction cross sections σ$$nA\\atop{rec}$$ to the $$\\overline{n}A$$ annihilation cross sections σ $$\\overline{n}A$$ ann, we find that σ $$\\overline{n}A$$ ann is significantly larger than σ$$nA\\atop{rec}$$, that is, theσ $$\\overline{n}A$$ ann / σ$$nA\\atop{rec}$$ cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the $$\\overline{n}$$ annihilation cross section on the projectile charge is also examined in comparison with the antiproton $$\\overline{p}$$. Here we predict the $$\\overline{p}A$$ annihilation cross section on the simplest assumption that both $$\\overline{p}A$$ and $$\\overline{n}A$$ interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Finally, deviation from a such simple model extrapolation in measurements will provide new information on the difference between $$\\overline{n}A$$ and $$\\overline{p}A$$ potentials.« less

Systematic effects on cross section data derived from reaction rates in reactor spectra and a re-analysis of 241Am reactor activation measurements

NASA Astrophysics Data System (ADS)

Žerovnik, Gašper; Schillebeeckx, Peter; Becker, Björn; Fiorito, Luca; Harada, Hideo; Kopecky, Stefan; Radulović, Vladimir; Sano, Tadafumi

2018-01-01

Methodologies to derive cross section data from spectrum integrated reaction rates were studied. The Westcott convention and some of its approximations were considered. Mostly measurements without and with transmission filter are combined to determine the reaction cross section at thermal energy together with the resonance integral. The accuracy of the results strongly depends on the assumptions that are made about the neutron energy distribution, which is mostly parameterised as a sum of a thermal and an epi-thermal component. Resonance integrals derived from such data can be strongly biased and should only be used in case no other data are available. The cross section at thermal energy can be biased for reaction cross sections which are dominated by low energy resonances. The amplitude of the effect is related to the lower energy limit that is used for the epi-thermal component of the neutron energy distribution. It is less affected by the assumptions on the shape of the energy distribution. When the energy dependence of the cross section is known and information about the neutron energy distribution is available, a method to correct for a bias on the cross section at thermal energy is proposed. Reactor activation measurements to determine the thermal 241Am(n, γ) cross section reported in the literature were reviewed. In case enough information was available, the results were corrected to account for possible biases and included in a least squares fit. These data combined with results of time-of-flight measurements give a capture cross section 720 (14) b for 241Am(n, γ) at thermal energy.

Some peculiarities of interactions of weakly bound lithium nuclei at near-barrier energies

NASA Astrophysics Data System (ADS)

Kabyshev, A. M.; Kuterbekov, K. A.; Sobolev, Yu G.; Penionzhkevich, Yu E.; Kubenova, M. M.; Azhibekov, A. K.; Mukhambetzhan, A. M.; Lukyanov, S. M.; Maslov, V. A.; Kabdrakhimova, G. D.

2018-02-01

This paper presents new experimental data on the total cross sections of 9Li + 28Si reactions at low energies as well as the analysis of previously obtained data for 6,7Li. Based on a large collection of data (authors’ and literature data) we carried out a comparative analysis of the two main experimental interaction cross sections (angular distributions of the differential cross sections and total reaction cross sections) for weakly bound lithium (6-9Li, 11Li) nuclei in the framework of Kox parameterization and the macroscopic optical model. We identified specific features of these interactions and predicted the experimental trend in the total reaction cross sections for Li isotopes at energies close to the Coulomb barrier.

Single nucleon emission in relativistic nucleus-nucleus reactions

NASA Technical Reports Server (NTRS)

Norbury, John W.; Townsend, Lawrence W.

1992-01-01

Significant discrepancies between theory and experiment have previously been noted for nucleon emission via electromagnetic processes in relativistic nucleus-nucleus collisions. The present work investigates the hypothesis that these discrepancies have arisen due to uncertainties about how to deduce the experimental electromagnetic cross section from the total measured cross section. An optical-model calculation of single neutron removal is added to electromagnetic cross sections and compared to the total experimental cross sections. Good agreement is found thereby resolving some of the earlier noted discrepancies. A detailed comparison to the recent work of Benesh, Cook, and Vary is made for both the impact parameter and the nuclear cross section. Good agreement is obtained giving an independent confirmation of the parameterized formulas developed by those authors.

Two-photon excitation cross-section in light and intermediate atoms

NASA Technical Reports Server (NTRS)

Omidvar, K.

1980-01-01

The method of explicit summation over the intermediate states is used along with LS coupling to derive an expression for two-photon absorption cross section in light and intermediate atoms in terms of integrals over radial wave functions. Two selection rules, one exact and one approximate, are also derived. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum defect method are used. A relationship between the cross section and the oscillator strengths is derived. Cross sections due to selected transitions in nitrogen, oxygen, and chlorine are given. The expression for the cross section is useful in calculating the two-photon absorption in light and intermediate atoms.

Excitation of vibrational quanta in furfural by intermediate-energy electrons

NASA Astrophysics Data System (ADS)

Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

2015-12-01

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pritychenko, B.; Mughabghab, S.F.

We present calculations of neutron thermal cross sections, Westcott factors, resonance integrals, Maxwellian-averaged cross sections and astrophysical reaction rates for 843 ENDF materials using data from the major evaluated nuclear libraries and European activation file. Extensive analysis of newly-evaluated neutron reaction cross sections, neutron covariances, and improvements in data processing techniques motivated us to calculate nuclear industry and neutron physics quantities, produce s-process Maxwellian-averaged cross sections and astrophysical reaction rates, systematically calculate uncertainties, and provide additional insights on currently available neutron-induced reaction data. Nuclear reaction calculations are discussed and new results are presented. Due to space limitations, the present papermore » contains only calculated Maxwellian-averaged cross sections and their uncertainties. The complete data sets for all results are published in the Brookhaven National Laboratory report.« less

Nuclear Data Matters - The obvious case of a bad mixing ratio for 58Co

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffman, R. D.; Nesaraja, Caroline D.; Mattoon, Caleb

We present results of modeled cross sections for neutron- and proton-induced reactions leading to the final product nucleus 58Co. In each case the gamma-cascade branching ratios given in the ENSDF database circa 2014 predict modeled nuclear cross sections leading to the ground and first excited metastable state that are incompatible with measured cross sections found in the NNDC experimental cross section database EXFOR. We show that exploring the uncertainty in the mixing ratio used to calculate the gamma-cascade branching ratios for the 53.15 keV 2 nd excited state leads to changes in the predicted partial cross sections by amounts thatmore » give good agreement with measured data.« less

Nuclear stopping in central Xe+Sn collisions: Confrontation with experimental data

NASA Astrophysics Data System (ADS)

Rajni, Vermani, Yogesh K.

2018-05-01

The influence of symmetry energy and cross section on nuclear stopping is studied in central 54129Xe+50 120Sn Sn collisions at Fermi energies (Elab≈ 20-100 MeV/nucleon). The analysis is conducted using isospin dependent quantum molecular dynamics (IQMD) transport model. Model calculations are done using reduced isospin dependent nucleon-nucleon cross section (σiso) and isospin independent cross section (σnoiso). Calculations using the two versions of cross section are analyzed with and without symmetry energy (Esym). The results are then compared with the experimental data taken with 4π multidetector INDRA. From this comparison, we conclude that nuclear stopping and related production of light charged particles (LCPs) are strongly influenced by isospin dependence of nucleon-nucleon cross section.

Knockout and fragmentation reactions using a broad range of tin isotopes

NASA Astrophysics Data System (ADS)

Rodríguez-Sánchez, J. L.; Benlliure, J.; Bertulani, C. A.; Vargas, J.; Ayyad, Y.; Alvarez-Pol, H.; Atkinson, J.; Aumann, T.; Beceiro-Novo, S.; Boretzky, K.; Caamaño, M.; Casarejos, E.; Cortina-Gil, D.; Díaz-Cortes, J.; Fernández, P. Díaz; Estrade, A.; Geissel, H.; Kelić-Heil, A.; Litvinov, Yu. A.; Mostazo, M.; Paradela, C.; Pérez-Loureiro, D.; Pietri, S.; Prochazka, A.; Takechi, M.; Weick, H.; Winfield, J. S.

2017-09-01

Production cross sections of residual nuclei obtained by knockout and fragmentation reactions of different tin isotopes accelerated at 1 A GeV have been measured with the fragment separator (FRS) at GSI, Darmstadt. The new measurements are used to investigate the neutron-excess dependence of the neutron- and proton-knockout cross sections. These cross sections are compared to Glauber model calculations coupled to a nuclear de-excitation code in order to investigate the role of the remnant excitations. This bench marking shows an overestimation of the cross sections for the removal of deeply bound nucleons. A phenomenological increase in the excitation energy induced in the remnants produced in these cases allows us to reproduce the measured cross sections.

Towards the high-accuracy determination of the 238U fission cross section at the threshold region at CERN - n_TOF

NASA Astrophysics Data System (ADS)

Diakaki, M.; Audouin, L.; Berthoumieux, E.; Calviani, M.; Colonna, N.; Dupont, E.; Duran, I.; Gunsing, F.; Leal-Cidoncha, E.; Le Naour, C.; Leong, L. S.; Mastromarco, M.; Paradela, C.; Tarrio, D.; Tassan-Got, L.; Aerts, G.; Altstadt, S.; Alvarez, H.; Alvarez-Velarde, F.; Andriamonje, S.; Andrzejewski, J.; Badurek, G.; Barbagallo, M.; Baumann, P.; Becares, V.; Becvar, F.; Belloni, F.; Berthier, B.; Billowes, J.; Boccone, V.; Bosnar, D.; Brugger, M.; Calvino, F.; Cano-Ott, D.; Capote, R.; Carrapiço, C.; Cennini, P.; Cerutti, F.; Chiaveri, E.; Chin, M.; Cortes, G.; Cortes-Giraldo, M. A.; Cosentino, L.; Couture, A.; Cox, J.; David, S.; Dillmann, I.; Domingo-Pardo, C.; Dressler, R.; Dridi, W.; Eleftheriadis, C.; Embid-Segura, M.; Ferrant, L.; Ferrari, A.; Finocchiaro, P.; Fraval, K.; Fujii, K.; Furman, W.; Ganesan, S.; Garcia, A. R.; Giubrone, G.; Gomez-Hornillos, M. B.; Goncalves, I. F.; Gonzalez-Romero, E.; Goverdovski, A.; Gramegna, F.; Griesmayer, E.; Guerrero, C.; Gurusamy, P.; Haight, R.; Heil, M.; Heinitz, S.; Igashira, M.; Isaev, S.; Jenkins, D. G.; Jericha, E.; Kadi, Y.; Kaeppeler, F.; Karadimos, D.; Karamanis, D.; Kerveno, M.; Ketlerov, V.; Kivel, N.; Kokkoris, M.; Konovalov, V.; Krticka, M.; Kroll, J.; Lampoudis, C.; Langer, C.; Lederer, C.; Leeb, H.; Lo Meo, S.; Losito, R.; Lozano, M.; Manousos, A.; Marganiec, J.; Martinez, T.; Marrone, S.; Massimi, C.; Mastinu, P.; Mendoza, E.; Mengoni, A.; Milazzo, P. M.; Mingrone, F.; Mirea, M.; Mondelaers, W.; Moreau, C.; Mosconi, M.; Musumarra, A.; O'Brien, S.; Pancin, J.; Patronis, N.; Pavlik, A.; Pavlopoulos, P.; Perkowski, J.; Perrot, L.; Pigni, M. T.; Plag, R.; Plompen, A.; Plukis, L.; Poch, A.; Pretel, C.; Praena, J.; Quesada, J.; Rauscher, T.; Reifarth, R.; Riego, A.; Roman, F.; Rudolf, G.; Rubbia, C.; Rullhusen, P.; Salgado, J.; Santos, C.; Sarchiapone, L.; Sarmento, R.; Saxena, A.; Schillebeeckx, P.; Schmidt, S.; Schumann, D.; Stephan, C.; Tagliente, G.; Tain, J. L.; Tavora, L.; Terlizzi, R.; Tsinganis, A.; Valenta, S.; Vannini, G.; Variale, V.; Vaz, P.; Ventura, A.; Versaci, R.; Vermeulen, M. J.; Villamarin, D.; Vincente, M. C.; Vlachoudis, V.; Vlastou, R.; Voss, F.; Wallner, A.; Walter, S.; Ware, T.; Weigand, M.; Weiß, C.; Wiesher, M.; Wisshak, K.; Wright, T.; Zugec, P.

2016-03-01

The 238U fission cross section is an international standard beyond 2 MeV where the fission plateau starts. However, due to its importance in fission reactors, this cross-section should be very accurately known also in the threshold region below 2 MeV. The 238U fission cross section has been measured relative to the 235U fission cross section at CERN - n_TOF with different detection systems. These datasets have been collected and suitably combined to increase the counting statistics in the threshold region from about 300 keV up to 3 MeV. The results are compared with other experimental data, evaluated libraries, and the IAEA standards.

Cross section for the subthreshold fission of 236U

NASA Astrophysics Data System (ADS)

Alekseev, A. A.; Bergman, A. A.; Berlev, A. I.; Koptelov, E. A.; Samylin, B. F.; Trufanov, A. M.; Fursov, B. I.; Shorin, V. S.

2008-08-01

The cross section for 236U fission in the neutron-energy range E n = 0.001 20 keV was measured by using the INR RAS (Institute of Nuclear Research, Russian Academy of Sciences, Moscow) LSDS-100 neutron spectrometer of the lead slowing-down spectrometer type. The resonance fission areas of the resonances at 5.45 eV and 1.28 keV were found, and the fission widths of these resonances were evaluated. The cross section for the 238U( n, f) fission process was measured, and the threshold sensitivity of the LSDS-100 to small values of fission cross sections was estimated. The well-known intermediate structure in the cross section for the neutron-induced subbarrier fission of 236U was confirmed.

Radiative neutron capture cross sections on 176Lu at DANCE

NASA Astrophysics Data System (ADS)

Roig, O.; Jandel, M.; Méot, V.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.

2016-03-01

The cross section of the neutron capture reaction 176Lu(n ,γ ) has been measured for a wide incident neutron energy range with the Detector for Advanced Neutron Capture Experiments at the Los Alamos Neutron Science Center. The thermal neutron capture cross section was determined to be (1912 ±132 ) b for one of the Lu natural isotopes, 176Lu. The resonance part was measured and compared to the Mughabghab's atlas using the R -matrix code, sammy. At higher neutron energies the measured cross sections are compared to ENDF/B-VII.1, JEFF-3.2, and BRC evaluated nuclear data. The Maxwellian averaged cross sections in a stellar plasma for thermal energies between 5 keV and 100 keV were extracted using these data.

Material mechanical characterization method for multiple strains and strain rates

DOEpatents

Erdmand, III, Donald L.; Kunc, Vlastimil; Simunovic, Srdjan; Wang, Yanli

2016-01-19

A specimen for measuring a material under multiple strains and strain rates. The specimen including a body having first and second ends and a gage region disposed between the first and second ends, wherein the body has a central, longitudinal axis passing through the first and second ends. The gage region includes a first gage section and a second gage section, wherein the first gage section defines a first cross-sectional area that is defined by a first plane that extends through the first gage section and is perpendicular to the central, longitudinal axis. The second gage section defines a second cross-sectional area that is defined by a second plane that extends through the second gage section and is perpendicular to the central, longitudinal axis and wherein the first cross-sectional area is different in size than the second cross-sectional area.

Total and Compound Formation Cross Sections for Americium Nuclei: Recommendations for Coupled-Channels Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Escher, J. E.

Calculations for total cross sections and compound-nucleus (CN) formation cross sections for americium isotopes are described, for use in the 2017 NA-22 evaluation effort. The code ECIS 2006 was used in conjunction with Frank Dietrich's wrapper `runtemplate'.

Investigation of complete and incomplete fusion in the 7Li+124Sn reaction near Coulomb barrier energies

NASA Astrophysics Data System (ADS)

Parkar, V. V.; Sharma, Sushil K.; Palit, R.; Upadhyaya, S.; Shrivastava, A.; Pandit, S. K.; Mahata, K.; Jha, V.; Santra, S.; Ramachandran, K.; Nag, T. N.; Rath, P. K.; Kanagalekar, Bhushan; Trivedi, T.

2018-01-01

The complete and incomplete fusion cross sections for the 7Li+124Sn reaction were measured using online and offline characteristic γ -ray detection techniques. The complete fusion (CF) cross sections at energies above the Coulomb barrier were found to be suppressed by ˜26 % compared to the coupled channel calculations. This suppression observed in complete fusion cross sections is found to be commensurate with the measured total incomplete fusion (ICF) cross sections. There is a distinct feature observed in the ICF cross sections, i.e., t capture is found to be dominant compared to α capture at all the measured energies. A simultaneous explanation of complete, incomplete, and total fusion (TF) data was also obtained from the calculations based on the continuum discretized coupled channel method with short range imaginary potentials. The cross section ratios of CF/TF and ICF/TF obtained from the data as well as the calculations showed the dominance of ICF at below-barrier energies and CF at above-barrier energies.

The evaluation of experimental data in fast range for n + 56Fe(n,inl)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, Jing; Herman, M.; Ge, Zhigang

Iron is one of the five materials selected for evaluation within the pilot international evaluation project CIELO. Analysis of experimental data for n+ 56Fe reaction is the basis for constraining theoretical calculations and eventual creation of the evaluated file. The detail analysis was performed for inelastic cross sections of neutron induced reactions with 56Fe in the fast range up to 20 MeV where there are significant differences among the main evaluated libraries, mainly caused by the different inelastic scattering cross section measurements. Gamma-ray production cross sections provide a way to gain experimental information about the inelastic cross section. Large discrepanciesmore » between experimental data for the 847-keV gamma ray produced in the 56Fe(n,n 1'γ) reaction were analyzed. In addition, experimental data for elastic scattering cross section between 9.41~11 MeV were used to deduce the inelastic cross section from the unitarity constrain.« less

The evaluation of experimental data in fast range for n + 56Fe(n,inl)

DOE PAGES

Qian, Jing; Herman, M.; Ge, Zhigang; ...

2017-09-13

Iron is one of the five materials selected for evaluation within the pilot international evaluation project CIELO. Analysis of experimental data for n+ 56Fe reaction is the basis for constraining theoretical calculations and eventual creation of the evaluated file. The detail analysis was performed for inelastic cross sections of neutron induced reactions with 56Fe in the fast range up to 20 MeV where there are significant differences among the main evaluated libraries, mainly caused by the different inelastic scattering cross section measurements. Gamma-ray production cross sections provide a way to gain experimental information about the inelastic cross section. Large discrepanciesmore » between experimental data for the 847-keV gamma ray produced in the 56Fe(n,n 1'γ) reaction were analyzed. In addition, experimental data for elastic scattering cross section between 9.41~11 MeV were used to deduce the inelastic cross section from the unitarity constrain.« less

Neutron-induced fission-cross-section measurements and calculations of selected transplutonic isotopes

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, R.M.; Browne, J.C.

1982-08-27

The neutron-induced fission cross sections of /sup 242m/Am and /sup 245/Cm have been measured over an energy range of 10/sup -4/ eV to approx. 20 MeV in a series of experiments at three facilities during the past several years. The combined results of these measurements, in which only sub-milligram quantities of enriched isotopes were used, yield cross sections with uncertainties of approximately 5% below 10 MeV relative to the /sup 235/U standard cross section used to normalize the data. We summarize the resonance analysis of the /sup 242m/Am(n,f) cross section in the eV region. Hauser-Feshbach statistical calculations of the detailedmore » fission cross sections of /sup 235/U and /sup 245/Cm have been carried out over the energy region from 0.1 to 5 MeV and these results are compared with our experimental data.« less

Statistical Features of the Thermal Neutron Capture Cross Sections

DOE PAGES

Hussein, M. S.; Carlson, B. V.; Kerman, A. K.

2016-02-01

In this paper, we discuss the existence of huge thermal neutron capture cross sections in several nuclei. The values of the cross sections are several orders of magnitude bigger than expected at these very low energies. We lend support to the idea that this phenomenon is random in nature and is similar to what we have learned from the study of parity violation in the actinide region. The idea of statistical doorways is advanced as a unified concept in the delineation of large numbers in the nuclear world. The average number of maxima per unit mass, < n A >more » in the capture cross section is calculated and related to the underlying cross section correlation function and found to be < n A > = 3/(π√2γ A), where γ A is a characteristic mass correlation width which designates the degree of remnant coherence in the system. Finally, we trace this coherence to nucleosynthesis which produced the nuclei whose neutron capture cross sections are considered here.« less

Photodissociation of anisole and absolute photoionization cross-section of the phenoxy radical.

PubMed

Xu, Hong; Pratt, S T

2013-11-21

We have studied the photodissociation dynamics of anisole (C6H5OCH3) at 193 nm and determined the absolute photoionization cross-section of the phenoxy radical at 118.2 nm (10.486 eV) relative to the known cross-section of the methyl radical. Even at this energy, there is extensive fragmentation of the phenoxy radical upon photoionization, which is attributed to ionizing transitions that populate low-lying excited electronic states of the cation. For phenoxy radicals with less than ∼1 eV of internal energy, we find a cross-section for the production of the phenoxy cation of 14.8 ± 3.8 Mb. For radicals with higher internal energy, dissociative ionization is the dominant process, and for internal energies of ∼2.7-3.7 eV, we find a total cross-section (photoionization plus dissociative ionization) of 22.3 ± 4.1 Mb. The results are discussed relative to the recently reported photoionization cross-section of phenol.

Electron-impact total ionization cross sections of DNA sugar-phosphate backbone and an additivity principle

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Dateo, Christopher E.

2005-01-01

The improved binary-encounter dipole (iBED) model [W.M. Huo, Phys. Rev. A64, 042719-1 (2001)l is used to study the total ionization cross sections of the DNA sugar-phosphate backbone by electron impact. Calculations using neutral fragments found that the total ionization cross sections of C3' - and C5', -deoxyribose-phospate, two conformers of the sugar-phosphate backbone, are close to each other. Furthermore, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3' - and C5" -deoxyribose-phospate cross sections, differing by less than 10%. The result implies that certain properties of the-DNA, like the total singly ionization cross section, are localized properties and a building-up or additivity principle may apply. This allows us to obtain accurate properties of larger molecular systems built up from the results of smaller subsystem fragments. Calculations are underway using a negatively charged sugar-phosphate backbone with a metal counter-ion.

How to Use Benchmark and Cross-section Studies to Improve Data Libraries and Models

NASA Astrophysics Data System (ADS)

Wagner, V.; Suchopár, M.; Vrzalová, J.; Chudoba, P.; Svoboda, O.; Tichý, P.; Krása, A.; Majerle, M.; Kugler, A.; Adam, J.; Baldin, A.; Furman, W.; Kadykov, M.; Solnyshkin, A.; Tsoupko-Sitnikov, S.; Tyutyunikov, S.; Vladimirovna, N.; Závorka, L.

2016-06-01

Improvements of the Monte Carlo transport codes and cross-section libraries are very important steps towards usage of the accelerator-driven transmutation systems. We have conducted a lot of benchmark experiments with different set-ups consisting of lead, natural uranium and moderator irradiated by relativistic protons and deuterons within framework of the collaboration “Energy and Transmutation of Radioactive Waste”. Unfortunately, the knowledge of the total or partial cross-sections of important reactions is insufficient. Due to this reason we have started extensive studies of different reaction cross-sections. We measure cross-sections of important neutron reactions by means of the quasi-monoenergetic neutron sources based on the cyclotrons at Nuclear Physics Institute in Řež and at The Svedberg Laboratory in Uppsala. Measurements of partial cross-sections of relativistic deuteron reactions were the second direction of our studies. The new results obtained during last years will be shown. Possible use of these data for improvement of libraries, models and benchmark studies will be discussed.

Statistical Features of the Thermal Neutron Capture Cross Sections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hussein, M. S.; Carlson, B. V.; Kerman, A. K.

In this paper, we discuss the existence of huge thermal neutron capture cross sections in several nuclei. The values of the cross sections are several orders of magnitude bigger than expected at these very low energies. We lend support to the idea that this phenomenon is random in nature and is similar to what we have learned from the study of parity violation in the actinide region. The idea of statistical doorways is advanced as a unified concept in the delineation of large numbers in the nuclear world. The average number of maxima per unit mass, < n A >more » in the capture cross section is calculated and related to the underlying cross section correlation function and found to be < n A > = 3/(π√2γ A), where γ A is a characteristic mass correlation width which designates the degree of remnant coherence in the system. Finally, we trace this coherence to nucleosynthesis which produced the nuclei whose neutron capture cross sections are considered here.« less

Proton Magnetic Form Factor from Existing Elastic e-p Cross Section Data

NASA Astrophysics Data System (ADS)

Ou, Longwu; Christy, Eric; Gilad, Shalev; Keppel, Cynthia; Schmookler, Barak; Wojtsekhowski, Bogdan

2015-04-01

The proton magnetic form factor GMp, in addition to being an important benchmark for all cross section measurements in hadron physics, provides critical information on proton structure. Extraction of GMp from e-p cross section data is complicated by two-photon exchange (TPE) effects, where available calculations still have large theoretical uncertainties. Studies of TPE contributions to e-p scattering have observed no nonlinear effects in Rosenbluth separations. Recent theoretical investigations show that the TPE correction goes to 0 when ɛ approaches 1, where ɛ is the virtual photon polarization parameter. In this talk, existing e-p elastic cross section data are reanalyzed by extrapolating the reduced cross section for ɛ approaching 1. Existing polarization transfer data, which is supposed to be relatively immune to TPE effects, are used to produce a ratio of electric and magnetic form factors. The extrapolated reduced cross section and polarization transfer ratio are then used to calculate GEp and GMp at different Q2 values.

First measurement of the muon antineutrino double-differential charged-current quasielastic cross section

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A. A.; Brown, B. C.; Bugel, L.; Cheng, G.; Church, E. D.; Conrad, J. M.; Dharmapalan, R.; Djurcic, Z.; Finley, D. A.; Ford, R.; Garcia, F. G.; Garvey, G. T.; Grange, J.; Huelsnitz, W.; Ignarra, C.; Imlay, R.; Johnson, R. A.; Karagiorgi, G.; Katori, T.; Kobilarcik, T.; Louis, W. C.; Mariani, C.; Marsh, W.; Mills, G. B.; Mirabal, J.; Moore, C. D.; Mousseau, J.; Nienaber, P.; Osmanov, B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Ray, H.; Roe, B. P.; Russell, A. D.; Shaevitz, M. H.; Spitz, J.; Stancu, I.; Tayloe, R.; Van de Water, R. G.; Wascko, M. O.; White, D. H.; Wickremasinghe, D. A.; Zeller, G. P.; Zimmerman, E. D.

2013-08-01

The largest sample ever recorded of ν¯μ charged-current quasielastic (CCQE, ν¯μ+p→μ++n) candidate events is used to produce the minimally model-dependent, flux-integrated double-differential cross section (d2σ)/(dTμdcos⁡θμ) for ν¯μ CCQE for a mineral oil target. This measurement exploits the large statistics of the MiniBooNE antineutrino mode sample and provides the most complete information of this process to date. In order to facilitate historical comparisons, the flux-unfolded total cross section σ(Eν) and single-differential cross section (dσ)/(dQ2) on both mineral oil and on carbon are also reported. The observed cross section is somewhat higher than the predicted cross section from a model assuming independently acting nucleons in carbon with canonical form factor values. The shape of the data are also discrepant with this model. These results have implications for intranuclear processes and can help constrain signal and background processes for future neutrino oscillation measurements.

Ab initio Potential-Energy Surfaces and Electron-Spin-Exchange Cross Sections for H-O2 Interactions

NASA Technical Reports Server (NTRS)

Stallcop, James R.; Partridge, Harry; Levin, Eugene

1996-01-01

Accurate quartet- and doublet-state potential-energy surfaces for the interaction of a hydrogen atom and an oxygen molecule in their ground states have been determined from an ab initio calculation using large-basis sets and the internally contracted multireference configuration interaction method. These potential surfaces have been used to calculate the H-O2 electron-spin-exchange cross section; the square root of the cross section (in a(sub 0)), not taking into account inelastic effects, can be obtained approximately from the expressions 2.390E(sup -1/6) and 5.266-0.708 log10(E) at low and high collision energies E (in E(sub h)), respectively. These functional forms, as well as the oscillatory structure of the cross section found at high energies, are expected from the nature of the interaction energy. The mean cross section (the cross section averaged over a Maxwellian velocity distribution) agrees reasonably well with the results of measurements.

Scattering Cross Section of Sound Waves by the Modal Element Method

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1994-01-01

#he modal element method has been employed to determine the scattered field from a plane acoustic wave impinging on a two dimensional body. In the modal element method, the scattering body is represented by finite elements, which are coupled to an eigenfunction expansion representing the acoustic pressure in the infinite computational domain surrounding the body. The present paper extends the previous work by developing the algorithm necessary to calculate the acoustics scattering cross section by the modal element method. The scattering cross section is the acoustical equivalent to the Radar Cross Section (RCS) in electromagnetic theory. Since the scattering cross section is evaluated at infinite distance from the body, an asymptotic approximation is used in conjunction with the standard modal element method. For validation, the scattering cross section of the rigid circular cylinder is computed for the frequency range 0.1 is less than or equal to ka is less than or equal to 100. Results show excellent agreement with the analytic solution.

Total photoionization cross sections of atomic oxygen from threshold to 44.3A

NASA Technical Reports Server (NTRS)

Angel, G. C.; Samson, James A. R.

1987-01-01

The relative cross section of atomic oxygen for the production of singly charged ions has been remeasured in more detail and extended to cover the wavelength range 44.3 to 910.5 A by the use of synchrotron radiation. In addition, the contribution of multiple ionization to the cross sections has been measured allowing total photoionization cross sections to be obtained below 250 A. The results have been made absolute by normalization to previously measured data. The use of synchrotron radiation has enabled measurements of the continuum cross section to be made between the numerous autoionizing resonances that occur near the ionization thresholds. This in turn has allowed a more critical comparison of the various theoretical estimates of the cross section to be made. The series of autoionizing resonances leading to the 4-P state of the oxygen ion have been observed for the first time in an ionization type experiment and their positions compared with both theory and previous photographic recordings.

Status of the R-matrix Code AMUR toward a consistent cross-section evaluation and covariance analysis for the light nuclei

NASA Astrophysics Data System (ADS)

Kunieda, Satoshi

2017-09-01

We report the status of the R-matrix code AMUR toward consistent cross-section evaluation and covariance analysis for the light-mass nuclei. The applicable limit of the code is extended by including computational capability for the charged-particle elastic scattering cross-sections and the neutron capture cross-sections as example results are shown in the main texts. A simultaneous analysis is performed on the 17O compound system including the 16O(n,tot) and 13C(α,n)16O reactions together with the 16O(n,n) and 13C(α,α) scattering cross-sections. It is found that a large theoretical background is required for each reaction process to obtain a simultaneous fit with all the experimental cross-sections we analyzed. Also, the hard-sphere radii should be assumed to be different from the channel radii. Although these are technical approaches, we could learn roles and sources of the theoretical background in the standard R-matrix.

Changes in channel geometry of six eruption-affected tributaries of the Lewis River, 1980-82, Mount St. Helens, Washington

USGS Publications Warehouse

Martinson, H.A.; Finneran, S.D.; Topinka, L.J.

1984-01-01

The May 18, 1980, eruption of Mount St. Helens generated a lateral blast, lahars and tephra deposits that altered tributary channels in the Lewis River drainage basin. In order to assess potential flood hazards, study channel adjustments, and construct a sediment budget for the perturbed drainages on the east and southeast flanks of the volcano, channel cross sections were monumented and surveyed on Pine Creek, Muddy River, and Smith Creek during September and October of 1980. Additional cross sections were monumented and surveyed on Swift Creek, Bean Creek, and Clearwater Creek during the summer of 1981. The network of 88 channel cross sections has been resurveyed annually. Selected cross sections have been surveyed more frequently, following periods of higher flow. The repetitive cross-section surveys provide measurements of bank erosion or accretion and of channel erosion or aggradation. The report presents channel cross-section profiles constructed from the survey data collected during water years 1980-82. (USGS)

Temperature- and pressure-dependent absorption cross sections of gaseous hydrocarbons at 3.39 µm

NASA Astrophysics Data System (ADS)

Klingbeil, A. E.; Jeffries, J. B.; Hanson, R. K.

2006-07-01

The pressure- and temperature-dependent absorption cross sections of several neat hydrocarbons and multi-component fuels are measured using a 3.39 µm helium-neon laser. Absorption cross section measurements are reported for methane, ethylene, propane, n-heptane, iso-octane, n-decane, n-dodecane, JP-10, gasoline and jet-A with an estimated uncertainty of less than 3.5%. The experimental conditions range from 298 to 673 K and from 500 to 2000 Torr with nitrogen as the bath gas. An apparatus is designed to facilitate these measurements, and specific care is taken to ensure the compositional accuracy of the hydrocarbon/N2 mixtures. The absorption cross sections of the smallest hydrocarbons, methane and ethylene, vary with temperature and pressure. The cross sections of larger hydrocarbons show negligible dependence on pressure and only a weak dependence on temperature. The reported data increase the range of conditions and the number of hydrocarbons for which cross section measurements are available at the HeNe laser wavelength.

54Fe neutron elastic and inelastic scattering differential cross sections from 2-6 MeV

NASA Astrophysics Data System (ADS)

Vanhoy, J. R.; Liu, S. H.; Hicks, S. F.; Combs, B. M.; Crider, B. P.; French, A. J.; Garza, E. A.; Harrison, T.; Henderson, S. L.; Howard, T. J.; McEllistrem, M. T.; Nigam, S.; Pecha, R. L.; Peters, E. E.; Prados-Estévez, F. M.; Ramirez, A. P. D.; Rice, B. G.; Ross, T. J.; Santonil, Z. C.; Sidwell, L. C.; Steves, J. L.; Thompson, B. K.; Yates, S. W.

2018-04-01

Measurements of neutron elastic and inelastic scattering cross sections from 54Fe were performed for nine incident neutron energies between 2 and 6 MeV. Measured differential scattering cross sections are compared to those from previous measurements and the ENDF, JENDL, and JEFF data evaluations. TALYS calculations were performed and modifications of the default parameters are found to better describe the experimental cross sections. A spherical optical model treatment is generally adequate to describe the cross sections in this energy region; however, in 54Fe the direct coupling is found to increase suddenly above 4 MeV and requires an increase in the DWBA deformation parameter by approximately 25%. This has little effect on the elastic scattering differential cross sections but makes a significant improvement in both the strength and shape of the inelastic scattering angular distribution, which are found to be very sensitive to the size and extent of the surface absorption region.

Extrinsic extinction cross-section in the multiple acoustic scattering by fluid particles

NASA Astrophysics Data System (ADS)

Mitri, F. G.

2017-04-01

Cross-sections (and their related energy efficiency factors) are physical parameters used in the quantitative analysis of different phenomena arising from the interaction of waves with a particle (or multiple particles). Earlier works with the acoustic scattering theory considered such quadratic (i.e., nonlinear) quantities for a single scatterer, although a few extended the formalism for a pair of scatterers but were limited to the scattering cross-section only. Therefore, the standard formalism applied to viscous particles is not suitable for the complete description of the cross-sections and energy balance of the multiple-particle system because both absorption and extinction phenomena arise during the multiple scattering process. Based upon the law of the conservation of energy, this work provides a complete comprehensive analysis for the extrinsic scattering, absorption, and extinction cross-sections (i.e., in the far-field) of a pair of viscous scatterers of arbitrary shape, immersed in a nonviscous isotropic fluid. A law of acoustic extinction taking into consideration interparticle effects in wave propagation is established, which constitutes a generalized form of the optical theorem in multiple scattering. Analytical expressions for the scattering, absorption, and extinction cross-sections are derived for plane progressive waves with arbitrary incidence. The mathematical expressions are formulated in partial-wave series expansions in cylindrical coordinates involving the angle of incidence, the addition theorem for the cylindrical wave functions, and the expansion coefficients of the scatterers. The analysis shows that the multiple scattering cross-section depends upon the expansion coefficients of both scatterers in addition to an interference factor that depends on the interparticle distance. However, the extinction cross-section depends on the expansion coefficients of the scatterer located in a particular system of coordinates, in addition to the interference term. Numerical examples illustrate the analysis for two viscous fluid circular cylindrical cross-sections immersed in a non-viscous fluid. Computations for the (non-dimensional) scattering, absorption, and extinction cross-section factors are performed with particular emphasis on varying the angle of incidence, the interparticle distance, and the sizes, and the physical properties of the particles. A symmetric behavior is observed for the dimensionless multiple scattering cross-section, while asymmetries arise for both the dimensionless absorption and extinction cross-sections with respect to the angle of incidence. The present analysis provides a complete analytical and computational method for the prediction of cross-section and energy efficiency factors in multiple acoustic scattering of plane waves of arbitrary incidence by a pair of scatterers. The results can be used as a priori information in the direct or inverse characterization of multiple scattering systems such as acoustically engineered fluid metamaterials with reconfigurable periodicities, cloaking devices, liquid crystals, and other applications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Ruiter, Graham; Carsch, Kurtis M.; Gul, Sheraz

In this paper, we report the synthesis, characterization, and reactivity of [LFe 3(PhPz) 3OMn( sPhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene–metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2Fe IIMn II vs. Fe III 3Mn II) influence oxygen atom transfer in tetranuclear Fe 3Mn clusters. Finally, in particular, a one-electron redox change atmore » a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude.« less

Antenna Calibration and Measurement Equipment

NASA Technical Reports Server (NTRS)

Rochblatt, David J.; Cortes, Manuel Vazquez

2012-01-01

A document describes the Antenna Calibration & Measurement Equipment (ACME) system that will provide the Deep Space Network (DSN) with instrumentation enabling a trained RF engineer at each complex to perform antenna calibration measurements and to generate antenna calibration data. This data includes continuous-scan auto-bore-based data acquisition with all-sky data gathering in support of 4th order pointing model generation requirements. Other data includes antenna subreflector focus, system noise temperature and tipping curves, antenna efficiency, reports system linearity, and instrument calibration. The ACME system design is based on the on-the-fly (OTF) mapping technique and architecture. ACME has contributed to the improved RF performance of the DSN by approximately a factor of two. It improved the pointing performances of the DSN antennas and productivity of its personnel and calibration engineers.

Bioorganometallic chemistry. 5. Molecular recognition of aromatic amino acid guests by Cp{sup *} Rh-nucleobase/nucleoside/nucleotide cyclic trimer hosts in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, H.; Maestre, M.F.; Fish, R.H.

We report what we believe is the first example of bioorganometallic hosts, 1-4, [Cp{sup *}Rh(9-methyladenine)]{sub 3}(OTf){sub 3} (1), [Cp{sup *}Rh(Me-5`-AMP)]{sub 3} (4), being able to recognize aromatic amino acid guests L-tryptophan (L-Trp) and L-phenylalanine (L-Phe) in aqueous media at pH 7. Results show that the molecular recognition of aromatic amino acids with bioorganometallic hosts 1-4 in aqueous solution, as studied by {sup 1}H NMR and NOE techniques, occurs predominately via a {pi}-{pi} interaction, and, in the case of L-Trp, additional electronic/hydrophobic interactions with hosts are possible. 7 refs., 1 fig., 1 tab.

Wavefront sensor-driven variable-geometry pupil for ground-based aperture synthesis imaging

NASA Astrophysics Data System (ADS)

Tyler, David W.

2000-07-01

I describe a variable-geometry pupil (VGP) to increase image resolution for ground-based near-IR and optical imaging. In this scheme, a curvature-type wavefront sensor provides an estimate of the wavefront curvature to the controller of a high-resolution spatial light modulator (SLM) or micro- electromechanical (MEM) mirror, positioned at an image of the telescope pupil. This optical element, the VGP, passes or reflects the incident beam only where the wavefront phase is sufficiently smooth, viz., where the curvature is sufficiently low. Using a computer simulation, I show the VGP can sharpen and smooth the long-exposure PSF and increase the OTF SNR for tilt-only and low-order AO systems, allowing higher resolution and more stable deconvolution with dimmer AO guidestars.

Endoanal MRI of the anal sphincter complex: correlation with cross-sectional anatomy and histology.

PubMed Central

Hussain, S M; Stoker, J; Zwamborn, A W; Den Hollander, J C; Kuiper, J W; Entius, C A; Laméris, J S

1996-01-01

The purpose of this study was to correlate the in vivo endoanal MRI findings of the anal sphincter with the cross-sectional anatomy and histology. Fourteen patients with rectal tumours were examined with a rigid endoanal MR coil before undergoing abdominoperineal resection. In addition, 12 cadavers were used to obtain cross-sectional anatomical sections. The images were correlated with the histology and anatomy of the resected rectal specimens as well as with the cross-sectional anatomical sections of the 12 cadavers. The findings in 8 patients, 11 rectal preparations, and 10 cadavers, could be compared. In these cases, there was an excellent correlation between endoanal MRI and the cross-sectional cadaver anatomy and histology. With endoanal MRI, all muscle layers of the anal canal wall, comprising the internal anal sphincter, longitudinal muscle, the external anal sphincter and the puborectalis muscle were clearly visible. The levator ani muscle and ligamentous attachments were also well demonstrated. The perianal anatomical spaces, containing multiple septae, were clearly visible. In conclusion, endoanal MRI is excellent for visualising the anal sphincter complex and the findings show a good correlation with the cross-sectional anatomy and histology. Images Fig. 1 Fig. 2 PMID:8982844

Characterising the Structure of Molecular Clouds

NASA Astrophysics Data System (ADS)

Wong, Graeme Francis

The Interstellar Medium contains the building blocks of matter in our Galaxy and plays a vital role in the evolution of low mass star formation. The poorly studied molecular clouds of Lupus and Chamaeleon contain ongoing low mass star formation, and are in close proximity to our Solar System. While on the other hand the Carina molecular cloud, poorly observed in radio wavelength, is an active region of star formation and host some of the brightest stars known within our Galaxy. Using tracers like carbon monoxide, atomic neutral carbon, and ammonia, we are able to measure the temperature and density of the gas cloud. This information allows us to understand the initial conditions of the formation of low mass stars. Observations conducted with the 22-m Mopra radio telescope (located at the edge of the Warrumbungle Mountains near Coonabarabran), in the Carbon monoxide (CO) isotopologues 12 CO, 13 CO, C17O, and C18O (1-0) transitions, have mapped the Chamaeleon II cloud, an intermediate mass cloud within the Chamaeleon. Through the sub-arcminute maps, comparisons have been made to previous low resolution (2.5') maps which have been to resolve some of the dense clumps previously identified. Optical depth, column density, and excitation temperature derived from the CO maps, are consistent with previous results. A detailed comparison between identified C18O clumps have shown the different conditions occurring within the clumps, some of which contain or are located near a population of young stellar objects. The Northern region of the Carina Nebular Complex, was observed with NANTEN2, a 4-m radio telescope (located in the Chilean Atacama desert), in the 12CO (4-3) and [C I] 3P1-3P0 emission lines. Previous observations towards this region has either been at poor resolution or had limited coverage. The presented observations, strike a balance between the two; observing in sub-arcmin resolution (0.6') and with an area of 0.9° X 0.5° mapped. Excitation temperature of the 12CO (4-3) and column density of [C I] 3P1-3P0 have been derived. Discussions have been made of the complex morphology of the Northern Carina Nebular Complex region, compared to optical features, and supported the assertion of the HII region (Car I) expanding into the molecular cloud. The selected areas within the Lupus molecular clouds (regions I, III and IV) were observed with the DSS43 (also known as Tid-70m), the largest steerable single dish radio telescope (70-m) in the Southern Hemisphere located at Canberra Deep Space Communication Complex (CDSCC) near Canberra, in the ammonia transitions (1,1) and (2,2). Due to the observation modes and limited amount of time available for the Astronomical community, the targeted areas were mapped in a series of position-switching strips. Column density, kinetic and rotation temperatures were derived, which were compared and analysed to low-resolution maps towards the dense clumps. As Tid-70m had limited observing capabilities, this project has been able to improve the observation capabilities by implementing on-the-fly (OTF) mapping. With its size and unique capabilities, implementing OTF mapping will increase the efficiency of observations. Test observations were carried out towards the well known sources of Orion A, and Sagittarius A through the newly implemented OTF observing mode. Analysis and comparison of Orion A and Sagittarius A, shows consistency with the new maps produced.

Measurement of the 242Pu neutron capture cross section

NASA Astrophysics Data System (ADS)

Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; Bucher, B.; Bredeweg, T. A.; Baramsai, B.; Couture, A.; Jandel, M.; Mosby, S.; O'Donnell, J. M.; Ullmann, J. L.; Chyzh, A.; Dance Collaboration

2015-10-01

Precision (n,f) and (n, γ) cross sections are important for the network calculations of the radiochemical diagnostic chain for the U.S. DOE's Stockpile Stewardship Program. 242Pu(n, γ) cross section is relevant to the network calculations of Pu and Am. Additionally, new reactor concepts have catalyzed considerable interest in the measurement of improved cross sections for neutron-induced reactions on key actinides. To date, little or no experimental data has been reported on 242Pu(n, γ) for incident neutron energy below 50 keV. A new measurement of the 242Pu(n, γ) reaction was performed with the DANCE together with an improved PPAC for fission-fragment detection at LANSCE during FY14. The relative scale of the 242Pu(n, γ) cross section spans four orders of magnitude for incident neutron energies from thermal to ~ 30 keV. The absolute scale of the 242Pu(n, γ) cross section is set according to the measured 239Pu(n,f) resonance at 7.8 eV; the target was spiked with 239Pu for this measurement. The absolute 242Pu(n, γ) neutron capture cross section is ~ 30% higher than the cross section reported in ENDF for the 2.7 eV resonance. Latest results to be reported. Funded by U.S. DOE Contract No. DE-AC52-07NA27344 (LLNL) and DE-AC52-06NA25396 (LANL). U.S. DOE/NNSA Office of Defense Nuclear Nonproliferation Research and Development. Isotopes (ORNL).

Measurement of Neutrino and Antineutrino Total Charged-Current Cross Sections on Carbon with MINERvA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Lu

This thesis presents a measurement of charged-current inclusive cross sections of muon neutrino and antineutrino interaction on carbon, and antineutrino to neutrino cross section ratio, r, in the energy range 2 - 22 GeV, with data collected in the MINERA experiment. The dataset corresponds to an exposure of 3.2 x 10 20 protons on target (POT) for neutrinos and 1.01020 POT for antineutrinos. Measurement of neutrino and antineutrino charged-current inclusive cross sections provides essential constraints for future long baseline neutrino oscillation experiment at a few GeV energy range. Our measured antineutrino cross section has an uncertainty in the range 6.1%more » - 10.5% and is the most precise measurement below 6 GeV to date. The measured r has an uncertainty of 5.0% - 7.5%. This is the rst measurement below 6 GeV since Gargamelle in 1970s. The cross sections are measured as a function of neutrino energy by dividing the eciency corrected charged-current sample with extracted uxes. Fluxes are obtained using the low- method, which uses low hadronic energy subsamples of charged-current inclusive sample to extract ux. Measured cross sections show good agreement with the prediction of neutrino interaction models above 7 GeV, and are about 10% below the model below 7 GeV. The measured r agrees with the GENIE model [1] over the whole energy region. The measured cross sections and r are compared with world data.« less

Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution.

PubMed

Young, Meggie N; Bleiholder, Christian

2017-04-01

Structure elucidation by ion mobility spectrometry-mass spectrometry methods is based on the comparison of an experimentally measured momentum transfer cross-section to cross-sections calculated for model structures. Thus, it is imperative that the calculated cross-section must be accurate. However, it is not fully understood how important it is to accurately model the charge distribution of an analyte ion when calculating momentum transfer cross-sections. Here, we calculate and compare momentum transfer cross-sections for carbon clusters that differ in mass, charge state, and mode of charge distribution, and vary temperature and polarizability of the buffer gas. Our data indicate that the detailed distribution of the ion charge density is intimately linked to the contribution of glancing collisions to the momentum transfer cross-section. The data suggest that analyte ions with molecular mass ~3 kDa or momentum transfer cross-section 400-500 Å 2 would be significantly influenced by the charge distribution in nitrogen buffer gas. Our data further suggest that accurate structure elucidation on the basis of IMS-MS data measured in nitrogen buffer gas must account for the molecular charge distribution even for systems as large as C 960 (~12 kDa) when localized charges are present and/or measurements are conducted under cryogenic temperatures. Finally, our data underscore that accurate structure elucidation is unlikely if ion mobility data recorded in one buffer gas is converted into other buffer gases when electronic properties of the buffer gases differ. Graphical Abstract ᅟ.

Photoionization research on atomic beams. 2: The photoionization cross section of atomic oxygen

NASA Technical Reports Server (NTRS)

Comes, F. J.; Speier, F.; Elzer, A.

1982-01-01

An experiment to determine the absolute value of the photo-ionization cross section of atomic oxygen is described. The atoms are produced in an electrical discharge in oxygen gas with 1% hydrogen added. In order to prevent recombination a crossed beam technique is employed. The ions formed are detected by a time-of-flight mass spectrometer. The concentration of oxygen atoms in the beam is 57%. The measured photoionization cross section of atomic oxygen is compared with theoretical data. The results show the participation of autoionization processes in ionization. The cross section at the autoionizing levels detected is considerably higher than the absorption due to the unperturbed continuum. Except for wavelengths where autoionization occurs, the measured ionization cross section is in fair agreement with theory. This holds up to 550 A whereas for shorter wavelengths the theoretical values are much higher.

Theoretical nuclear database for high-energy, heavy-ion (HZE) transport

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Cucinotta, F. A.; Wilson, J. W.

1995-01-01

Theoretical methods for estimating high-energy, heavy-ion (HZE) particle absorption and fragmentation cross-sections are described and compared with available experimental data. Differences between theory and experiment range from several percent for absorption cross-sections up to about 25%-50% for fragmentation cross-sections.

Integral cross sections for the direct excitation of the A 3 (sigma) u +, B 3 (pi) g, W 3 (delta) u, B' 3 (sigma) u -, a' 1 (sigma) u -, a 1 (pi) g, w 1 (delta) u, and C 3 (pi) u electronic states in

NASA Technical Reports Server (NTRS)

Johnson, P. V.; Malone, C. P.; Kanik, I.

2005-01-01

Integral cross sections for electron impact excitation out of the ground state (X 1(sigma)g +) to the A 3(sigma)u +, B 3(pi)g, W 3(delta)u, B' 3(sigma)u -, a' 1(sigma)u -, a 1(pi)g, w 1(delta)u, and states in N2 are reported at incident energies ranging between 10 and 100 eV. These data have been derived by integrating differential cross sections previously reported by this group. New differential cross section measurements for the a 1(pi)g state at 200 eV are also presented to extend the range of the reported integral cross sections for this state, which is responsible for the emissions of the Lyman-Birge-Hopfield band system (a 1(pi)g (rightwards arrow) X 1(sigma)g +). The present results are compared and critically evaluated against existing cross sec In general, the present cross sections are smaller than previous results at low impact energies from threshold through the excitation function peak regions. These lower cross sections have potentially significant implications on our understanding of UV emissions in the atmospheres of Earth and Titan.

An alternative simple method for preparing and preserving cross-section of leaves and roots in herbaceous plants: Case study in Orchidaceae

NASA Astrophysics Data System (ADS)

Metusala, D.

2017-07-01

This alternative method provides a simple and faster procedure for preparing cross-sections of leaves and roots in herbaceous plants, especially for living specimens of orchids (Orchidaceae). This method used a clamp-on hand sliding microtome to make cross-sections of leaves and roots, with sections preserved inside the microtubes containing preservation liquid. This preservation technique allowed the sections to be restained and to be used for further usage in future. This method was more practical than the paraffin embedding method because it does not need the additional steps of paraffin embedding and deparaffinization. It may also provide better cross-section results than free-hand sectioning method. The procedure is very feasible and is recommended for use in plant anatomy observation.

A Spine Loading Model of Women in the Military

DTIC Science & Technology

1999-10-01

Table 1.8. Left erector spinae anatomical cross-sectional areas ..................................... 42 Table 1.9. Right rectus abdominis anatomical...cross-sectional areas ................................ 43 Table 1.10. Left rectus abdominis anatomical cross-sectional areas...Right rectus abdominis coronal plane moment-arms ....................................... 59 Table 1.26. Left rectus abdominis coronal plane moment-arms

Is e+e- pair emission important in the determination of the 3He+4He S factor?

NASA Astrophysics Data System (ADS)

Snover, K. A.; Hurd, A. E.

2003-05-01

We show that the cross section for direct E0 pair emission is related to the cross section for direct E2 photon emission, and is a negligible contribution to the total capture cross section for 3He+4He→7Be. E0 resonance emission, E1 pair emission, and internal conversion are also negligible. Thus there cannot be significant contributions to the 3He+4He→7Be capture cross section at low energies from electromagnetic emission processes other than single photon emission.

CC, CS, and IOS generalized phenomenological cross sections for atom--diatom mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fitz, D.E.; Kouri, D.J.; Evans, D.

1981-05-01

Close coupled expressions for phenomenological cross sections which describe transport properties of atom--diatom mixtures are obtained in the total-J coupling scheme and are related to the bracket integrals of kinetic theory. Coupled states and infinite order sudden expressions for the generalized phenomenological cross sections using initial, final, and average l-labeling are also given. Particular care is taken to use a phase convention for the CS and IOS approximations which is consistent with the Arthurs--Dalgarno formalism and which gives the correct behavior of degeneracy averaged differential cross sections.

Target correlation effects on neutron-nucleus total, absorption, and abrasion cross sections

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.

1991-01-01

Second order optical model solutions to the elastic scattering amplitude were used to evaluate total, absorption, and abrasion cross sections for neutron nucleus scattering. Improved agreement with experimental data for total and absorption cross sections is found when compared with first order (coherent approximation) solutions, especially below several hundred MeV. At higher energies, the first and second order solutions are similar. There are also large differences in abrasion cross section calculations; these differences indicate a crucial role for cluster knockout in the abrasion step.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko

We present the cross-section for the threshold production of the Higgs boson at hadron-colliders at next-to-next-to-next-to-leading order (N 3LO) in perturbative QCD. Furthermore, we present an analytic expression for the partonic cross-section at threshold and the impact of these corrections on the numerical estimates for the hadronic cross-section at the LHC. With this result we achieve a major milestone towards a complete evaluation of the cross-section at N 3LO which will reduce the theoretical uncertainty in the determination of the strengths of the Higgs boson interactions.

Divergence of the total cross section for three body rearrangement collisions with coulomb interactions

NASA Technical Reports Server (NTRS)

Omidvar, K.

1972-01-01

Three charged particles 1, 2, 3 collide according to the reaction 1+(2+3) yields (1+3)+2, where (2+3) and (1+3) are hydrogenlike bound states. It is shown when (1+3) is in a highly excited state n, due to the repulsive potential, the cross section in the first Born approximation behaves as 1/n which makes the total cross section to diverge like ln n. The total cross sections in the higher orders of the Born approximation are similarly divergent logarithmically.

Cross-Section Parameterizations for Pion and Nucleon Production From Negative Pion-Proton Collisions

NASA Technical Reports Server (NTRS)

Norbury, John W.; Blattnig, Steve R.; Norman, Ryan; Tripathi, R. K.

2002-01-01

Ranft has provided parameterizations of Lorentz invariant differential cross sections for pion and nucleon production in pion-proton collisions that are compared to some recent data. The Ranft parameterizations are then numerically integrated to form spectral and total cross sections. These numerical integrations are further parameterized to provide formula for spectral and total cross sections suitable for use in radiation transport codes. The reactions analyzed are for charged pions in the initial state and both charged and neutral pions in the final state.

Modeled Neutron Induced Nuclear Reaction Cross Sections for Radiochemsitry in the region of Thulium, Lutetium, and Tantalum I. Results of Built in Spherical Symmetry in a Deformed Region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffman, R. D.

2013-09-06

We have developed a set of modeled nuclear reaction cross sections for use in radiochemical diagnostics. Systematics for the input parameters required by the Hauser-Feshbach statistical model were developed and used to calculate neutron induced nuclear reaction cross sections for targets ranging from Terbium (Z = 65) to Rhenium (Z = 75). Of particular interest are the cross sections on Tm, Lu, and Ta including reactions on isomeric targets.

Stability of fluidization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gel'perin, N.I.; Ainshtein, V.G.; Nosova, V.V.

1983-01-01

The purpose of this article is to ascertain the reasons for the appearance of stagnant zones in a fluidized bed. Analyzed is the state of a hypothetical bed without the supporting gas distribution grate with fluctuations in the local velocities w of fluidizing agent in its cross sections in relation to the average value wav. It assumes that at any instant the distribution of the fluidizing agent over the bed cross section is inhomogeneous. As the local velocities and dimensions increase and the effective cross section of the grate decreases, the apparatus cross section regularly increases.

Exact Doppler broadening of tabulated cross sections. [SIGMA 1 kernel broadening method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cullen, D.E.; Weisbin, C.R.

1976-07-01

The SIGMA1 kernel broadening method is presented to Doppler broaden to any required accuracy a cross section that is described by a table of values and linear-linear interpolation in energy-cross section between tabulated values. The method is demonstrated to have no temperature or energy limitations and to be equally applicable to neutron or charged-particle cross sections. The method is qualitatively and quantitatively compared to contemporary approximate methods of Doppler broadening with particular emphasis on the effect of each approximation introduced.

Capture cross sections on unstable nuclei

NASA Astrophysics Data System (ADS)

Tonchev, A. P.; Escher, J. E.; Scielzo, N.; Bedrossian, P.; Ilieva, R. S.; Humby, P.; Cooper, N.; Goddard, P. M.; Werner, V.; Tornow, W.; Rusev, G.; Kelley, J. H.; Pietralla, N.; Scheck, M.; Savran, D.; Löher, B.; Yates, S. W.; Crider, B. P.; Peters, E. E.; Tsoneva, N.; Goriely, S.

2017-09-01

Accurate neutron-capture cross sections on unstable nuclei near the line of beta stability are crucial for understanding the s-process nucleosynthesis. However, neutron-capture cross sections for short-lived radionuclides are difficult to measure due to the fact that the measurements require both highly radioactive samples and intense neutron sources. Essential ingredients for describing the γ decays following neutron capture are the γ-ray strength function and level densities. We will compare different indirect approaches for obtaining the most relevant observables that can constrain Hauser-Feshbach statistical-model calculations of capture cross sections. Specifically, we will consider photon scattering using monoenergetic and 100% linearly polarized photon beams. Challenges that exist on the path to obtaining neutron-capture cross sections for reactions on isotopes near and far from stability will be discussed.

Electron Bremsstrahlung Cross Sections at 25 and 50 keV from Xe and Kr

NASA Astrophysics Data System (ADS)

Portillo, Salvador; Quarles, C. A.

2002-05-01

Absolute doubly differential bremsstrahlung cross sections for radiation at 90 from 25 and 50 keV electron bombardment of Kr and Xe of will be presented. The electrons were accelerated by a Cockcroft - Walton accelerator into an Al chamber through a .06" Al collimator. Thick target bremsstrahlung background was minimized by having Al nipples and fixtures and by the addition of a carbon lined nipple placed at 180 to the SiLi detector. A comparison of the doubly differential cross sections will be made with current bremsstrahlung theories. The ratio of the Kr and Xe cross sections will also be compared with the theoretical cross section ratios. The ratio provides a more sensitive test of the contribution, if any, of polarization bremsstrahlung.

Electron-Impact Total Ionization Cross Sections of Fluorine Compounds

NASA Astrophysics Data System (ADS)

Kim, Y.-K.; Ali, M. A.; Rudd, M. E.

1997-10-01

A theoretical method called the Binary-Encounter-Bethe (BEB) model(M. A. Ali, Y.-K. Kim, H. Hwang, N. M. Weinberger, and M. E. Rudd, J. Chem. Phys. 106), 9602 (1997), and references therein. that combines the Mott cross section at low incident energies T and the Bethe cross section at high T was applied to fluorine compounds of interest to plasma processing of semiconductors (CF_4, CHF_3, C_2F_6, C_4F_8, etc.). The theory provides total ioniztion cross sections in an analytic form from the threshold to a few keV in T, making it convenient to use the theory for modeling. The theory is particularly effective for closed-shell molecules. The theoretical cross sections are compared to available experimental data.

Cross sections for electron impact excitation of the b 3Sigma(+)u state of H2 - An application of the Schwinger multichannel variational method

NASA Technical Reports Server (NTRS)

Lima, M. A. P.; Gibson, T. L.; Mckoy, V.; Huo, W. M.

1985-01-01

In this and the two accompanying letters, the results of calculations of the cross sections for electron impact excitation of the b 3Sigma(+)u state of H2, for collision energies from near threshold to 30 eV, are presented. These results are obtained using a multichannel extension of the Schwinger variational principle at the two-state level. The quantitative agreement between the integral cross sections of these three studies is very good. Inclusion of correlation terms in the scattering wavefunctions, which relax the orthogonality between bound and continuum orbitals, is seen to affect the cross sections substantially. Although a comparison of these calculated cross sections with available experimental data is encouraging, some seious discrepancies exist.

Cross sections for the γp→K*+Λ and γp→K*+Σ0 reactions measured at CLAS

NASA Astrophysics Data System (ADS)

Tang, W.; Hicks, K.; Keller, D.; Kim, S. H.; Kim, H. C.; Adhikari, K. P.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Baltzell, N. A.; Battaglieri, M.; Bedlinskiy, I.; Biselli, A. S.; Bono, J.; Boiarinov, S.; Briscoe, W. J.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Collins, P.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Doughty, D.; Dupre, R.; Alaoui, A. El; Fassi, L. El; Eugenio, P.; Fedotov, G.; Fegan, S.; Fleming, J. A.; Gabrielyan, M. Y.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Heddle, D.; Ho, D.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jo, H. S.; Joo, K.; Khandaker, M.; Khetarpal, P.; Kim, A.; Kim, W.; Klein, F. J.; Koirala, S.; Kubarovsky, A.; Kubarovsky, V.; Kuleshov, S. V.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mao, Y.; Markov, N.; Martinez, D.; Mayer, M.; McKinnon, B.; Meyer, C. A.; Mokeev, V.; Moutarde, H.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Nepali, C. S.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Park, S.; Pasyuk, E.; Phelps, E.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Rimal, D.; Ritchie, B. G.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seraydaryan, H.; Sharabian, Y. G.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stepanyan, S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Taylor, C. E.; Tian, Ye; Tkachenko, S.; Torayev, B.; Ungaro, M.; Vernarsky, B.; Vlassov, A. V.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Weinstein, L. B.; Weygand, D. P.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2013-06-01

The first high-statistics cross sections for the reactions γp→K*+Λ and γp→K*+Σ0 were measured using the CLAS detector at photon energies between threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. Differential cross sections are presented over the full range of the center-of-mass angles, and then fitted to Legendre polynomials to extract the total cross section. Results for the K*+Λ final state are compared with two different calculations in an isobar and a Regge model, respectively. Theoretical calculations significantly underestimate the K*+Λ total cross sections between 2.1 and 2.6 GeV, but are in better agreement with present data at higher photon energies.

Analysis of multi-fragmentation reactions induced by relativistic heavy ions using the statistical multi-fragmentation model

NASA Astrophysics Data System (ADS)

Ogawa, T.; Sato, T.; Hashimoto, S.; Niita, K.

2013-09-01

The fragmentation cross-sections of relativistic energy nucleus-nucleus collisions were analyzed using the statistical multi-fragmentation model (SMM) incorporated with the Monte-Carlo radiation transport simulation code particle and heavy ion transport code system (PHITS). Comparison with the literature data showed that PHITS-SMM reproduces fragmentation cross-sections of heavy nuclei at relativistic energies better than the original PHITS by up to two orders of magnitude. It was also found that SMM does not degrade the neutron production cross-sections in heavy ion collisions or the fragmentation cross-sections of light nuclei, for which SMM has not been benchmarked. Therefore, SMM is a robust model that can supplement conventional nucleus-nucleus reaction models, enabling more accurate prediction of fragmentation cross-sections.

Fusion cross sections for reactions involving medium and heavy nucleus-nucleus systems

NASA Astrophysics Data System (ADS)

Atta, Debasis; Basu, D. N.

2014-12-01

Existing data on near-barrier fusion excitation functions of medium and heavy nucleus-nucleus systems have been analyzed by using a simple diffused-barrier formula derived assuming the Gaussian shape of the barrier-height distributions. The fusion cross section is obtained by folding the Gaussian barrier distribution with the classical expression for the fusion cross section for a fixed barrier. The energy dependence of the fusion cross section, thus obtained, provides good description to the existing data on near-barrier fusion and capture excitation functions for medium and heavy nucleus-nucleus systems. The theoretical values for the parameters of the barrier distribution are estimated which can be used for fusion or capture cross-section predictions that are especially important for planning experiments for synthesizing new superheavy elements.

Measurement of νμ-induced charged-current neutral pion production cross sections on mineral oil at Eν∈0.5-2.0GeV

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A. A.; Anderson, C. E.; Bazarko, A. O.; Brice, S. J.; Brown, B. C.; Bugel, L.; Cao, J.; Coney, L.; Conrad, J. M.; Cox, D. C.; Curioni, A.; Dharmapalan, R.; Djurcic, Z.; Finley, D. A.; Fleming, B. T.; Ford, R.; Garcia, F. G.; Garvey, G. T.; Grange, J.; Green, C.; Green, J. A.; Hart, T. L.; Hawker, E.; Imlay, R.; Johnson, R. A.; Karagiorgi, G.; Kasper, P.; Katori, T.; Kobilarcik, T.; Kourbanis, I.; Koutsoliotas, S.; Laird, E. M.; Linden, S. K.; Link, J. M.; Liu, Y.; Liu, Y.; Louis, W. C.; Mahn, K. B. M.; Marsh, W.; Mauger, C.; McGary, V. T.; McGregor, G.; Metcalf, W.; Meyers, P. D.; Mills, F.; Mills, G. B.; Monroe, J.; Moore, C. D.; Mousseau, J.; Nelson, R. H.; Nienaber, P.; Nowak, J. A.; Osmanov, B.; Ouedraogo, S.; Patterson, R. B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Prebys, E.; Raaf, J. L.; Ray, H.; Roe, B. P.; Russell, A. D.; Sandberg, V.; Schirato, R.; Schmitz, D.; Shaevitz, M. H.; Shoemaker, F. C.; Smith, D.; Soderberg, M.; Sorel, M.; Spentzouris, P.; Spitz, J.; Stancu, I.; Stefanski, R. J.; Sung, M.; Tanaka, H. A.; Tayloe, R.; Tzanov, M.; van de Water, R. G.; Wascko, M. O.; White, D. H.; Wilking, M. J.; Yang, H. J.; Zeller, G. P.; Zimmerman, E. D.

2011-03-01

Using a custom 3-Čerenkov ring fitter, we report cross sections for νμ-induced charged-current single π0 production on mineral oil (CH2) from a sample of 5810 candidate events with 57% signal purity over an energy range of 0.5-2.0 GeV. This includes measurements of the absolute total cross section as a function of neutrino energy, and flux-averaged differential cross sections measured in terms of Q2, μ- kinematics, and π0 kinematics. The sample yields a flux-averaged total cross section of (9.2±0.3stat±1.5syst)×10-39cm2/CH2 at mean neutrino energy of 0.965 GeV.

Scaling Cross Sections for Ion-atom Impact Ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Igor D. Kaganovich; Edward Startsev; Ronald C. Davidson

2003-06-06

The values of ion-atom ionization cross sections are frequently needed for many applications that utilize the propagation of fast ions through matter. When experimental data and theoretical calculations are not available, approximate formulas are frequently used. This paper briefly summarizes the most important theoretical results and approaches to cross section calculations in order to place the discussion in historical perspective and offer a concise introduction to the topic. Based on experimental data and theoretical predictions, a new fit for ionization cross sections is proposed. The range of validity and accuracy of several frequently used approximations (classical trajectory, the Born approximation,more » and so forth) are discussed using, as examples, the ionization cross sections of hydrogen and helium atoms by various fully stripped ions.« less

Total Electron-Impact Ionization Cross-Sections of CFx and NFx (x = 1 - 3)

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Tarnovsky, Vladimir; Becker, Kurt H.; Kwak, Dochan (Technical Monitor)

2001-01-01

The discrepancy between experimental and theoretical total electron-impact ionization cross sections for a group of fluorides, CFx, and NFx, (x = 1 - 3), is attributed to the inadequacies in previous theoretical models. Cross-sections calculated using a recently developed siBED (simulation Binary-Encounter-Dipole) model that takes into account the shielding of the long-range dipole potential between the scattering electron and target are in agreement with experimentation. The present study also carefully reanalyzed the previously reported experimental data to account for the possibility of incomplete collection of fragment ions and the presence of ion-pair formation channels. For NF3, our experimental and theoretical cross-sections compare well with the total ionization cross-sections recently reported by Haaland et al. in the region below dication formation.

Quantum tunneling resonant electron transfer process in Lorentzian plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Woo-Pyo; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 426-791

The quantum tunneling resonant electron transfer process between a positive ion and a neutral atom collision is investigated in nonthermal generalized Lorentzian plasmas. The result shows that the nonthermal effect enhances the resonant electron transfer cross section in Lorentzian plasmas. It is found that the nonthermal effect on the classical resonant electron transfer cross section is more significant than that on the quantum tunneling resonant charge transfer cross section. It is shown that the nonthermal effect on the resonant electron transfer cross section decreases with an increase of the Debye length. In addition, the nonthermal effect on the quantum tunnelingmore » resonant electron transfer cross section decreases with increasing collision energy. The variation of nonthermal and plasma shielding effects on the quantum tunneling resonant electron transfer process is also discussed.« less

Survival-mediated capture and fusion cross sections for heavy-element synthesis

NASA Astrophysics Data System (ADS)

Yao, L.; Loveland, W.

2018-01-01

The cross section for producing a heavy evaporation residue σEVR in a fusion reaction can be written as a product of three nonseparable factors, i.e., the capture cross section, the fusion probability PCN, and the survival probability Wsur. Each of these factors is dependent on the spin. However, one must remember that the Wsur term is zero or very small for higher spin values, thus effectively limiting the capture and fusion terms. For a series of ˜287 reactions leading to heavy evaporation residues with ZCN≤110 , we point out the implications of this fact for capture cross sections for heavy element formation reactions. From a comparison of calculated and measured evaporation residue cross sections we deduce values of the fusion probability PCN for some of these reactions.

Determination of differential cross sections for electron-impact excitation of electronic states of molecular oxygen

NASA Astrophysics Data System (ADS)

Campbell, L.; Green, M. A.; Brunger, M. J.; Teubner, P. J.; Cartwright, D. C.

2000-02-01

The development and initial results of a method for the determination of differential cross sections for electron scattering by molecular oxygen are described. The method has been incorporated into an existing package of computer programs which, given spectroscopic factors, dissociation energies and an energy-loss spectrum for electron-impact excitation, determine the differential cross sections for each electronic state relative to that of the elastic peak. Enhancements of the original code were made to deal with particular aspects of electron scattering from O2, such as the overlap of vibrational levels of the ground state with transitions to excited states, and transitions to levels close to and above the dissocation energy in the Herzberg and Schumann-Runge continua. The utility of the code is specifically demonstrated for the ``6-eV states'' of O2, where we report absolute differential cross sections for their excitation by 15-eV electrons. In addition an integral cross section, derived from the differential cross section measurements, is also reported for this excitation process and compared against available theoretical results. The present differential and integral cross sections for excitation of the ``6-eV states'' of O2 are the first to be reported in the literature for electron-impact energies below 20 eV.

Photoneutron cross sections for 59Co : Systematic uncertainties of data from various experiments

NASA Astrophysics Data System (ADS)

Varlamov, V. V.; Davydov, A. I.; Ishkhanov, B. S.

2017-09-01

Data on partial photoneutron reaction cross sections (γ ,1n), (γ ,2n), and (γ ,3n) for 59Co obtained in two experiments carried out at Livermore (USA) were analyzed. The sources of radiation in both experiments were the monoenergetic photon beams from the annihilation in flight of relativistic positrons. The total yield was sorted by the neutron multiplicity, taking into account the difference in the neutron energy spectra for different multiplicity. The two quoted studies differ in the method of determining the neutron. Significant systematic disagreements between the results of the two experiments exist. They are considered to be caused by large systematic uncertainties in partial cross sections, since they do not satisfy physical criteria for reliability of the data. To obtain reliable cross sections of partial and total photoneutron reactions a new method combining experimental data and theoretical evaluation was used. It is based on the experimental neutron yield cross section which is rather independent of neutron multiplicity and the transitional neutron multiplicity functions of the combined photonucleon reaction model (CPNRM). The model transitional multiplicity functions were used for the decomposition of the neutron yield cross section into the contributions of partial reactions. The results of the new evaluation noticeably differ from the partial cross sections obtained in the two experimental studies are under discussion.

Relativistic three-dimensional Lippmann-Schwinger cross sections for space radiation applications

NASA Astrophysics Data System (ADS)

Werneth, C. M.; Xu, X.; Norman, R. B.; Maung, K. M.

2017-12-01

Radiation transport codes require accurate nuclear cross sections to compute particle fluences inside shielding materials. The Tripathi semi-empirical reaction cross section, which includes over 60 parameters tuned to nucleon-nucleus (NA) and nucleus-nucleus (AA) data, has been used in many of the world's best-known transport codes. Although this parameterization fits well to reaction cross section data, the predictive capability of any parameterization is questionable when it is used beyond the range of the data to which it was tuned. Using uncertainty analysis, it is shown that a relativistic three-dimensional Lippmann-Schwinger (LS3D) equation model based on Multiple Scattering Theory (MST) that uses 5 parameterizations-3 fundamental parameterizations to nucleon-nucleon (NN) data and 2 nuclear charge density parameterizations-predicts NA and AA reaction cross sections as well as the Tripathi cross section parameterization for reactions in which the kinetic energy of the projectile in the laboratory frame (TLab) is greater than 220 MeV/n. The relativistic LS3D model has the additional advantage of being able to predict highly accurate total and elastic cross sections. Consequently, it is recommended that the relativistic LS3D model be used for space radiation applications in which TLab > 220MeV /n .