Unanticipated guest motion during a phase transition in a ferroelastic inclusion compound.

Science.gov (United States)

Hollingsworth, Mark D; Peterson, Matthew L; Pate, Kevin L; Dinkelmeyer, Brian D; Brown, Michael E

2002-03-13

Urea inclusion compounds (UICs) have been used as tools to understand ferroelastic domain switching and molecular recognition during crystal growth. Although the vast majority of UICs contain helical arrangements of host H-bonds, those containing guests with the formula X(CH(2))(6)Y (X, Y = Br, Cl, CN, NC) adopt an alternative P2(1)/n packing mode in which the host molecules exist as stacked loops of urea hexamers. Such structures may be further separated into two classes, ones distorted away from hexagonal symmetry along [100] (Br(CH(2))(6)Br, Br(CH(2))(6)Cl, and Cl(CH(2))(6)Cl) and those distorted along [001] (e.g. NC(CH(2))(6)CN). In each of these systems, guests exist as equilibrium mixtures of gauche conformers whose populations control the direction and magnitude of the observed distortion. Such UICs are potentially ferroelastic, but the n-glide requires that domains are not related by a simple rotation-translation mechanism as in the helical systems. Ferroelastic (degenerate) domain reorientation would necessitate a large-scale reorganization of the urea framework and rupture of numerous H-bonds. Coupled with distortions of 2 to 10%, this mechanism-based barrier to domain switching has precluded observation of this phenomenon. To prepare ferroelastic UICs with minimal distortions from hexagonal symmetry, attempts were made to form solid solutions of UICs containing guests from the two classes. This failed, however: solid solution formation of the stacked loop form is usually possible within a series (e.g. with Cl(CH(2))(6)Cl and Br(CH(2))(6)Br), but not between series (e.g. Cl(CH(2))(6)Cl and NC(CH(2))(6)CN). Crystals of Cl(CH(2))(6)CN/urea, in which a single guest contains substituents from each class, are distorted along [001] by only 0.5% from hexagonal symmetry at 298 K and exhibit ferroelastic domain reorientation at high forces. At -66 degrees C, Cl(CH(2))(6)CN/urea undergoes a topotactic phase transition that is unexpectedly nontopochemical. The

Electronic and electrochemical properties of platinum(II) and platinum-mercury-carboxylato complexes containing 2-Me2NCH2C6H4, 2,6-(Me2NCH2)2C6H3- and 2-Me2NC6H4CH2 - ligands

NARCIS (Netherlands)

Koten, G. van; Ploeg, A.F.M.J. van der; Schmitz, J.E.J.; Linden, J.G.M. van der

1982-01-01

The organoplatinum(II) compounds [{2, 6-(Me{2}NCH{2}){2}C{6}H{3}}PtBr] and cis-[(C-N){2}Pt] (C-N = 2-Me{2}NCH{2}C{6}H{4}, 2-Me{2}NC{6}H{4}CH{2}) can be chemically irreversibly oxidized in the potential range 1.00 to 1.35 V vs. an Ag/AgCl electrode, whereas the organoplatinum@?mercury complexes

Formation of Nitriles in the Interstellar Medium via Reactions of Cyano Radicals, CN(X2Σ+), with Unsaturated Hydrocarbons

Science.gov (United States)

Balucani, N.; Asvany, O.; Huang, L. C. L.; Lee, Y. T.; Kaiser, R. I.; Osamura, Y.; Bettinger, H. F.

2000-12-01

; since CH3CCH is the common precursor to H2CCCH(CN)/CH3CCCN and the latter isomer has been assigned unambiguously toward TMC-1 and OMC-1, H2CCCH(CN) is strongly expected to be present in both clouds as well. The formation of isonitrile isomers was not observed in our experiments. Since all reactions to HCCNC, C2H3NC, CH3CCNC, H2CCCH(NC), H2CCC(NC)(CH3), and C6H5NC are either endothermic or the exit barrier is well above the energy of the reactants, neutral-neutral reactions of cyano radicals with closed shell unsaturated hydrocarbons cannot synthesize isonitriles in cold molecular clouds. However, in outflow of carbon stars, the enhanced translational energy of both reactants close to the photosphere of the central star can compensate this endothermicity, and isonitriles might be formed in these hotter environments as well.

Origin of selenium–gold interaction in F2CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH3): Synergistic effects

International Nuclear Information System (INIS)

Guo, Xin; Yang, Yu-Ping; Li, Qing-Zhong; Li, Hai-Bei

2016-01-01

Selenium–gold interaction plays an important role in crystal materials, molecular self-assembly, and pharmacochemistry involving gold. In this paper, we unveiled the mechanism and nature of selenium–gold interaction by studying complexes F 2 CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH 3 ). The results showed that the formation of selenium–gold interaction is mainly attributed to the charge transfer from the lone pair of Se atom to the Au—Y anti-bonding orbital. Energy decomposition analysis indicated that the polarization energy is nearly equivalent to or exceeds the electrostatic term in the selenium–gold interaction. Interestingly, the chalcogen–gold interaction becomes stronger with the increase of chalcogen atomic mass in F 2 CX⋯AuCN (X = O, S, Se, and Te). The cyclic ternary complexes are formed with the introduction of NH 3 into F 2 CSe⋯AuY, in which selenium–gold interaction is weakened and selenium–nitrogen interaction is strengthened due to the synergistic effects.

DincRNA: a comprehensive web-based bioinformatics toolkit for exploring disease associations and ncRNA function.

Science.gov (United States)

Cheng, Liang; Hu, Yang; Sun, Jie; Zhou, Meng; Jiang, Qinghua

2018-06-01

DincRNA aims to provide a comprehensive web-based bioinformatics toolkit to elucidate the entangled relationships among diseases and non-coding RNAs (ncRNAs) from the perspective of disease similarity. The quantitative way to illustrate relationships of pair-wise diseases always depends on their molecular mechanisms, and structures of the directed acyclic graph of Disease Ontology (DO). Corresponding methods for calculating similarity of pair-wise diseases involve Resnik's, Lin's, Wang's, PSB and SemFunSim methods. Recently, disease similarity was validated suitable for calculating functional similarities of ncRNAs and prioritizing ncRNA-disease pairs, and it has been widely applied for predicting the ncRNA function due to the limited biological knowledge from wet lab experiments of these RNAs. For this purpose, a large number of algorithms and priori knowledge need to be integrated. e.g. 'pair-wise best, pairs-average' (PBPA) and 'pair-wise all, pairs-maximum' (PAPM) methods for calculating functional similarities of ncRNAs, and random walk with restart (RWR) method for prioritizing ncRNA-disease pairs. To facilitate the exploration of disease associations and ncRNA function, DincRNA implemented all of the above eight algorithms based on DO and disease-related genes. Currently, it provides the function to query disease similarity scores, miRNA and lncRNA functional similarity scores, and the prioritization scores of lncRNA-disease and miRNA-disease pairs. http://bio-annotation.cn:18080/DincRNAClient/. biofomeng@hotmail.com or qhjiang@hit.edu.cn. Supplementary data are available at Bioinformatics online.

Structural studies of precursor and partially oxidized conducting complexes. XIII. A neutron diffraction and x-ray diffuse scattering study of the dimerized platinum chain in rubidium tetracyanoplatinate chloride (2:1:0.3) trihydrate, Rb2[Pt(CN)4]Cl03.3.0H2O

International Nuclear Information System (INIS)

Williams, J.M.; Johnson, P.L.; Schultz, A.J.; Coffey, C.C.

1978-01-01

The crystal structure and molecular formula of the one-dimensional conductor Rb 2 [Pt(CN) 4 ]Cl 0 . 30 . 3.0H 2 O, RbCP(Cl), have been fully characterized using single-crystal neutron diffraction, x-ray diffuse scattering data, and thermogravimetric analysis. RbCP(Cl) is isostructural with KCP(Cl) and KCP(Br) except that only one halide site can be identified. From thermogravimetric analyses RbCP(Cl) is a 3.0 hydrate as is KCP(Br). RbCP(Cl) crystallizes in the tetragonal space group P4mm, with unit cell dimensions a = 10.142 (6) A, c = 5.801 (4) A, V/sub c/ = 596.7 A 3 , and Z = 2. Using x-ray diffuse scattering techniques we have established the Pt oxidation as +2.31 (2) from which the molecular formula Rb 2 [Pt(CN) 4 ]Cl/sub 0.31(2)/ . 3.0H 2 O is obtained. The structure consists of nearly planar Pt(CN) 4 moieties stacked along the c axis forming a perfectly linear Pt-Pt chain. The crystal asymmetric unit contains two independent Pt(CN) 4 1 . 7- groups, two H 2 O sites, one Rb + site, and one Cl - site. The asymmetric ordering of the Rb + ion and the H 2 O molecules constitutes the main source of crystal asymmetry. The two-independent Pt-Pt chain distances are definitely unequal (2.877 (8) and 2.924 (8) A) with the average intrachain separation (2.90 A) being slightly longer than in KCP(Br) (2.88 A) and KCP(Cl) (2.87 A). The replacement of K + by Rb + results in lattice expansion along c, which produces larger Pt-Pt intrachain separations. Thus the unequal and slightly longer Pt-Pt separations in RbCP(Cl), apparently result in increased electron localization along the Pt-atom chain and a concomitant decrease in the electrical conductivity. 10 figures, 3 tables

The effect of Ti(CN/TiNb(CN coating on erosion–corrosion resistance

Directory of Open Access Journals (Sweden)

William Aperador Chaparro

2012-05-01

Full Text Available The goal of this work was to study electrochemical behaviour in corrosion-erosion conditions for Ti(CN/TiNb(CN multilayer coatings having 1, 50, 100, 150 and 200 bilayer periods on AISI 4140 steel substrates by using a multi-target magnetron reactive sputtering device, with an r.f. source (13.56 MHz, two cylindrical magnetron cathodes and two stoichiometric TiC and Nb targets. The multi-layers were evaluated by comparing them to corrosion, erosion and erosion corrosion for a 30º impact angle in a solution of 0.5 M NaCl and silica, analysing the effect of impact angle and the number of bilayers on these coatings’ corrosion resistance. The electrochemical characterisation was performed using electrochemical impedance spectroscopy for analysing corrosion surface; surface morphology was characterised by using a high-resolution scanning electron microscope (SEM. The results showed a de-creased corrosion rate for multilayer systems tested at 30°.

Supramolecular architecture based on [Fe(CN)6]3- metallotectons and melaminium synthons

Science.gov (United States)

Krichen, Firas; Walha, Siwar; Lhoste, Jérôme; Bulou, Alain; Kabadou, Ahlem; Goutenoire, François

2017-10-01

Assembly involving [Fe(CN)6]3- metallotectons as building units and melaminium organic cation has been envisioned in order to elaborate a hybrid supramolecular based on ionic H-bonds with formula {(H-mel)4[Fe(CN)6]Cl} (H-mel+: melaminium cation). The compound has been prepared by diffusion method and characterized by single-crystal X-ray diffraction, EDX analysis, and Raman-IR spectroscopies with assignment from ab initio calculations. The melaminium exhibit self cationic coupling with cyclic hydrogen bonds to give a one dimensional {[H-mel]+}∝ synthon. Therefore, these cationic ribbons are inter-linked via hydrogen bonds by the anionic tectons [Fe(CN)6]3- and chlorine anion resulting on a 3D network. Molecular hirshfeld surfaces revealed that the crystal structure has been supported mainly by Nsbnd H⋯N and Nsbnd H⋯Cl intermolecular Hydrogen bonds and by favoured C⋯C and C⋯N weak interactions.

[Computation of the K+, Na+ and Cl- fluxes through plasma membrane of animal cell with Na+/K+ pump, NKCC, NC cotransporters, and ionic channels with and without non-Goldman rectification in K+ channels. Norma and apoptosis].

Science.gov (United States)

Rubashkin, A A; Iurinskaia, V E; Vereninov, A A

2010-01-01

The balance of K+, Na+ and Cl- fluxes through cell membrane with the Na+/K+ pump, ion channels and NKCC and NC cotransporters is considered. It is shown that all unidirectional K+, Na+ and Cl- fluxes through cell membrane, permeability coefficients of ion channels and membrane potential can be computed for balanced ion distribution between cell and the medium if K+, Na+ and Cl- concentration in cell water and three fluxes are known: total Cl- flux, total K+ influx and ouabain-inhibitable "pump" component of the K+ influx. Changes in the mortovalent ion balance in lymphoid cells U937 induced to apoptosis by 1 microM staurosporine are analyzed as an example. It is found that the apoptotic shift in ion and water balance in studied cells is caused by a decrease in the pump activity which is accompanied by a decrease in the integral permeability of Na+ channels without significant increase in K+ and Cl- channel permeabilities. Computation shows that only a small part of the total fluxes of K+, Na+ and Cl- accounts for the fluxes via NKCC and NC cotransporters. Therefore, cotransport fluxes can not be studied using inhibitors.

A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

International Nuclear Information System (INIS)

Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo

2015-01-01

Highlights: • The CN + C 2 H 4 reaction was investigated in crossed beam experiments. • Electronic structure calculations of the potential energy surface were performed. • RRKM estimates qualitatively reproduce the experimental C 2 H 3 NC yield. - Abstract: The CN + C 2 H 4 reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice–Ramsperger–Kassel–Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH 2 CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C 2 H 3 NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments

Diagnóstico diferencial de colestase neonatal: parâmetros clínicos e laboratoriais Differential diagnosis of neonatal cholestasis: clinical and laboratory parameters

Directory of Open Access Journals (Sweden)

Maria Angela Bellomo-Brandao

2010-02-01

Full Text Available OBJETIVO: Avaliar se os parâmetros clínicos e laboratoriais poderiam auxiliar no diagnóstico diferencial da colestase neonatal (CN intra- e extra-hepática. MÉTODOS: Estudo retrospectivo de pacientes com CN hospitalizados na Clínica de Hepatologia Pediátrica do Hospital de Clínicas da Universidade Estadual de Campinas (UNICAMP, Campinas (SP, entre dezembro de 1980 e março de 2005. A abordagem para o diagnóstico da CN foi padronizada. De acordo com o diagnóstico, os pacientes foram classificados em dois grupos: I (colestase neo natal intra-hepática e II (colestase neonatal extrahepática. Para verificar se havia associação com a variável categórica, os testes de qui-quadrado e Mann-Whitney foram utilizados com correções para idade para a análise de covariância (ANCOVA. A determinação da precisão das variáveis clínicas e laboratoriais para a diferenciação dos grupos foi realizada através da análise da curva ROC. RESULTADOS: Cento e sessenta e oito pacientes foram avaliados (grupo I = 54,8% e grupo II = 45,2%. Nos pacientes com menos de 60 dias de vida, houve predominância de causas intra-hepáticas, enquanto que naqueles com mais de 60 dias, houve predominância de etiologia extrahepática (p OBJECTIVE: To evaluate if clinical and laboratory parameters could assist in the differential diagnosis of intra and extra-hepatic neonatal cholestasis (NC. METHODS: Retrospective study of NC patients admitted at the Pediatric Hepatology Outpatient Clinic of the teaching hospital of Universidade Estadual de Campinas (UNICAMP, Campinas, Brazil, between December 1980 and March 2005. The approach to the diagnosis of NC was standardized. According to diagnosis, patients were classified into two groups: I (intra-hepatic neonatal cholestasis and II (extra-hepatic neonatal cholestasis. In order to verify if there was association with the categorical variable, the chi-square and Mann-Whitney tests were used, with corrections for age for

Physical Properties of (NH4)2Pt(CN)4[Clo.42].3H2O: A new Quasi-One-Dimensional Conductor

DEFF Research Database (Denmark)

Carneiro, Kim; Petersen, A. S.; Underhill, A. E.

1979-01-01

The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest for the the......The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest...

Oxidation of substituted alkyl radicals by IrCl62-, Fe(CN)63-, and MnO4- in aqueous solution. Electron transfer versus chlorine transfer from IrCl62-

International Nuclear Information System (INIS)

Steenken, S.; Neta, P.

1982-01-01

Alkyl radicals substituted at C/sub α/ by alkyl, carboxyl, hydroxyl, alkoxyl, and chlorine react in aqueous solutions with Ir/sup IV/Cl 6 2- to yield Ir(III) species. In the case of substitution by hydroxyl and alkoxyl, the rate constants are in the diffusion-controlled range ((4-6) x 10 9 M -1 s -1 ) and the reaction proceeds by electron transfer. In the case of ethyl, methyl, carboxymethyl, and chloromethyl radicals the rate constants range from 3.1 x 10 9 for ethyl to 2.8 x 10 7 M -1 s -1 for trichloromethyl and the reaction proceeds by chlorine transfer from IrCl 6 2- to the alkyl radical. With isopropyl and tert-butyll radicals the reaction proceeds by both electron and chlorine transfer. Alkyl radicals also react with Fe(CN) 6 3- . The rate constants increase strongly with increasing alkylation at C/sub α/ from 5 x 10 6 for methyl to 3.6 x 10 9 M -1 s -1 for tert-butyl, indicating that the transition state for the reaction is highly polar. Rate constants for reaction of MnO 4 - with alkyl radicals are of the order 10 9 M -1 s -1 . 4 figures, 1 table

The Salty Scrambled Egg: Detection of NaCl Toward CRL 2688

Science.gov (United States)

Highberger, J. L.; Thomson, K. J.; Young, P. A.; Arnett, D.; Ziurys, L. M.

2003-08-01

NaCl has been detected toward the circumstellar envelope of the post-AGB star CRL 2688 using the IRAM 30 m telescope, the first time this molecule has been identified in a source other than IRC +10216. The J=7-->6, 11-->10, 12-->11, and 18-->17 transitions of NaCl at 1, 2, and 3 mm have been observed, as well as the J=8-->7 line of the 37Cl isotopomer. The J=12-->11 line was also measured at the ARO 12 m telescope. An unsuccessful search was additionally conducted for AlCl toward CRL 2688, although in the process new transitions of NaCN were observed. Both NaCl and NaCN were found to be present in the AGB remnant wind, as suggested by their U-shaped line profiles, indicative of emission arising from an optically thin, extended shell-like source of radius ~10"-12". These data contrast with past results in IRC +10216, where the distribution of both molecules is confined to within a few arcseconds of the star. A high degree of excitation is required for the transitions observed for NaCl and NaCN; therefore, these two species likely arise in the region where the high-velocity outflow has collided with the remnant wind. Here the effects of shocks and clumping due to Rayleigh-Taylor instabilities have raised the densities and temperatures significantly. The shell source is thus likely to be clumpy and irregular. The chemistry producing the sodium compounds is consequently more complex than simple LTE formation. Abundances of NaCl and NaCN, relative to H2, are f~1.6×10-10 and ~5.2×10-9, respectively, while the upper limit to AlCl is f<2×10-9. These values differ substantially from those in IRC +10216, where AlCl has an abundance near 10-7. The NaCl observations additionally indicate a chlorine isotope ratio of 35Cl/37Cl=2.1+/-0.8 in CRL 2688, suggestive of s-process enhancement of chlorine 37.

Determination of hyperin in seed of Cuscuta chinensis Lam. by enhanced chemiluminescence of CdTe quantum dots on calcein/K3Fe(CN)6 system.

Science.gov (United States)

Kang, Jing; Li, Xuwen; Geng, Jiayang; Han, Lu; Tang, Jieli; Jin, Yongri; Zhang, Yihua

2012-10-15

In this paper, 3-mercaptocarboxylic acid (MPA) modified CdTe quantum dots (QDs) were used as sensitizers, to enhance the chemiluminescence (CL) of the calcein/K(3)Fe(CN)(6) system. A new CL system of CdTe/calcein/K(3)Fe(CN)(6) was developed. The effects of reactant concentrations and the particle sizes of CdTe QDs on the CL emission were investigated in detail. The possible enhancement mechanism of the CL was also further investigated based on the photoluminescence (PL) and CL spectra. Polyphenols such as chlorogenic acid, quercetin, hyperin, catechin and kaempferol, were observed to inhibit the CL signal of the CdTe/calcein/K(3)Fe(CN)(6) system and determined by the proposed method. The proposed method was applied to the determination of hyperin in seed of Cuscuta chinensis Lam. and the results obtained were satisfactory. Copyright © 2012 Elsevier Ltd. All rights reserved.

Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study.

Science.gov (United States)

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-28

The CH3Cl + CN(-) reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

Preparation of compounds AWCl6 from WCl6 in Cl--containing solvents

International Nuclear Information System (INIS)

Seifert, H.J.; Kiewisch, B.; Wuesteneck, A.

1977-01-01

In Glyme, ACN or CH 2 Cl 2 WCl 6 is reduced by Cl - to WCl 6 - . From those solutions compounds AWCl 6 can be isolated with A = Cs (Glyme, ACN), A = Rb, K, NH 4 (ACN) and A = N(C 2 H 5 ) 4 (CH 2 Cl 2 ). By concentrating of glyme-solutions a precipitate of A 2 WCl 6 is formed by disproportionation. In methanol/HCl also solvolysis to oxo-compounds of W 6+ takes place as function of the H + -concentration. With N(C 2 H 5 ) 4 Cl not only chlorotungstates but also methoxy- and oxo-spezies of W 5+ can be isolated. (author)

Rational synthesis of high nuclearity Mo/Fe/S clusters: the reductive coupling approach in the convenient synthesis of (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et, (n)Pr, (n)Bu] and the new [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl]-1/2(Fe(PEt(3))(2)(MeCN)(4)) and (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) clusters.

Science.gov (United States)

Han, J; Koutmos, M; Ahmad, S A; Coucouvanis, D

2001-11-05

A general method for the synthesis of high nuclearity Mo/Fe/S clusters is presented and involves the reductive coupling of the (Et(4)N)(2)[(Cl(4)-cat)MoOFeS(2)Cl(2)] (I) and (Et(4)N)(2)[Fe(2)S(2)Cl(4)] (II) clusters. The reaction of I and II with Fe(PR(3))(2)Cl(2) or sodium salts of noncoordinating anions such as NaPF(6) or NaBPh(4) in the presence of PR(3) (R = Et, (n)Pr, or (n)Bu) affords (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et (IIIa), (n)Pr (IIIb), (n)Bu (IIIc)], Fe(6)S(6)(PEt(3))(4)Cl(2) (IV) and (PF(6))[Fe(6)S(8)(P(n)Pr(3))(6)] (V) as byproducts. The isolation of (Et(4)N)[Fe(PEt(3))Cl(3)] (VI), NaCl, and SPEt(3) supports a reductive coupling mechanism. Cluster IV and V also have been synthesized by the reductive self-coupling of compound II. The reductive coupling reaction between I and II by PEt(3) and NaPF(6) in a 1:1 ratio produces the (Et(4)N)(2)[(Cl(4)-cat)Mo(L)Fe(3)S(4)Cl(3)] clusters [L = MeCN (VIIa), THF (VIIb)]. The hitherto unknown [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl](+) cluster (VIII) has been isolated as the 2:1 salt of the (Fe(PEt(3))(2)(MeCN)(4))(2+) cation after the reductive self-coupling reaction of I in the presence of Fe(PEt(3))(2)Cl(2). Cluster VIII crystallizes in the monoclinic space group P2(1)/c with a = 11.098(3) A, b = 22.827(6) A, c = 25.855(6) A, beta = 91.680(4) degrees, and Z = 4. The formal oxidation states of metal atoms in VIII have been assigned as Mo(III), Mo(IV), Fe(II), and Fe(III) on the basis of zero-field Mössbauer spectra. The Fe(PEt(3))(2)(MeCN)(4) cation of VIII is also synthesized independently, isolated as the BPh(4)(-) salt (IX), and has been structurally characterized. The reductive coupling of compound I also affords in low yield the new (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) cluster (X) as a byproduct. Cluster X crystallizes in the monoclinic space group P2(1)/n with a = 14.811(3) A, b = 22.188(4) A, c = 21.864(4) A, beta = 100.124(3) degrees, and Z = 4 and the structure shows very short Mo

Synthesis and molecular structure of [Cu(NH3)4][Ni(CN)4]: A missing piece in the [Cu(NH3)n][Ni(CN)4] story

Science.gov (United States)

Solanki, Dina; Hogarth, Graeme

2015-11-01

Reaction of CuCl2·2H2O and K2[Ni(CN)4]·2H2O in aqueous ammonia gave blue rod-like crystals of [Cu(NH3)4][Ni(CN)4]. An X-ray crystallographic reveals that square-planar anions and cations are weakly associated through coordination of a cis pair of cyanide ligands to copper, with one short and one long contact and thus the copper centre is best described as a square-based pyramid. Crystals lose ammonia readily upon removal from the solvent and this has been probed by TGA and DSC measurements. For comparison we have also re-determined the structure of the related ethylenediamine (en) complex [Cu(en)2][Ni(CN)4] at 150 K. This consists of a 1D chain in which a trans pair of cyanide ligands bind to copper such that the latter has an overall tetragonally distorted octahedral coordination geometry.

A combined crossed molecular beams and theoretical study of the reaction CN + C{sub 2}H{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Balucani, Nadia, E-mail: nadia.balucani@unipg.it [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Leonori, Francesca; Petrucci, Raffaele [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Wang, Xingan [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Casavecchia, Piergiorgio [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Skouteris, Dimitrios [Scuola Normale Superiore, Pisa (Italy); Albernaz, Alessandra F. [Instituto de Física, Universidade de Brasília, Brasília (Brazil); Gargano, Ricardo [Instituto de Física, Universidade de Brasília, Brasília (Brazil); Departments of Chemistry and Physics, University of Florida, Quantum Theory Project, Gainesville, FL 32611 (United States)

2015-03-01

Highlights: • The CN + C{sub 2}H{sub 4} reaction was investigated in crossed beam experiments. • Electronic structure calculations of the potential energy surface were performed. • RRKM estimates qualitatively reproduce the experimental C{sub 2}H{sub 3}NC yield. - Abstract: The CN + C{sub 2}H{sub 4} reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice–Ramsperger–Kassel–Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH{sub 2}CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C{sub 2}H{sub 3}NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments.

Anomalous absorption in H2CN and CH2CN molecules

Indian Academy of Sciences (India)

Abstract. Structures of H2CN and CH2CN molecules are similar to that of H2CO mole- cule. The H2CO has shown anomalous absorption for its transition 111 − 110 at 4.8 GHz in a number of cool molecular clouds. Though the molecules H2CN and CH2CN have been identified in TMC-1 and Sgr B2 through some ...

WebCN: A web-based computation tool for in situ-produced cosmogenic nuclides

Energy Technology Data Exchange (ETDEWEB)

Ma Xiuzeng [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States)]. E-mail: hongju@purdue.edu; Li Yingkui [Department of Geography, University of Missouri-Columbia, Columbia, MO 65211 (United States); Bourgeois, Mike [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Caffee, Marc [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Elmore, David [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Granger, Darryl [Department of Earth and Atmospheric Sciences, Purdue University, West Lafayette, IN 47907 (United States); Muzikar, Paul [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Smith, Preston [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States)

2007-06-15

Cosmogenic nuclide techniques are increasingly being utilized in geoscience research. For this it is critical to establish an effective, easily accessible and well defined tool for cosmogenic nuclide computations. We have been developing a web-based tool (WebCN) to calculate surface exposure ages and erosion rates based on the nuclide concentrations measured by the accelerator mass spectrometry. WebCN for {sup 10}Be and {sup 26}Al has been finished and published at http://www.physics.purdue.edu/primelab/for{sub u}sers/rockage.html. WebCN for {sup 36}Cl is under construction. WebCN is designed as a three-tier client/server model and uses the open source PostgreSQL for the database management and PHP for the interface design and calculations. On the client side, an internet browser and Microsoft Access are used as application interfaces to access the system. Open Database Connectivity is used to link PostgreSQL and Microsoft Access. WebCN accounts for both spatial and temporal distributions of the cosmic ray flux to calculate the production rates of in situ-produced cosmogenic nuclides at the Earth's surface.

On the Adjacent Strong Equitable Edge Coloring of Pn ∨ Pn, Pn ∨ Cn and Cn ∨ Cn

OpenAIRE

Liu Jun; Zhao Chuan Cheng; Yao Shu Xia; Guo Ren Zhi; Yue Qiu Ju

2016-01-01

A proper edge coloring of graph G is called equitable adjacent strong edge coloring if colored sets from every two adjacent vertices incident edge are different,and the number of edges in any two color classes differ by at most one,which the required minimum number of colors is called the adjacent strong equitable edge chromatic number. In this paper, we discuss the adjacent strong equitable edge coloring of join-graphs about Pn ∨ Pn, Pn ∨ Cn and Cn ∨ Cn.

In situ measurements of HCN and CH3CN over the Pacific Ocean: Sources, sinks, and budgets

Science.gov (United States)

Singh, H. B.; Salas, L.; Herlth, D.; Kolyer, R.; Czech, E.; Viezee, W.; Li, Q.; Jacob, D. J.; Blake, D.; Sachse, G.; Harward, C. N.; Fuelberg, H.; Kiley, C. M.; Zhao, Y.; Kondo, Y.

2003-10-01

We report the first in situ measurements of hydrogen cyanide (HCN) and methyl cyanide (CH3CN, acetonitrile) from the Pacific troposphere (0-12 km) obtained during the NASA Transport and Chemical Evolution over the Pacific (TRACE-P) airborne mission (February-April 2001). Mean HCN and CH3CN mixing ratios of 243 ± 118 (median 218) ppt and 149 ± 56 (median 138) ppt, respectively, were measured. These in situ observations correspond to a mean tropospheric HCN column of 4.2 × 1015 molecules cm-2 and a CH3CN column of 2.5 × 1015 molecules cm-2. This is in good agreement with the 0-12 km HCN column of 4.4 (±0.6) × 1015 molecules cm-2 derived from infrared solar spectroscopic observations over Japan. Mixing ratios of HCN and CH3CN were greatly enhanced in pollution outflow from Asia and were well correlated with each other as well as with known tracers of biomass combustion (e.g., CH3Cl, CO). Volumetric enhancement (or emission) ratios (ERs) relative to CO in free tropospheric plumes, likely originating from fires, were 0.34% for HCN and 0.17% for CH3CN. ERs with respect to CH3Cl and CO in selected biomass burning (BB) plumes in the free troposphere and in boundary layer pollution episodes are used to estimate a global BB source of 0.8 ± 0.4 Tg (N) yr-1 for HCN and 0.4 ± 0.1 Tg (N) yr-1 for CH3CN. In comparison, emissions from industry and fossil fuel combustion are quite small (atmospheric residence time of 5.0 months for HCN and 6.6 months for CH3CN is calculated. A global budget analysis shows that the sources and sinks of HCN and CH3CN are roughly in balance but large uncertainties remain in part due to a lack of observational data from the atmosphere and the oceans. Pathways leading to the oceanic (and soil) degradation of these cyanides are poorly known but are expected to be biological in nature.

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds. The two-CN system approach

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.

2011-10-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN values can be estimated by being selected from tables. However, it is more accurate to estimate the CN value from measured rainfall-runoff data (assumed available) in a watershed. Previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. They suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the novel hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of the inevitable presence of soil-cover complex spatial variability along watersheds is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behavior of the CN-rainfall function produced by the proposed two-CN system concept is approached theoretically, it is analyzed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous original method based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one), a clear physical reasoning for them is presented.

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds - the two-CN system approach

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.

2012-03-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN parameter values corresponding to various soil, land cover, and land management conditions can be selected from tables, but it is preferable to estimate the CN value from measured rainfall-runoff data if available. However, previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. Hence, they suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of soils and land cover spatial variability on its hydrologic response is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behaviour of the CN-rainfall function produced by the simplified two-CN system is approached theoretically, it is analysed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous methods based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one), a clear physical reasoning for them is presented.

CN radical in diffuse interstellar clouds

International Nuclear Information System (INIS)

Federman, S.R.; Danks, A.C.; Lambert, D.L.

1984-01-01

A survey of 15 lines of sight for the CN B 2 Σ + --X 2 Σ + interstellar absorption lines shows that the CN column density in diffuse interstellar clouds follows the relation log N(CN)proportionalm log N(H 2 ), where mroughly-equal3. This result is reproduced by a reaction network in which CN is produced primarily from C 2 by the neutral-neutral reaction C 2 +N → CN+C, and photodissociation is the main destruction pathway for the neutral molecules CH, C 2 , and CN. The CN radical is the first molecular species observed in diffuse clouds that requires a neutral-neutral reaction for its formation in the gas phase. The network also reproduces the observed ratio N(CN)/N(H 2 )

Syntheses, structures, and magnetic properties of three new MnII-[MoIII(CN)7]4- molecular magnets.

Science.gov (United States)

Wei, Xiao-Qin; Pi, Qian; Shen, Fu-Xing; Shao, Dong; Wei, Hai-Yan; Wang, Xin-Yi

2018-05-22

By reaction of K4[MoIII(CN)7]·2H2O, Mn(ClO4)2·6H2O and bidentate chelating ligands, three new cyano-bridged compounds, namely Mn2(3-pypz)(H2O)(CH3CN)[Mo(CN)7] (1), Mn2(1-pypz)(H2O)(CH3CN)[Mo(CN)7] (2) and Mn2(pyim)(H2O)(CH3CN)[Mo(CN)7] (3) (3-pypz = 2-(1H-pyrazol-3-yl)pyridine, 1-pypz = 2-(1H-pyrazol-1-yl)pyridine, pyim = 2-(1H-imidazol-2-yl)pyridine), have been synthesized and characterized structurally and magnetically. Single crystal X-ray analyses revealed that although the chelating ligands are different, compounds 1 to 3 are isomorphous and crystallize in the same monoclinic space group C2/m. Connected by the bridging cyano groups, one crystallographically unique [Mo(CN)7]4- unit and three crystallographically unique MnII ions of different coordination environments form similar three-dimensional frameworks, which have a four-nodal 3,4,4,7-connecting topological net with a vertex symbol of {43}{44·62}2{410·611}. Magnetic measurements revealed that compounds 1-3 display long-range magnetic ordering with critical temperatures of 64, 66 and 62 K, respectively. These compounds are rare examples of a small number of chelating co-ligand coordinated [Mo(CN)7]4--based magnetic materials. Specifically, the bidentate chelating ligands were successfully introduced into the heptacyanomolybdate system for the first time.

Anomalous thermal expansion, negative linear compressibility, and high-pressure phase transition in ZnAu2(CN) 4 : Neutron inelastic scattering and lattice dynamics studies

Science.gov (United States)

Gupta, Mayanak K.; Singh, Baltej; Mittal, Ranjan; Zbiri, Mohamed; Cairns, Andrew B.; Goodwin, Andrew L.; Schober, Helmut; Chaplot, Samrath L.

2017-12-01

We present temperature-dependent inelastic-neutron-scattering measurements, accompanied by ab initio calculations of the phonon spectra and elastic properties as a function of pressure to quantitatively explain an unusual combination of negative thermal expansion and negative linear compressibility behavior of ZnAu2(CN) 4 . The mechanism of the negative thermal expansion is identified in terms of specific anharmonic phonon modes that involve bending of the -Zn-NC-Au-CN-Zn- linkage. The soft phonon at the L point at the Brillouin zone boundary quantitatively relates to the high-pressure phase transition at about 2 GPa. The ambient pressure structure is also found to be close to an elastic instability that leads to a weakly first-order transition.

Effectiveness of the Civil Aviation Security Program.

Science.gov (United States)

1978-03-31

Passenger Screening Results 12. Scope of Civil Aviation Security Program 13. Basic Policies 14. Explosives Detection Dog Teams 15. Explosives Detection... policies guiding the program recognize airline responsibilities for the safety of passengers, baggage and cargo in their care as well as for the...U *i * (U U Los -7 .cn cf) 1-4 ~~LL _m e- Hf LMU 0- u,-C -oL -ccJLL LII -~ LLIOL 0 _ CL. LLJ cr-L LCnIJ C ~ ~ CnCD C. ) &j 2ic- nc r JL AJ -L JC C.- L

CN in dark clouds

International Nuclear Information System (INIS)

Churchwell, E.; Bieging, J.H.

1983-01-01

We have detected CN (N = 1--0) emission toward six locations in the Taurus dark cloud complex, but not toward L183 or B227. The two hyperfine components, F = 3/2--1/2 and F = 5/2--3/2 (of J = 3/2--1/2), have intensity ratios near unity toward four locations in Taurus, consistent with large line optical depths. CN column densities are found to be > or approx. =6 x 10 13 cm -2 in those directions where the hyperfine ratios are near unity. By comparing CN with NH 3 and C 18 O column densities, we find that the relative abundance of CN in the Taurus cloudlets is at least a factor of 10 greater than in L183. In this respect, CN fits the pattern of enhanced abundances of carbon-bearing molecules (in partricular the cyanopolyynes) in the Taurus cloudlets relative to similar dark clouds outside Taurus

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds – the two-CN system approach

Directory of Open Access Journals (Sweden)

J. D. Valiantzas

2012-03-01

Full Text Available The Soil Conservation Service Curve Number (SCS-CN approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN parameter values corresponding to various soil, land cover, and land management conditions can be selected from tables, but it is preferable to estimate the CN value from measured rainfall-runoff data if available. However, previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. Hence, they suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of soils and land cover spatial variability on its hydrologic response is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behaviour of the CN-rainfall function produced by the simplified two-CN system is approached theoretically, it is analysed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous methods based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one, a clear physical reasoning for them is presented.

Synergy between erosion-corrosion of steel AISI 4140 covered by a multilayer TiCN / TiNbCN, at an impact angle of 90°

Directory of Open Access Journals (Sweden)

Willian Aperador Chaparro

2013-01-01

Full Text Available El propósito de este trabajo es estudiar el efecto de la erosión corrosión en el desgaste de los recubrimientos en forma de multicapas de [TiCN / TiNbCN] n depositadas sobre sustratos de acero AISI 4140. El crecimiento de las multicapas de [TiCN / TiNbCN] n se realizó mediante un sistema magnetrón sputtering con RF reactivo en el que se varió sistemáticamente el período bicapa (Λ, y el número bicapa (n, manteniendo constante el espesor total de las capas (~ 3 micras. Las multicapas se evaluaron comparando la corrosión, erosión y erosión – corrosión a un ángulo de impacto de 90 º en una solución de 0,5 M de NaCl y de sílice, analizando el número de bicapas sobre en la resistencia a la corrosión de estos recubrimientos. Las curvas de polarización se realizaron en el potencial de reposo. Posteriormente de la realización de los experimentos de las curvas de polarización las muestras se analizaron por microscopía electrónica de barrido. Los resultados muestran que el buen rendimiento de los sistemas multicapa en sistemas dinámicos de corrosión y corrosión por erosión y la mejora de desgaste es debido al hecho de que las curvas de polarización se mueven hacia las zonas donde las densidades de corriente disminuyen al aumentar el número de bicapas.

Structural studies of precursor and partially oxidized conducting complexes. 19. Synthesis and crystal structure of Cs2[Pt(CN)4]Cl/sub 0.30, the first anhydrous one-dimensional tetracyanoplatinate chloride complex

International Nuclear Information System (INIS)

Brown, R.K.; Williams, J.M.

1978-01-01

The preparation and single-crystal x-ray structural characterization of a new, partially oxidized tetracyanoplatinate (POTCP), Cs 2 [Pt(CN) 4 ]Cl/sub 0.30/, CsCP(Cl), has been carried out. This one-dimensional conducting salt crystallizes with four formula units in the tetragonal unit cell I4/mcm, with cell constants a = 13.176 (2) A, c = 5.718 (1) A, and V = 992.7 A 3 . A total of 3112 observed data were averaged to yield 427 independent reflections. The structure was solved by standard heavy-atom methods and was refined by full-matrix least squares to a final R(F 0 2 ) = 0.045 and R/sub w/(F 0 2 ) = 0.059. Pertinent structural features include perfectly linear chains of Pt atoms with Pt-Pt separations crystallographically constrained to a value of (c/2) = 2.859 (2) A and interchain Pt-Pt distances of 9.317 A. Separations between the Cs + and Cl - ions are significantly shorter than the sum of the ionic radii. A discussion of these unusually short interionic distances and the absence of hydration as determined from the structural study and themogravimetric analyses is given. 2 figures, 2 tables

Nanomechanical properties of TiCN and TiCN/Ti coatings on Ti prepared by Filtered Arc Deposition

International Nuclear Information System (INIS)

Sun, Yong; Lu, Cheng; Yu, Hailiang; Kiet Tieu, A.; Su, Lihong; Zhao, Yue; Zhu, Hongtao; Kong, Charlie

2015-01-01

Monolayer TiCN and multilayer TiCN/Ti coatings were deposited on the surface of Ti using the Filtered Arc Deposition System (FADS). Nanoindentation tests were performed on both coatings. The multilayer TiCN/Ti coating exhibited better ductility than the monolayer TiCN coating. The lattice constants of the coatings were characterized by X-ray diffraction. Transmission Electron Microscopy (TEM) was used to investigate the fracture behavior of the coatings. Inter-columnar, inclined and lateral cracks were found to be the dominant crack modes in the monolayer TiCN coatings while small bending crack and radial crack were the dominant crack modes in the multilayer TiCN/Ti coatings. The Finite Element Method (FEM) was used to simulate the indentation process. It was found that the Ti interlayer in the multilayer TiCN/Ti coating could efficiently suppress the fracture, which is responsible for the improved ductility of the multilayer TiCN/Ti coating

The effects of phase transformation on the structure and mechanical properties of TiSiCN nanocomposite coatings deposited by PECVD method

Science.gov (United States)

Abedi, Mohammad; Abdollah-zadeh, Amir; Bestetti, Massimiliano; Vicenzo, Antonello; Serafini, Andrea; Movassagh-Alanagh, Farid

2018-06-01

In the present study, the effects of phase transformations on the structure and mechanical properties of TiSiCN coatings were investigated. TiSiCN nanocomposite coatings were deposited on AISI H13 hot-work tool steel by a pulsed direct current plasma-enhanced chemical vapor deposition process at 350 or 500 °C, using TiCl4 and SiCl4 as the precursors of Ti and Si, respectively, in a CH4/N2/H2/Ar plasma as the source of carbon and nitrogen and reducing environment. Some samples deposited at 350 °C were subsequently annealed at 500 °C under Ar atmosphere. Super hard self-lubricant TiSiCN coatings, having nanocomposite structure consisting of TiCN nanocrystals and amorphous carbon particles embedded in an amorphous SiCNx matrix, formed through spinodal decomposition in the specimens deposited or annealed at 500 °C. In addition, it was revealed that either uncomplete or relatively coarse phase segregation of titanium compounds was achieved during deposition at 350 °C and 500 °C, respectively. On the contrary, by deposition at 350 °C followed by annealing at 500 °C, a finer structure was obtained with a sensible improvement of the mechanical properties of coatings. Accordingly, the main finding of this work is that significant enhancement in key properties of TiSiCN coatings, such as hardness, adhesion and friction coefficient, can be obtained by deposition at low temperature and subsequent annealing at higher temperature, thanks to the formation of a fine grained nanocomposite structure.

Thermophysical properties of the ionic liquids [EMIM][B(CN)4] and [HMIM][B(CN)4].

Science.gov (United States)

Koller, Thomas M; Rausch, Michael H; Ramos, Javier; Schulz, Peter S; Wasserscheid, Peter; Economou, Ioannis G; Fröba, Andreas P

2013-07-18

In the present study, the thermophysical properties of the tetracyanoborate-based ionic liquids (ILs) 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][B(CN)4]) and 1-hexyl-3-methylimidazolium tetracyanoborate ([HMIM][B(CN)4]) obtained by both experimental methods and molecular dynamics (MD) simulations are presented. Conventional experimental techniques were applied for the determination of refractive index, density, interfacial tension, and self-diffusion coefficients for [HMIM][B(CN)4] at atmospheric pressure in the temperature range from 283.15 to 363.15 K. In addition, surface light scattering (SLS) experiments provided accurate viscosity and interfacial tension data. As no complete molecular parametrization was available for the MD simulations of [HMIM][B(CN)4], our recently developed united-atom force field for [EMIM][B(CN)4] was partially transferred to the homologous IL [HMIM][B(CN)4]. Deviations between our simulated and experimental data for the equilibrium properties are less than ±0.3% in the case of density and less than ±8% in the case of interfacial tension for both ILs. Furthermore, the calculated and measured data for the transport properties viscosity and self-diffusion coefficient are in good agreement, with deviations of less than ±30% over the whole temperature range. In addition to a comparison with the literature, the influence of varying cation chain length on thermophysical properties of [EMIM][B(CN)4] and [HMIM][B(CN)4] is discussed.

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds. The two-CN system approach

OpenAIRE

K. X. Soulis; J. D. Valiantzas

2011-01-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN values can be estimated by being selected from tables. However, it is more accurate to estimate the CN value from measured rainfall-runoff data (assumed available) in a watershed. Previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. The...

Metal-Containing Molecules Beyond the Solar System: a Laboratory and Radio Astronomical Perspective

Science.gov (United States)

Ziurys, L. M.

2010-06-01

Although the history of interstellar molecules began around 1970, with the millimeter-wave detection of CO in the Orion Nebula, metal-containing species have been somewhat elusive for astronomical searches. Only in the past two decades have metal-bearing molecules been identified in space, starting with metal halides (NaCl, KCl, AlCl, and AlF), and then metal cyanide and isocyanide species (MgNC, MgCN, NaCN, and AlNC). Moreover, the metal-containing molecules seemed to be present in a single astronomical object: the envelope of a dying, carbon-rich star, IRC+10216. However, with improvements both in laboratory spectroscopy and telescope sensitivity, it is becoming clear that the relevance of metal-containing species in astrophysics is increasing. Metal oxide and hydroxide species, such as AlO and AlOH, have recently been identified in interstellar space. Metal-containing molecules are now being found in other astronomical sources, such as the oxygen-rich shell surrounding VY Canis Majoris, a supergiant star. These new astronomical discoveries will be presented, as well as the laboratory measurements that made them possible. New directions in rotational spectroscopy of metal-bearing molecules will also be discussed.

Iodide, azide, and cyanide complexes of (N,C), (N,N), and (N,O) metallacycles of tetra- and pentavalent uranium

International Nuclear Information System (INIS)

Benaud, Olivier; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel

2011-01-01

In contrast to the neutral macrocycle [UN* 2 (N,C)] (1) [N* = N(SiMe 3 ) 3 ; N,C = CH 2 SiMe 2 N-(SiMe 3 )] which was quite inert toward I 2 , the anionic bismetallacycle [NaUN*(N,C) 2 ] (2) was readily transformed into the enlarged monometallacycle [UN*(N,N)I] (4) [N,N = (Me 3 Si)NSiMe 2 CH 2 CH 2 SiMe 2 N(SiMe 3 )] resulting from C-C coupling of the two CH 2 groups, and [NaUN*(N,O) 2 ] (3) [N,O = OC(=CH 2 )SiMe 2 N(SiMe 3 )], which is devoid of any U-C bond, was oxidized into the UV bismetallacycle [Na{UN*(N,O) 2 }2(μ-I)] (5). Sodium amalgam reduction of 4 gave the U(III) compound [UN*(N,N)] (6). Addition of MN 3 or MCN to the (N,C), (N,N), and (N,O) metallacycles 1, 4, and 5 led to the formation of the anionic azide or cyanide derivatives M[UN* 2 (N,C)(N 3 )] [M = Na, 7a or Na(15-crown-5), 7b], M[UN* 2 (N,C)(CN)] [M = NEt 4 , 8a or Na(15-crown-5), 8b or K(18-crown-6), 8c], M[UN*(N,N)(N 3 ) 2 ] [M = Na, 9a or Na(THF)4, 9b], [NEt 4 ][UN*(N,N)(CN) 2 ] (10), M[UN*(N,O) 2 (N 3 )] [M = Na, 11a or Na(15-crown-5), 11b], M[UN*(N,O) 2 (CN)] [M = NEt 4 , 12a or Na(15-crown-5), 12b]. In the presence of excess iodine in THF, the cyanide 12a was converted back into the iodide 5, while the azide 11a was transformed into the neutral UV complex [U(N{SiMe 3 }-SiMe 2 C{CHI}O) 2 I(THF)] (13). The X-ray crystal structures of 4, 7b, 8a-c, 9b, 10, 12b, and 13 were determined. (authors)

Responses triggered in chloroplast of Chlorella variabilis NC64A by long-term association with Paramecium bursaria.

Science.gov (United States)

Minaeva, Ekaterina; Ermilova, Elena

2017-07-01

The unicellular green alga Chlorella variabilis NC64A is an endosymbiont of the ciliate Paramecium bursaria. The host's control, including the transfer of biochemical substrates from P. bursaria to C. variabilis, is involved in symbiotic relationships. C. variabilis NC64A that had been re-infected to P. bursaria for more than 1 year and isolated from the host showed higher chlorophyll levels compared to those in free-living cells. Unlike the host, the expression of C. variabilis NC64A heat shock 70 kDa protein was independent of establishment of endosymbiosis. In symbiotic cells, the levels of PII signal transduction protein (CvPII) that coordinate the central C/N anabolic metabolism were slightly higher than those in free-living cells. Furthermore, the environmental cues (light and host food bacteria availability) affected the abundance of CvPII, suggesting that synthesis of the protein was influenced by the host. Moreover, arginine concentrations in the symbiotic algae of P. bursaria were also controlled by the host's nutritional conditions. Together, our results imply that signal substrates and/or products of metabolism in host cells might act as messengers mediating the regulation of key events in symbiont cells.

Novel germanetellones: XYGe=Te (X, Y = H, F, Cl, Br, I and CN) - structures and energetics. Comparison with the first synthetic successes.

Science.gov (United States)

Jaufeerally, Naziah B; Abdallah, Hassan H; Ramasami, Ponnadurai; Schaefer, Henry F

2014-03-14

No stable germanetellone was described until Tbt(Dis)Ge=Te and Tbt(Tip)Ge=Te (Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl, Dis = bis(trimethylsilyl)methyl and Tip = 2,4,6-triisopropylphenyl) were reported in 1997. Following these initial experiments, there has arisen considerable interest in Ge[double bond, length as m-dash]Te systems. An obvious question is: why have the simple XYGe=Te (X, Y = H, F, Cl, Br, I and CN) molecules not yet been isolated? In view of the present situation, theoretical information may be of great help for further advances in germanetellone chemistry. A systematic investigation of the XYGe=Te molecules is carried out using the second order Møller-Plesset perturbation theory (MP2) and density functional theory (DFT). The structures and energetics, including ionization potentials (IPad and IPad(ZPVE)), four different forms of neutral-anion separations (EAad, EAad(ZPVE), VEA and VDE) and the singlet-triplet gaps, are reported. The electronegativity (χ) reactivity descriptor for the halogens (F, Cl, Br and I) and the natural charge separations of the Ge=Te moiety are used to assess the interrelated properties of germanetellone and its derivatives. The results are analyzed, discussed and compared with analogous studies of telluroformaldehyde, silanetellone and their derivatives. The thermodynamic viabilities of some of the novel germanetellones have also been evaluated in terms of the bond dissociation enthalpies of Tbt(Dis)Ge=Te and Tbt(Tip)Ge=Te. The simple mono-substituted germanetellones appear to be slightly more thermodynamically favored than Tbt(Dis)Ge=Te and Tbt(Tip)Ge=Te, since the bond dissociation enthalpies of these kinetically stabilized germanetellones are about 28 and 51 kcal mol(-1) lower, respectively.

Hydrothermal syntheses, structural, Raman, and luminescence studies of Cm[M(CN)2]3.3H2O and Pr[M(CN)2]3.3H2O (M=Ag, Au)

International Nuclear Information System (INIS)

Assefa, Zerihun; Haire, Richard G.; Sykora, Richard E.

2008-01-01

We have prepared Cm[Au(CN) 2 ] 3 .3H 2 O and Cm[Ag(CN) 2 ] 3 .3H 2 O as a part of our continuing investigations into the chemistry of the 5f-elements' dicyanometallates. Single crystals of Cm[Au(CN) 2 ] 3 .3H 2 O were obtained from the reaction of CmCl 3 and KAu(CN) 2 under mild hydrothermal conditions. Due to similarities in size, the related praseodymium compounds were also synthesized and characterized for comparison with the actinide systems. The compounds crystallize in the hexagonal space group P6 3 /mcm, where the curium and the transition metals interconnect through cyanide bridging. Crystallographic data (Mo Kα, λ=0.71073 A): Cm[Au(CN) 2 ] 3 .3H 2 O (1), a=6.6614(5) A, c=18.3135(13) A, V=703.77(9), Z=2; Pr[Au(CN) 2 ] 3 .3H 2 O (3), a=6.6662(8) A, c=18.497(3) A, V=711.83(17), Z=2; Pr[Ag(CN) 2 ] 3 .3H 2 O (4), a=6.7186(8) A, c=18.678(2) A, V=730.18(14), Z=2. The Cm 3+ and/or Pr 3+ ions are coordinated to six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three oxygen atoms of coordinated water molecules tricap the trigonal prismatic arrangement providing a coordination number of nine for the f-elements. The curium ions in both compounds exhibit a strong red emission corresponding to the 6 D 7/2 → 8 S 7/2 transition. This transition is observed at 16,780 cm -1 , with shoulders at 17,080 and 16,840 cm -1 for the Ag complex, while the emission is red shifted by ∼100 cm -1 in the corresponding gold complex. The Pr systems also provide well-resolved emissions upon f-f excitation. - Graphical abstract: Coordination polymeric compounds between a trans-plutonium element, curium and transition metal ions, gold(I) and silver(I), were prepared using the hydrothermal synthetic procedure. The curium ion and the transition metals are interconnected through cyanide bridging. The Cm ion has a tricapped trigonal prismatic coordination environment with coordination number of nine. Detail photoluminescence studies of the complexes are also reported

Synthesis and single-crystal structure of the pseudo-ternary compounds LiA[N(CN){sub 2}]{sub 2} (A = K or Rb)

Energy Technology Data Exchange (ETDEWEB)

Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

2016-04-01

Crystals of LiA[N(CN){sub 2}]{sub 2} were obtained from the reaction of LiCl and ACl (A = K or Rb) with Ag[N(CN){sub 2}] in water and subsequent evaporation of the filtered solution at 80 C under normal atmospheric conditions. Crystals of the title compound form thin rectangular plates that are transparent, colorless, and very fragile. Single-crystal structure analyses have shown that both compounds are isotypic and adopt the tetragonal space group I4/mcm (no. 140, Z = 4) with the cell parameters a = 701.53(12) and c = 1413.7(5) pm for LiK[N(CN){sub 2}]{sub 2} and a = 730.34(10) and c = 1414.4(4) pm for LiRb[N(CN){sub 2}]{sub 2}. The crystal structure is described and compared to that of the pseudo-binary alkali metal dicyanamides.

H12CN and H13CN excitation analysis in the circumstellar outflow of R Sculptoris

Science.gov (United States)

Saberi, M.; Maercker, M.; De Beck, E.; Vlemmings, W. H. T.; Olofsson, H.; Danilovich, T.

2017-03-01

Context. The 12CO/13CO isotopologue ratio in the circumstellar envelope (CSE) of asymptotic giant branch (AGB) stars has been extensively used as the tracer of the photospheric 12C/13C ratio. However, spatially-resolved ALMA observations of R Scl, a carbon rich AGB star, have shown that the 12CO/13CO ratio is not consistent over the entire CSE. Hence, it can not necessarily be used as a tracer of the 12C/13C ratio. The most likely hypothesis to explain the observed discrepancy between the 12CO/13CO and 12C/13C ratios is CO isotopologue selective photodissociation by UV radiation. Unlike the CO isotopologue ratio, the HCN isotopologue ratio is not affected by UV radiation. Therefore, HCN isotopologue ratios can be used as the tracer of the atomic C ratio in UV irradiated regions. Aims: We aim to present ALMA observations of H13CN(4-3) and APEX observations of H12CN(2-1), H13CN(2-1, 3-2) towards R Scl. These new data, combined with previously published observations, are used to determine abundances, ratio, and the sizes of line-emitting regions of the aforementioned HCN isotopologues. Methods: We have performed a detailed non-LTE excitation analysis of circumstellar H12CN(J = 1-0, 2-1, 3-2, 4-3) and H13CN(J = 2-1, 3-2, 4-3) line emission around R Scl using a radiative transfer code based on the accelerated lambda iteration (ALI) method. The spatial extent of the molecular distribution for both isotopologues is constrained based on the spatially resolved H13CN(4-3) ALMA observations. Results: We find fractional abundances of H12CN/H2 = (5.0 ± 2.0) × 10-5 and H13CN/H2 = (1.9 ± 0.4) × 10-6 in the inner wind (r ≤ (2.0 ± 0.25) ×1015 cm) of R Scl. The derived circumstellar isotopologue ratio of H12CN/H13CN = 26.3 ± 11.9 is consistent with the photospheric ratio of 12C/13C 19 ± 6. Conclusions: We show that the circumstellar H12CN/H13CN ratio traces the photospheric 12C/13C ratio. Hence, contrary to the 12CO/13CO ratio, the H12CN/H13CN ratio is not affected by UV

33 CFR 80.525 - Cape Lookout, NC to Cape Fear, NC.

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2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Cape Lookout, NC to Cape Fear, NC... INTERNATIONAL NAVIGATION RULES COLREGS DEMARCATION LINES Fifth District § 80.525 Cape Lookout, NC to Cape Fear... southeast side of the Inlet. (g) Except as provided elsewhere in this section from Cape Lookout to Cape Fear...

Optimal C:N ratio for the production of red pigments by Monascus ruber.

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Said, Farhan M; Brooks, John; Chisti, Yusuf

2014-09-01

The carbon-to-nitrogen (C:N) ratio in the biomass of microfungi tends to be quite different (e.g. 10-15) compared with the C:N ratio in the red pigments (e.g. >20) of the fungus Monascus ruber. Therefore, determining an optimal C:N ratio in the culture medium for maximizing the production of the pigments is important. A culture medium composition is established for maximizing the production of the red pigment by the fungus M. ruber ICMP 15220 in submerged culture. The highest volumetric productivity of the red pigment was 0.023 AU L(-1) h(-1) in a batch culture (30 °C, initial pH of 6.5) with a defined medium of the following composition (g L(-1)): glucose (10), monosodium glutamate (MSG) (10), MgSO4·7H2O (0.5), KH2PO4 (5), K2HPO4 (5), ZnSO4·7H2O (0.01), FeSO4·7H2O (0.01), CaCl2 (0.1), MnSO4·H2O (0.03). This medium formulation had a C:N mole ratio of 9:1. Under these conditions, the specific growth rate of the fungus was 0.043 h(-1) and the peak biomass concentration was 6.7 g L(-1) in a 7-day culture. The biomass specific productivity of the red pigment was 1.06 AU g(-1) h(-1). The best nitrogen source proved to be MSG although four other inorganic nitrogen sources were evaluated.

Superconductivity at 2.8 K and 1.5 kbar in κ-(BEDT-TTF)2Cu2(CN)3: The first organic superconductor containing a polymeric copper cyanide anion

International Nuclear Information System (INIS)

Geiser, Urs; Wang Hau, H.; Carlson, K.D.; Williams, J.M.; Charlier, H.A. Jr.; Heindl, J.E.; Yaconi, G.A.; Love, B.J.; Lathrop, M.W.; Schirber, J.E.; Overmyer, D.L.; Ren, Jingquing; Whangbo, Myung-Hwan

1991-01-01

Attempts to synthesize new k-phase superconductors have concentrated on ET salts with complex anions composed of Cu(I) or Ag(I) metal ions and pseudohalide anions. The 'targeted anion approach', by use of a preformed anion found in KCu 2 (CN) 3 .H 2 O and the presence of trace amounts of water, led to the discovery of the first copper-cyanide containing superconductor, K-(ET) 2 Cu 2 (CN) 3 . The crystal structure, superconducting properties, and band electronic structure are described in this article. The complex k-(ET) 2 Cu 2 (CN) 3 is in many ways similar to the superconductor K-(ET) 2 Cu[N(CN) 2 ]Cl, the superconductor with the highest T c reported to date. 28 refs., 3 figs

Identification of a potential superhard compound ReCN

International Nuclear Information System (INIS)

Fan, Xiaofeng; Li, M.M.; Singh, David J.; Jiang, Qing; Zheng, W.T.

2015-01-01

Highlights: • We identify a new ternary compound ReCN with theoretical calculation. • The ternary compound ReCN is with two stable structures with P63mc and P3m1. • ReCN is a semiconductor from the calculation of electronic structures. • ReCN is found to possess the outstanding mechanical properties. • ReCN may be synthesized relatively easily. - Abstract: We identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. We find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC 2 and ReN 2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths. In addition, ReCN may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures

Thermal decomposition of [Co(en)3][Fe(CN)6]∙ 2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation.

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Trávníček, Zdeněk; Zbořil, Radek; Matiková-Maľarová, Miroslava; Drahoš, Bohuslav; Cernák, Juraj

2013-01-01

The Prussian blue analogues represent well-known and extensively studied group of coordination species which has many remarkable applications due to their ion-exchange, electron transfer or magnetic properties. Among them, Co-Fe Prussian blue analogues have been extensively studied due to the photoinduced magnetization. Surprisingly, their suitability as precursors for solid-state synthesis of magnetic nanoparticles is almost unexplored. In this paper, the mechanism of thermal decomposition of [Co(en)3][Fe(CN)6] ∙∙ 2H2O (1a) is elucidated, including the topotactic dehydration, valence and spins exchange mechanisms suggestion and the formation of a mixture of CoFe2O4-Co3O4 (3:1) as final products of thermal degradation. The course of thermal decomposition of 1a in air atmosphere up to 600°C was monitored by TG/DSC techniques, (57)Fe Mössbauer and IR spectroscopy. As first, the topotactic dehydration of 1a to the hemihydrate [Co(en)3][Fe(CN)6] ∙∙ 1/2H2O (1b) occurred with preserving the single-crystal character as was confirmed by the X-ray diffraction analysis. The consequent thermal decomposition proceeded in further four stages including intermediates varying in valence and spin states of both transition metal ions in their structures, i.e. [Fe(II)(en)2(μ-NC)Co(III)(CN)4], Fe(III)(NH2CH2CH3)2(μ-NC)2Co(II)(CN)3] and Fe(III)[Co(II)(CN)5], which were suggested mainly from (57)Fe Mössbauer, IR spectral and elemental analyses data. Thermal decomposition was completed at 400°C when superparamagnetic phases of CoFe2O4 and Co3O4 in the molar ratio of 3:1 were formed. During further temperature increase (450 and 600°C), the ongoing crystallization process gave a new ferromagnetic phase attributed to the CoFe2O4-Co3O4 nanocomposite particles. Their formation was confirmed by XRD and TEM analyses. In-field (5 K / 5 T) Mössbauer spectrum revealed canting of Fe(III) spin in almost fully inverse spinel structure of CoFe2O4. It has been found that the thermal

Crystal structures of bis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III complexes containing an acetonitrile or monodentate thyminate(1− ligand

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Mika Sakate

2016-04-01

Full Text Available The crystal structures of bis[2-(pyridin-2-ylphenyl]rhodium(III complexes with the metal in an octahedral coordination containing chloride and acetonitrile ligands, namely (OC-6-42-acetonitrilechloridobis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III, [RhCl(C11H8N2(CH3CN] (1, thyminate(1− and methanol, namely (OC-6-42-methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κN1bis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III, [Rh(C11H8N2(C5H5N2O2(CH3OH]·CH3OH·0.5H2O (2, and thyminate(1− and ethanol, namely (OC-6-42-ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κN1bis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III, [Rh(C11H8N2(C5H5N2O2(C2H5OH]·C2H5OH (3, are reported. The acetonitrile complex, 1, is isostructural with the IrIII analog. In complexes 2 and 3, the monodeprotonated thyminate (Hthym− ligand coordinates to the RhIII atom through the N atom, and the resulting Rh—N(Hthym bond lengths are relatively long [2.261 (2 and 2.252 (2 Å for 2 and 3, respectively] as compared to the Rh—N bonds in the related thyminate complexes. In each of the crystals of 2 and 3, the complexes are linked via a pair of intermolecular N—H...O hydrogen bonds between neighbouring Hthym− ligands, forming an inversion dimer. A strong intramolecular O—H...O hydrogen bond between the thyminate(1− and alcohol ligands in mutually cis positions to each other is also observed.

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

Science.gov (United States)

Pauzat, F.; Ellinger, Y.; Mclean, A. D.

1991-01-01

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case.

Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate(V)-Cobalt(II) three-dimensional networks.

Science.gov (United States)

Clima, Sergiu; Hendrickx, Marc F A; Chibotaru, Liviu F; Soncini, Alessandro; Mironov, Vladimir; Ceulemans, Arnout

2007-04-02

State of the art CASSCF and CASPT2 calculations have been performed to elucidate the nature of ferromagnetism of CoII-NC-WV pairs in the three-dimensional compound [[WV(CN)2]2[(micro-CN)4CoII(H2O)2]3.4H2O]n, which has been recently synthesized and investigated by a number of experimental techniques (Herrera, J. M.; Bleuzen, A.; Dromzée, Y.; Julve, M.; Lloret, F.; Verdaguer, M. Inorg. Chem. 2003, 42, 7052-7059). In this network, the Co ions are in the high-spin (S = 3/2) state, while the single unpaired electron on the W centers occupies the lowest orbital of the dz2 type of the 5d shell. In agreement with the suggestion made by Herrera et al., we find that the ferromagnetism is due to a certain occupation scheme of the orbitals from the parent octahedral t2g shell on CoII sites, in which the orbital accommodating the unpaired electron is orthogonal to the dz2 orbitals of the surrounding W ions. We investigate the stabilization of such an orbital configuration on the Co sites and find that it cannot be achieved in the ground state of isolated mononuclear fragments [CoII(NC)4(OH2)2]2- for any conformations of the coordinated water molecules and Co-N-C bond angles. On the other hand, it is stabilized by the interaction of the complex with neighboring W ions, which are simulated here by effective potentials. The calculated exchange coupling constants for the CoII-NC-WV binuclear fragments are in reasonable agreement with the measured Curie-Weiss constant for this compound. As additional evidence for the inferred electronic configuration on the Co sites, the ligand-field transitions, the temperature-dependent magnetic susceptibility, and the field-dependent low-temperature magnetization, simulated ab initio for the mononuclear Co fragments, are in agreement with the available data for another compound [WIV[(micro-CN)4-CoII(H2O)2]2.4H2O]n containing diamagnetic W and high-spin Co ions in an isostructural environment.

Comparison of mechanical behavior of TiN, TiNC, CrN/TiNC, TiN/TiNC films on 9Cr18 steel by PVD

Science.gov (United States)

Feng, Xingguo; Zhang, Yanshuai; Hu, Hanjun; Zheng, Yugang; Zhang, Kaifeng; Zhou, Hui

2017-11-01

TiN, TiNC, CrN/TiNC and TiN/TiNC films were deposited on 9Cr18 steel using magnetron sputtering technique. The morphology, composition, chemical state and crystalline structure of the films were observed and analyzed by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and scanning electron microscopy (SEM). Hardness and adhesion force were tested by nanoindentation and scratch tester, respectively. The friction and wear behavior of TiN, TiNC, CrN/TiNC and TiN/TiNC films sliding against GCr15 balls were investigated and compared synthetically using ball-on-disk tribometer. It was found that Tisbnd N, Tisbnd C, Tisbnd Nsbnd C and Csbnd C bonds were formed. The TiN/TiNC film was composed of TiN, TiC and TiNC phases. Hardness and adhesion force results indicated that although the TiN film possessed the highest hardness, its adhesion force was lowest among all the films. Tribological test results showed that the friction coefficient of TiN/TiNC was much lower than that of TiN and the wear rate decreases remarkably from 2.3 × 10-15 m3/Nm to 7.1 × 10-16 m3/Nm, which indicated the TiN/TiNC film has better wear resistance.

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

International Nuclear Information System (INIS)

Pauzat, F.; Ellinger, Y.; Mclean, A.D.

1991-01-01

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case. 20 refs

Evidence of significant covalent bonding in Au(CN)(2)(-).

Science.gov (United States)

Wang, Xue-Bin; Wang, Yi-Lei; Yang, Jie; Xing, Xiao-Peng; Li, Jun; Wang, Lai-Sheng

2009-11-18

The Au(CN)(2)(-) ion is the most stable Au compound known for centuries, yet a detailed understanding of its chemical bonding is still lacking. Here we report direct experimental evidence of significant covalent bonding character in the Au-C bonds in Au(CN)(2)(-) using photoelectron spectroscopy and comparisons with its lighter congeners, Ag(CN)(2)(-) and Cu(CN)(2)(-). Vibrational progressions in the Au-C stretching mode were observed for all detachment transitions for Au(CN)(2)(-), in contrast to the atomic-like transitions for Cu(CN)(2)(-), revealing the Au-C covalent bonding character. In addition, rich electronic structural information was obtained for Au(CN)(2)(-) by employing 118 nm detachment photons. Density functional theory and high-level ab initio calculations were carried out to understand the photoelectron spectra and obtain insight into the nature of the chemical bonding in the M(CN)(2)(-) complexes. Significant covalent character in the Au-C bonding due to the strong relativistic effects was revealed in Au(CN)(2)(-), consistent with its high stability.

Study of interaction in systems of MoCl/sub 5/-MeCl/sub 2/ (Me - Sn, Zn, Cd, Hg) - a solvent

Energy Technology Data Exchange (ETDEWEB)

Golub, A M; Trachevskii, V V; Ul' ko, N V [Kievskij Gosudarstvennyj Univ. (Ukrainian SSR)

1978-04-01

Interaction of Mo(5) with dichlorides of tin, zinc, cadmium and mercury in organic solvents was studied by preparative methods, by electron, epr, infrared spectrometry and by conductometry. A polynuclear diamagnetic compound with Mo(5):Sn(2) ratio of 2:1 formed in acetone. A coordination polynuclear compound of (MoOCl/sub 3/)/sub 2/xSnCl/sub 2/x2CH/sub 3/CN was isolated from acetonitrile. It is shown that formation of solvate-chloride and solvate complexes of Mo(5) in solvents depends both on the solvating capacity of the solvent and on stability of the MeCl/sup -3/ (Me is Sn, Zn, Cd, Hg) chloride complex, which grows in the Zn < Sn < Cd < Hg series.

Effects of Disorder on the Pressure-Induced Mott Transition in κ-(BEDT-TTF2Cu[N(CN2]Cl

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Elena Gati

2018-01-01

Full Text Available We present a study of the influence of disorder on the Mott metal-insulator transition for the organic charge-transfer salt κ -(BEDT-TTF 2 Cu[N(CN 2 ]Cl. To this end, disorder was introduced into the system in a controlled way by exposing the single crystals to X-ray irradiation. The crystals were then fine-tuned across the Mott transition by the application of continuously controllable He-gas pressure at low temperatures. Measurements of the thermal expansion and resistance show that the first-order character of the Mott transition prevails for low irradiation doses achieved by irradiation times up to 100 h. For these crystals with a moderate degree of disorder, we find a first-order transition line which ends in a second-order critical endpoint, akin to the pristine crystals. Compared to the latter, however, we observe a significant reduction of both, the critical pressure p c and the critical temperature T c . This result is consistent with the theoretically-predicted formation of a soft Coulomb gap in the presence of strong correlations and small disorder. Furthermore, we demonstrate, similar to the observation for the pristine sample, that the Mott transition after 50 h of irradiation is accompanied by sizable lattice effects, the critical behavior of which can be well described by mean-field theory. Our results demonstrate that the character of the Mott transition remains essentially unchanged at a low disorder level. However, after an irradiation time of 150 h, no clear signatures of a discontinuous metal-insulator transition could be revealed anymore. These results suggest that, above a certain disorder level, the metal-insulator transition becomes a smeared first-order transition with some residual hysteresis.

Two-equivalent electrochemical reduction of a cyano-complex [TlIII(CN)2]+ and the novel di-nuclear compound [(CN)5PtII-TlIII]0

International Nuclear Information System (INIS)

Dolidze, Tina D.; Khoshtariya, Dimitri E.; Behm, Martin; Lindbergh, Goeran; Glaser, Julius

2005-01-01

Extending our recent insights in two-electron transfer microscopic mechanisms for a Tl III /Tl I redox system [D.E. Khoshtariya, et al., Inorg. Chem. 41 (2002) 1728], the electrochemical response of glassy carbon electrode in acidified solutions of Tl III (ClO 4 ) 3 containing different concentrations of sodium cyanide has been extensively studied for the first time by use of cyclic voltammetry and the CVSIM curve simulation PC program. The complex [Tl III (CN) 2 ] + has been thoroughly identified electrochemically and shown to display a single well-defined reduction wave (which has no anodic counterpart), ascribed to the two-equivalent process yielding [Tl I (aq)] + . This behavior is similar to that of [Tl III (aq)] 3+ ion in the absence of sodium cyanide, disclosed in the previous work, and is compatible with the quasi-simultaneous yet sequential two-electron transfer pattern (with two reduction waves merged in one), implying the rate-determining first electron transfer step (resulting in the formation of a covalently interacting di-thallium complex as a metastable intermediate), and the fast second electron transfer step. Some preliminary studies of the two-equivalent reduction of directly metal-metal bonded stable compound [(CN) 5 Pt II -Tl III ] 0 has been also performed displaying two reduction waves compatible with a true sequential pattern

Halogen Bonding Involving CO and CS with Carbon as the Electron Donor

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Janet E. Del Bene

2017-11-01

Full Text Available MP2/aug’-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2. CO forms only complexes stabilized by traditional halogen bonds, and all ClY molecules form traditional halogen-bonded complexes with SC, except ClF which forms only an ion-pair complex. Ion-pair complexes are also found on the SC:ClNC and SC:ClCl surfaces. SC:ClY complexes stabilized by traditional halogen bonds have greater binding energies than the corresponding OC:ClY complexes. The largest binding energies are found for the ion-pair SC–Cl+:−Y complexes. The transition structures which connect the complex and the ion pair on SC:ClNC and SC:ClCl potential surfaces provide the barriers for inter-converting these structures. Charge-transfer from the lone pair on C to the σ-hole on Cl is the primary charge-transfer interaction stabilizing OC:ClY and SC:ClY complexes with traditional halogen bonds. A secondary charge-transfer occurs from the lone pairs on Cl to the in-plane and out-of-plane π antibonding orbitals of ClY. This secondary interaction assumes increased importance in the SC:ClNH2 complex, and is a factor leading to its unusual structure. C–O and C–S stretching frequencies and 13C chemical shieldings increase upon complex formation with ClY molecules. These two spectroscopic properties clearly differentiate between SC:ClY complexes and SC–Cl+:−Y ion pairs. Spin–spin coupling constants 1xJ(C–Cl for OC:ClY complexes increase with decreasing distance. As a function of the C–Cl distance, 1xJ(C–Cl and 1J(C–Cl provide a fingerprint of the evolution of the halogen bond from a traditional halogen bond in the complexes, to a chlorine-shared halogen bond in the transition structures, to a covalent bond in the ion pairs.

A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

Science.gov (United States)

Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo

2015-03-01

The CN + C2H4 reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice-Ramsperger-Kassel-Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH2CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C2H3NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments.

Cyanide-limited complexation of molybdenum(III): synthesis of octahedral [Mo(CN)(6)](3-) and cyano-bridged [Mo(2)(CN)(11)](5-).

Science.gov (United States)

Beauvais, Laurance G; Long, Jeffrey R

2002-03-13

Octahedral coordination of molybdenum(III) is achieved by limiting the amount of cyanide available upon complex formation. Reaction of Mo(CF(3)SO(3))(3) with LiCN in DMF affords Li(3)[Mo(CN)(6)] x 6DMF (1), featuring the previously unknown octahedral complex [Mo(CN)(6)](3-). The complex exhibits a room-temperature moment of mu(eff) = 3.80 mu(B), and assignment of its absorption bands leads to the ligand field parameters Delta(o) = 24800 cm(-1) and B = 247 cm(-1). Further restricting the available cyanide in a reaction between Mo(CF(3)SO(3))(3) and (Et(4)N)CN in DMF, followed by recrystallization from DMF/MeOH, yields (Et(4)N)(5)[Mo(2)(CN)(11)] x 2DMF x 2MeOH (2). The dinuclear [Mo(2)(CN)(11)](5-) complex featured therein contains two octahedrally coordinated Mo(III) centers spanned by a bridging cyanide ligand. A fit to the magnetic susceptibility data for 2, gives J = -113 cm(-1) and g = 2.33, representing the strongest antiferromagnetic coupling yet observed through a cyanide bridge. Efforts to incorporate these new complexes in magnetic Prussian blue-type solids are ongoing.

The new carbodiimide Li_2Gd_2Sr(CN_2)_5 having a crystal structure related to that of Gd_2(CN_2)_3

International Nuclear Information System (INIS)

Unverfehrt, Leonid; Stroebele, Markus; Meyer, H. Juergen

2013-01-01

The new carbodiimide compounds Li_2RE_2Sr(CN_2)_5 (RE = Sm, Gd, Eu, Tb) were prepared by a straight forward solid state metathesis reaction of REF_3, SrF_2, and Li_2(CN_2) at around 600 C. The crystal structure of Li_2Gd_2Sr(CN_2)_5 was solved based on X-ray single-crystal diffraction data. Corresponding Li_2RE_2Sr(CN_2)_5 compounds were analyzed by isotypic indexing of their powder patterns. The crystal structure of Li_2Gd_2Sr(CN_2)_5 can be well related to that of Gd_2(CN_2)_3, because both structures are based on layered structures composed of close packed layers of [N=C=N]"2"- sticks, alternating with layers of metal ions. The crystal structure of Li_2Gd_2Sr(CN_2)_5 can be considered to contain an ABC layer sequence of [N = C=N]"2"- layers with the interlayer voids being occupied by (three) distinct types of cations. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

NbCN Josephson junctions with AlN barriers

International Nuclear Information System (INIS)

Thomasson, S.L.; Murduck, J.M.; Chan, H.

1991-01-01

This paper reports on niobium carbonitride (NbCN) Josephson circuits which operate over a wider temperature range than either niobium or niobium nitride circuits. Higher operating temperature places NbCN technology more comfortably within the range of closed cycle refrigerators, a key factor in aerospace applications. We have fabricated tunnel junctions from NbCN films with transition temperatures up to 18 Kelvin. High quality NbCN tunnel junction fabrication generally requires low stress films with roughness less than the barrier thickness (∼20 Angstrom). We have developed scanning tunneling microscopy as a tool for measuring and optimizing film smoothness. Junctions formed in situ with AIN tunneling barriers show reproducible I-V characteristics

Estimation of CN Parameter for Small Agricultural Watersheds Using Asymptotic Functions

Directory of Open Access Journals (Sweden)

Tomasz Kowalik

2015-03-01

Full Text Available This paper investigates a possibility of using asymptotic functions to determine the value of curve number (CN parameter as a function of rainfall in small agricultural watersheds. It also compares the actually calculated CN with its values provided in the Soil Conservation Service (SCS National Engineering Handbook Section 4: Hydrology (NEH-4 and Technical Release 20 (TR-20. The analysis showed that empirical CN values presented in the National Engineering Handbook tables differed from the actually observed values. Calculations revealed a strong correlation between the observed CN and precipitation (P. In three of the analyzed watersheds, a typical pattern of the observed CN stabilization during abundant precipitation was perceived. It was found that Model 2, based on a kinetics equation, most effectively described the P-CN relationship. In most cases, the observed CN in the investigated watersheds was similar to the empirical CN, corresponding to average moisture conditions set out by NEH-4. Model 2 also provided the greatest stability of CN at 90% sampled event rainfall.

Strong white and blue photoluminescence from silicon nanocrystals in SiNx grown by remote PECVD using SiCl4/NH3

International Nuclear Information System (INIS)

Benami, A; Santana, G; Ortiz, A; Ponce, A; Romeu, D; Aguilar-Hernandez, J; Contreras-Puente, G; Alonso, J C

2007-01-01

Strong white and blue photoluminescence (PL) from as-grown silicon nanocrystals (nc-Si) in SiN x films prepared by remote plasma enhanced chemical vapour deposition using SiCl 4 /NH 3 mixtures is reported. The colour and intensity of the PL could be controlled by adjusting the NH 3 flow rate. Samples with white emission were annealed at 1000 deg. C, obtaining a strong improvement of the PL intensity with a blue colour. The PL can be attributed to quantum confinement effect in nc-Si embedded in SiN x matrix, which is improved when a better passivation of nc-Si surface with chlorine and nitrogen atoms is obtained. The size, density and structure of the nc-Si in the as-grown and annealed films were confirmed and measured by high-resolution transmission electron microscopy

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

Science.gov (United States)

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

2009-03-02

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

CN in the Sgr A* environment - first results

International Nuclear Information System (INIS)

Stankovic, M; Seaquist, E R; Muehle, S

2006-01-01

The radical CN, through the CN/HCN ratio, has proven to be an exceptionally good tool to study the photodissociation regions (PDRs) dominated by FUV radiation. Our region of interest, the circumnuclear disk (CND) surrounding Sgr A*, is exposed to the strong UV radiation field originating from the central stellar cluster. It contains potentially star forming cores recently elucidated by interferometric HCN observations with OVRO by Christopher et al. (2005). We present the results of preliminary observations of CN (N = 2-l) transitions with the IRAM 30-m telescope and report, for the first time, detection of CN emission in the GC region indicative of PDR, activity. This work motivates the further investigation of the role of PDRs in the clumpy medium of the Galactic center (GC) environment in global photodissociation and in promoting or inhibiting star formation in the CND

Structural studies of n-type nc-Si-QD thin films for nc-Si solar cells

Science.gov (United States)

Das, Debajyoti; Kar, Debjit

2017-12-01

A wide optical gap nanocrystalline silicon (nc-Si) dielectric material is a basic requirement at the n-type window layer of nc-Si solar cells in thin film n-i-p structure on glass substrates. Taking advantage of the high atomic-H density inherent to the planar inductively coupled low-pressure (SiH4 + CH4)-plasma, development of an analogous material in P-doped nc-Si-QD/a-SiC:H network has been tried. Incorporation of C in the Si-network extracted from the CH4 widens the optical band gap; however, at enhanced PH3-dilution of the plasma spontaneous miniaturization of the nc-Si-QDs below the dimension of Bohr radius (∼4.5 nm) further enhances the band gap by virtue of the quantum size effect. At increased flow rate of PH3, dopant induced continuous amorphization of the intrinsic crystalline network is counterbalanced by the further crystallization promoted by the supplementary atomic-H extracted from PH3 (1% in H2) in the plasma, eventually holding a moderately high degree of crystallinity. The n-type wide band gap (∼1.93 eV) window layer with nc-Si-QDs in adequate volume fraction (∼52%) could furthermore be instrumental as an effective seed layer for advancing sequential crystallization in the i-layer of nc-Si solar cells with n-i-p structure in superstrate configuration.

Non-leptonic kaon decays at large Nc

Science.gov (United States)

Donini, Andrea; Hernández, Pilar; Pena, Carlos; Romero-López, Fernando

2018-03-01

We study the scaling with the number of colors Nc of the weak amplitudes mediating kaon mixing and decay, in the limit of light charm masses (mu = md = ms = mc). The amplitudes are extracted directly on the lattice for Nc = 3 - 7 (with preliminar results for Nc = 8 and 17) using twisted mass QCD. It is shown that the (sub-leading) 1 /Nc corrections to B\\hatk are small and that the naive Nc → ∞ limit, B\\hatk = 3/4, seems to be recovered. On the other hand, the O (1/Nc) corrections in K → ππ amplitudes (derived from K → π matrix elements) are large and fully anti-correlated in the I = 0 and I = 2 channels. This may have some implications for the understanding of the ΔI = 1/2 rule.

Anhydrous ZnCl2: A Highly Efficient Reagent for Facile and Regioselective Conversion of Epoxides to β-Chlorohydrins

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Ronak Eisavi

2016-01-01

Full Text Available Facile conversion of structurally different epoxides to the corresponding β-chlorohydrins was carried out successfully with anhydrous ZnCl2 in CH3CN. The reactions were carried out within 10-50 min to give β-chlorohydrins with perfect regioselectivity and high yields (80-97%.

A Small-Unit Amphibious Operation Combat Model.

Science.gov (United States)

1983-03-01

7THE FuNCTICNS HloSPD, IND PNG, "tHE ARGUMENT T C IS 71IE TIME SIhCE 11-E ’othvE 6EYNG 40ORESSE-D C CPCSSEO IHE 50CO PETER GFFSHCFE M4ARK~ C...SSpD𔃿FFD0(I m PXX()-A.ACCNG5SI.* G /SZPO PXY( ! )-(?.! !ANLC4-’,*( -Al ISSP; C ALL VAL(,ES N~C% IN PETERS CN 0 -- 109000 GRID 1CC CCT114UE REtC(5...EACH SUCH ELLIPSE NE IS=0 C lIiiAXaC . IF(NCVcL!*EQ.Cl GCIO 270 Do ZeC K;I;fGFSC I A’IGX( I) I 𔄁. IGY (K I NaNC(IX, IY) IF(?d.EQ.0D GC TC 26C 128

Spectroscopic and quantum-chemical investigation of association of ions in acetonitrile - LiX (X=I, ClO4, NCS) systems

International Nuclear Information System (INIS)

Semenov, S.G.; Solov'eva, L.A.; Akopyan, S.Kh.

1995-01-01

Data on association constants of ions in acetonitrile-salt binary systems, obtained from the data on intensity of IR absorption bands of acetonitrile (Acn) molecules contained in solvate shells of Li + cations, have been analyzed. Using the CCP MO LCAO semiempirical method in the PPDP approximation, electronic structure of acetonitrile molecule and Acn k Li + and Acn m Li + X - complexes has been studied. It is ascertained that relative stability of ionic pairs Acn 3 Li + X - , estimated by the squares of their dipole momenta (characterizing solvation energy) increases in the series X=I, ClO 4 , NCS in agreement with data of spectroscopic experiment, according to which the constant of ion association for LiNCS solution in acetonitrile is much higher than for the systems CH 3 CN-LiI and CH 3 CN-LiClO 4 . 13 refs.,2 figs., 2 tabs.64

Preparation and Characterization of cis- and trans-[Ir(tn)2Cl2]CF3SO3 and of [Ir(tn)3]Cl3 (tn=propane-1,3-diamine)

DEFF Research Database (Denmark)

Brorson, Michael; Galsbøl, Frode; Simonsen, Kim

1998-01-01

for the preparation of [Rh(tn)3]Cl3 in quantitative yield from Rh(thtp)3Cl3 is also given. The complexes were characterized by 1H and 13C NMR and by UV/VIS spectroscopy. The conformation of the six-membered chelate rings of [Ir(tn)3]3+ in the solid state was determined by single-crystal X-ray diffraction of [Ir(tn)3......Procedures are given for the preparation and isolation of cis- and trans-[Ir(tn)2Cl2]CF3SO3 and of [Ir(tn)3]Cl3, (tn=propane-1,3-diamine). The compounds were prepared by the use of Ir(thtp)3Cl3 (thtp=tetrahydrothiophene) as starting material, using either DMSO or neat tn as solvent. A procedure......] [Co(CN)6] x 5H2O. The three chelate rings all adopt the energetically favoured chair conformation; however, the overall idealized symmetry is C1. A comparative ligand field analysis, based on Gaussian resolution of the solution UV/VIS spectra for a number of homoleptic [M(N6)]3+ (M=CoIII, RhIII, Ir...

Homocoupling of aryl halides in flow: Space integration of lithiation and FeCl3 promoted homocoupling

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Aiichiro Nagaki

2011-08-01

Full Text Available The use of FeCl3 resulted in a fast homocoupling of aryllithiums, and this enabled its integration with the halogen–lithium exchange reaction of aryl halides in a flow microreactor. This system allows the homocoupling of two aryl halides bearing electrophilic functional groups, such as CN and NO2, in under a minute.

Ion beam analysis, corrosion resistance and nanomechanical properties of TiAlCN/CN{sub x} multilayer grown by reactive magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Alemón, B.; Flores, M. [Departamento de Ingeniería de Proyectos, CUCEI, Universidad de Guadalajara, J. Guadalupe Zuno 48, Los Belenes, Zapopan, Jal. 45101 (Mexico); Canto, C. [Instituto de Física, UNAM, Avenida de la Investigación S/N, Coyoacán, Mexico, DF 04510 (Mexico); Andrade, E., E-mail: andrade@fisica.unam.mx [Instituto de Física, UNAM, Avenida de la Investigación S/N, Coyoacán, Mexico, DF 04510 (Mexico); Lucio, O.G. de [Instituto de Física, UNAM, Avenida de la Investigación S/N, Coyoacán, Mexico, DF 04510 (Mexico); Rocha, M.F. [ESIME-Z, Instituto Politécnico Nacional, ALM Zacatenco, Mexico, DF 07738 (Mexico); Broitman, E. [Thin Films Physics Division, IFM, Linköping University, SE-58183 Linköping (Sweden)

2014-07-15

A novel TiAlCN/CN{sub x} multilayer coating, consisting of nine TiAlCN/CN{sub x} periods with a top layer 0.5 μm of CN{sub x}, was designed to enhance the corrosion resistance of CoCrMo biomedical alloy. The multilayers were deposited by dc and RF reactive magnetron sputtering from Ti{sub 0.5}Al{sub 0.5} and C targets respectively in a N{sub 2}/Ar plasma. The corrosion resistance and mechanical properties of the multilayer coatings were analyzed and compared to CoCrMo bulk alloy. Ion beam analysis (IBA) and X-ray diffraction tests were used to measure the element composition profiles and crystalline structure of the films. Corrosion resistance was evaluated by means of potentiodynamic polarization measurements using simulated body fluid (SBF) at typical body temperature and the nanomechanical properties of the multilayer evaluated by nanoindentation tests were analyzed and compared to CoCrMo bulk alloy. It was found that the multilayer hardness and the elastic recovery are higher than the substrate of CoCrMo. Furthermore the coated substrate shows a better general corrosion resistance than that of the CoCrMo alloy alone with no observation of pitting corrosion.

A vaccine formulation combining rhoptry proteins NcROP40 and NcROP2 improves pup survival in a pregnant mouse model of neosporosis.

Science.gov (United States)

Pastor-Fernández, Iván; Arranz-Solís, David; Regidor-Cerrillo, Javier; Álvarez-García, Gema; Hemphill, Andrew; García-Culebras, Alicia; Cuevas-Martín, Carmen; Ortega-Mora, Luis M

2015-01-30

Currently there are no effective vaccines for the control of bovine neosporosis. During the last years several subunit vaccines based on immunodominant antigens and other proteins involved in adhesion, invasion and intracellular proliferation of Neospora caninum have been evaluated as targets for vaccine development in experimental mouse infection models. Among them, the rhoptry antigen NcROP2 and the immunodominant NcGRA7 protein have been assessed with varying results. Recent studies have shown that another rhoptry component, NcROP40, and NcNTPase, a putative dense granule antigen, exhibit higher expression levels in tachyzoites of virulent N. caninum isolates, suggesting that these could be potential vaccine candidates to limit the effects of infection. In the present work, the safety and efficacy of these recombinant antigens formulated in Quil-A adjuvant as monovalent vaccines or pair-wise combinations (rNcROP40+rNcROP2 and rNcGRA7+rNcNTPase) were evaluated in a pregnant mouse model of neosporosis. All the vaccine formulations elicited a specific immune response against their respective native proteins after immunization. Mice vaccinated with rNcROP40 and rNcROP2 alone or in combination produced the highest levels of IFN-γ and exhibited low parasite burdens and low IgG antibody levels after the challenge. In addition, most of the vaccine formulations were able to increase the median survival time in the offspring. However, pup survival only ensued in the groups vaccinated with rNcROP40+rNcROP2 (16.2%) and rNcROP2 (6.3%). Interestingly, vertical transmission was not observed in those survivor pups immunized with rNcROP40+rNcROP2, as shown by PCR analyses. These results show a partial protection against N. caninum infection after vaccination with rNcROP40+rNcROP2, suggesting a synergistic effect of the two recombinant rhoptry antigens. Copyright © 2014 Elsevier B.V. All rights reserved.

Phonon dispersion curves for CsCN

International Nuclear Information System (INIS)

Gaur, N.K.; Singh, Preeti; Rini, E.G.; Galgale, Jyostna; Singh, R.K.

2004-01-01

The motivation for the present work was gained from the recent publication on phonon dispersion curves (PDCs) of CsCN from the neutron scattering technique. We have applied the extended three-body force shell model (ETSM) by incorporating the effect of coupling between the translation modes and the orientation of cyanide molecules for the description of phonon dispersion curves of CsCN between the temperatures 195 and 295 K. Our results on PDCs in symmetric direction are in good agreement with the experimental data measured with inelastic neutron scattering technique. (author)

NC10 bacteria in marine oxygen minimum zones

DEFF Research Database (Denmark)

Padilla, Cory C; Bristow, Laura A; Sarode, Neha

2016-01-01

Bacteria of the NC10 phylum link anaerobic methane oxidation to nitrite denitrification through a unique O2-producing intra-aerobic methanotrophy pathway. A niche for NC10 in the pelagic ocean has not been confirmed. We show that NC10 bacteria are present and transcriptionally active in oceanic....... rRNA and mRNA transcripts assignable to NC10 peaked within the OMZ and included genes of the putative nitrite-dependent intra-aerobic pathway, with high representation of transcripts containing the unique motif structure of the nitric oxide (NO) reductase of NC10 bacteria, hypothesized...

Virtual NC machine model with integrated knowledge data

International Nuclear Information System (INIS)

Sidorenko, Sofija; Dukovski, Vladimir

2002-01-01

The concept of virtual NC machining was established for providing a virtual product that could be compared with an appropriate designed product, in order to make NC program correctness evaluation, without real experiments. This concept is applied in the intelligent CAD/CAM system named VIRTUAL MANUFACTURE. This paper presents the first intelligent module that enables creation of the virtual models of existed NC machines and virtual creation of new ones, applying modular composition. Creation of a virtual NC machine is carried out via automatic knowledge data saving (features of the created NC machine). (Author)

7 CFR Appendix C to Part 226 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

...). EC17SE91.009 (c) The CN label statement includes the following: (1) The product identification number... 7 Agriculture 4 2010-01-01 2010-01-01 false Child Nutrition (CN) Labeling Program C Appendix C to.... C Appendix C to Part 226—Child Nutrition (CN) Labeling Program 1. The Child Nutrition (CN) Labeling...

7 CFR Appendix C to Part 225 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

...). EC17SE91.006 (c) The CN label statement includes the following: (1) The product identification number... 7 Agriculture 4 2010-01-01 2010-01-01 false Child Nutrition (CN) Labeling Program C Appendix C to... Appendix C to Part 225—Child Nutrition (CN) Labeling Program 1. The Child Nutrition (CN) Labeling Program...

Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands.

Science.gov (United States)

Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Liu, Yun; Mu, Qiang

2017-07-17

To explore stable polynuclear magnetic superhalogens, we perform an unbiased structure search for polynuclear iron-based systems based on pseudohalogen ligand CN using the CALYPSO method in conjunction with density functional theory. The superhalogen properties, magnetic properties, and thermodynamic stabilities of neutral and anionic Fe 2 (CN) 5 and Fe 3 (CN) 7 clusters are investigated. The results show that both of the clusters have superhalogen properties due to their electron affinities (EAs) and that vertical detachment energies (VDEs) are significantly larger than those of the chlorine element and their ligand CN. The distribution of the extra electron analysis indicates that the extra electron is aggregated mainly into pseudohalogen ligand CN units in Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ cluster. These features contribute significantly to their high EA and VDE. Besides superhalogen properties, these two anionic clusters carry a large magnetic moment just like the Fe 2 F 5 ¯ cluster. Additionally, the thermodynamic stabilities are also discussed by calculating the energy required to fragment the cluster into various smaller stable clusters. It is found that Fe(CN) 2 is the most favorable fragmentation product for anionic Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ clusters, and both of the anions are less stable against ejection of Fe atoms than Fe(CN) n-x .

A theoretical study of spectroscopy and metastability of the CN2+ dication

Czech Academy of Sciences Publication Activity Database

Fišer, J.; Polák, Rudolf

2012-01-01

Roč. 392, č. 1 (2012), s. 55-62 ISSN 0301-0104 Institutional research plan: CEZ:AV0Z40400503 Keywords : CN * CN+ * CN2+ Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.957, year: 2012

Seismotectonic models and CN algorithm: The case of Italy

International Nuclear Information System (INIS)

Costa, G.; Orozova Stanishkova, I.; Panza, G.F.; Rotwain, I.M.

1995-07-01

The CN algorithm is here utilized both for the intermediate term earthquake prediction and to validate the seismotectonic model of the Italian territory. Using the results of the analysis, made through the CN algorithm and taking into account the seismotectonic model, three areas, one for Northern Italy, one for Central Italy and one for Southern Italy, are defined. Two transition areas, between the three main areas are delineated. The earthquakes which occurred in these two areas contribute to the precursor phenomena identified by the CN algorithm in each main area. (author). 26 refs, 6 figs, 2 tabs

Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)···HCH2NO2 (Hal = Cl, Br, I) hydrogen bonding.

Science.gov (United States)

Gushchin, Pavel V; Kuznetsov, Maxim L; Wang, Qian; Karasik, Andrey A; Haukka, Matti; Starova, Galina L; Kukushkin, Vadim Yu

2012-06-21

The previously predicted ability of the methyl group of nitromethane to form hydrogen bonding with halides is now confirmed experimentally based on X-ray data of novel nitromethane solvates followed by theoretical ab initio calculations at the MP2 level of theory. The cationic (1,3,5-triazapentadiene)Pt(II) complexes [Pt{HN=C(NC(5)H(10))N(Ph)C(NH(2))=NPh}(2)](Cl)(2), [1](Hal)(2) (Hal = Cl, Br, I), and [Pt{HN=C(NC(4)H(8)O)N(Ph)C(NH(2))=NPh}(2)](Cl)(2), [2](Cl)(2), were crystallized from MeNO(2)-containing systems providing nitromethane solvates studied by X-ray diffraction. In the crystal structure of [1][(Hal)(2)(MeNO(2))(2)] (Hal = Cl, Br, I) and [2][(Cl)(2)(MeNO(2))(2)], the solvated MeNO(2) molecules occupy vacant spaces between lasagna-type layers and connect to the Hal(-) ion through a weak hydrogen bridge via the H atom of the methyl thus forming, by means of the Hal(-)···HCH(2)NO(2) contact, the halide-nitromethane cluster "filling". The quantum-chemical calculations demonstrated that the short distance between the Hal(-) anion and the hydrogen atom of nitromethane in clusters [1][(Hal)(2)(MeNO(2))(2)] and [2][(Cl)(2)(MeNO(2))(2)] is not just a consequence of the packing effect but a result of the moderately strong hydrogen bonding.

Raman study of vibrational dephasing in liquid CH3CN and CD3CN

International Nuclear Information System (INIS)

Schroeder, J.; Schiemann, V.H.; Sharko, P.T.; Jonas, J.

1977-01-01

The Raman line shapes of the ν 1 (a 1 ) C--H and C--D fundamentals in liquid acetonitrile and acetonitrile-d 3 have been measured as a function of pressure up to 4 kbar within the temperature interval 30--120 degreeC. Densities have also been determined. From the isotropic component of the vibrational Raman band shape the vibrational relaxation times have been obtained as a function of temperature and pressure (density). The experimental results can be summarized as follows: (i) as T increases at constant density rho, the vibrational relaxation rate (tau/sub vib/) -1 increases; (ii) at constant T as density is raised tau/sub vib/ -1 increases; (iii) at constant pressure the T increase produces higher tau/sub vib/ -1 , however, the change is more pronounced for the CD 3 CN liquid. Isotopic dilution studies of the CH 3 CN/CD 3 CN mixtures shows no significant effect on (tau/sub vib/ -1 ). The experimental data are interpreted in terms of the Kubo stochastic line shape theory and the dephasing model of Fischer and Laubereau. The results based on Kubo formalism indicate that dephasing is the dominant relaxation mechanism and that the modulation is fast. The isolated binary collision model proposed by Fischer and Laubereau for vibrational dephasing reproduces the essential features of the density and temperature dependence of the (tau/sub vib/) -1 and suggests that pure dephasing is the dominant broadening mechanism for the isotropic line shapes studied. In the calculation the elastic collision times were approximated by the Enskog relaxation times

Specific heat measurements of the antiferroelectric phase transition in the mixed system KCN sub(x)Cl sub(1-x)

International Nuclear Information System (INIS)

Ghivelder, L.; Bastos, C.A.M.; Ribeiro, P.C.; Weid, J.P. von der.

1984-01-01

The specific heat of KCN sub(x)Cl sub(1-x) mixed crystals was measured for four chlorine concentrations between x=0,90 and x=1,00. The entropy change ΔS and critical temperature T sub(c) were obtained and the results are discussed in terms of the orientational motion of the CN - molecular ions. (Author) [pt

Installation Restoration Program. Phase 2. Confirmation/Quantification. Stage 1. Air Force Plant 4, Fort Worth, Texas. Volume 3. Appendix A-1 (Continued).

Science.gov (United States)

1987-12-01

GAO 0 2L -4e- - Lq*Lio rol -4 1 IOU CI S W a G-v a. IV0 0 J= C. Ic LG 4sa C...8217 ’ ~ -i CIj -43j ~LU . l co r I_- z3 335 0- C= cu w- CDP aIC. *I lr_ - CkIJ LA-. n= C G C=> gao ’ GeL) =31 CAEl = C- C-10. LLaJ 1= w CL -* I t CI or SLLJ...6- Z u - a a qcrLLJ < nC Liu~ LI i LL.J CL. w <r LL <r 03 440 -x C= cn z4 -. - XM Z~ A ~ ’’ ~ "~’ , 4 *.\\~.S~4’N’~~’ - Iz JINI 1 *~ I- LLW W, a,

Sorption Mechanisms of Cesium on Cu II2Fe II(CN) 6and Cu II3[Fe III(CN) 6] 2Hexacyanoferrates and Their Relation to the Crystalline Structure

Science.gov (United States)

Ayrault, S.; Jimenez, B.; Garnier, E.; Fedoroff, M.; Jones, D. J.; Loos-Neskovic, C.

1998-12-01

CuII2FeII(CN)6·xH2O and CuII3[FeIII(CN)6]2·xH2O can be prepared with reproducible chemical compositions and structures after careful washing. They have cubicFmoverline3mstructures with iron vacancies. In CuII2FeII(CN)6, copper occupies two different sites: Cu1 in position 4blinked to Fe through the CN groups, and Cu2 not linked to the CN groups and partially occupying the interstitial 24epositions. The second type of site is not present in CuII3[FeIII(CN)6]2. Sorption kinetics and isotherms were determined for cesium on both hexacyanoferrates by batch experiments. On CuII3[FeIII(CN)6]2, the maximum uptake is only 0.073 Cs/Fe (at./at.). On CuII2FeII(CN)6, the uptake reaches 1.5 Cs/Fe. The sorption kinetics include at least two steps: at1/2variation until approximately 72 h and then a slow evolution studied up to 6 months. The sorption mechanism is complex. The main process seems to be diffusion of ion pairs, followed by a reorganization of the solid, resulting in one or more new solid phases. The presence of the Cu2 site seems to play a favorable role in the sorption. Owing to its good midterm stability and the first rapid step of exchange, CuII2FeII(CN)6·xH2O seems to be one of the most promising compounds for the recovery of cesium from nuclear liquid wastes.

Surface regulated arsenenes as Dirac materials: From density functional calculations

International Nuclear Information System (INIS)

Yuan, Junhui; Xie, Qingxing; Yu, Niannian; Wang, Jiafu

2017-01-01

Highlights: • The presence of Dirac cones in chemically decorated buckled arsenene AsX (X = CN, NC, NCO, NCS, and NCSe) has been revealed. • First-principles calculations show that all these chemically decorated arsenenes are kinetically stable in defending thermal fluctuations in room temperature. - Abstract: Using first principle calculations based on density functional theory (DFT), we have systematically investigated the structure stability and electronic properties of chemically decorated arsenenes, AsX (X = CN, NC, NCO, NCS and NCSe). Phonon dispersion and formation energy analysis reveal that all the five chemically decorated buckled arsenenes are energetically favorable and could be synthesized. Our study shows that wide-bandgap arsenene would turn into Dirac materials when functionalized by -X (X = CN, NC, NCO, NCS and NCSe) groups, rendering new promises in next generation high-performance electronic devices.

ncRNA consensus secondary structure derivation using grammar strings.

Science.gov (United States)

Achawanantakun, Rujira; Sun, Yanni; Takyar, Seyedeh Shohreh

2011-04-01

Many noncoding RNAs (ncRNAs) function through both their sequences and secondary structures. Thus, secondary structure derivation is an important issue in today's RNA research. The state-of-the-art structure annotation tools are based on comparative analysis, which derives consensus structure of homologous ncRNAs. Despite promising results from existing ncRNA aligning and consensus structure derivation tools, there is a need for more efficient and accurate ncRNA secondary structure modeling and alignment methods. In this work, we introduce a consensus structure derivation approach based on grammar string, a novel ncRNA secondary structure representation that encodes an ncRNA's sequence and secondary structure in the parameter space of a context-free grammar (CFG) and a full RNA grammar including pseudoknots. Being a string defined on a special alphabet constructed from a grammar, grammar string converts ncRNA alignment into sequence alignment. We derive consensus secondary structures from hundreds of ncRNA families from BraliBase 2.1 and 25 families containing pseudoknots using grammar string alignment. Our experiments have shown that grammar string-based structure derivation competes favorably in consensus structure quality with Murlet and RNASampler. Source code and experimental data are available at http://www.cse.msu.edu/~yannisun/grammar-string.

Inherent and antigen-induced airway hyperreactivity in NC mice

Directory of Open Access Journals (Sweden)

Tetsuto Kobayashi

1999-01-01

Full Text Available In order to clarify the airway physiology of NC mice, the following experiments were carried out. To investigate inherent airway reactivity, we compared tracheal reactivity to various chemical mediators in NC, BALB/c, C57BL/6 and A/J mice in vitro. NC mice showed significantly greater reactivity to acetylcholine than BALB/c and C57BL/6 mice and a reactivity comparable to that of A/J mice, which are known as high responders. Then, airway reactivity to acetylcholine was investigated in those strains in vivo. NC mice again showed comparable airway reactivity to that seen in A/J mice and a significantly greater reactivity than that seen in BALB/c and C57BL/6 mice. To investigate the effects of airway inflammation on airway reactivity to acetylcholine in vivo, NC and BALB/c mice were sensitized to and challenged with antigen. Sensitization to and challenge with antigen induced accumulation of inflammatory cells, especially eosinophils, in lung and increased airway reactivity in NC and BALB/c mice. These results indicate that NC mice exhibit inherent and antigen-induced airway hyperreactivity. Therefore, NC mice are a suitable strain to use in investigating the mechanisms underlying airway hyperreactivity and such studies will provide beneficial information for understanding the pathophysiology of asthma.

Polarization due to dust scattering in the planetary nebula Cn1-1

International Nuclear Information System (INIS)

Bhatt, H.C.

1989-01-01

The peculiar emission-line object Cn1-1 (=HDE330036=PK330+4 degrees 1), classified both as a symbiotic star and as a planetary nebula, was detected by the Infrared Astronomical Satellite (IRAS) as a strong source of far-infrared dust in the system. Bhatt and Mallik (1986) discussed the nature of the dust in Cn1-1 and argued that the object is a Type I protoplanetary nebula in a binary system. The argument presented here is that the polarization is intrinsic to Cn1-1 and is due to scattering by large (compared to interstellar) dust grains in the protoplanetary nebula that are asymmetrically distributed around the central star. The large degree of polarization (approximately 3 percent for the Cn1-1 distance of approximately 450 pc) with a large lambda(sub max) is naturally explained if it is caused by scattering by large dust grains in the Cn1-1 nebula. Since the H(sub alpha) line is also polarized at the same level and position angle as the continuum, the dust must be asymmetrically distributed around the central star. The morphology of the protoplanetary nebula in Cn1-1 may be bipolar. Thus, the polarization observations support the suggestion that Cn1-1 is a bipolar Type I planetary nebula

New approach to neurorehabilitation: cranial nerve noninvasive neuromodulation (CN-NINM) technology

Science.gov (United States)

Danilov, Yuri P.; Tyler, Mitchel E.; Kaczmarek, Kurt A.; Skinner, Kimberley L.

2014-06-01

Cranial Nerve NonInvasive NeuroModulation (CN-NINM) is a primary and complementary multi-targeted rehabilitation therapy that appears to initiate the recovery of multiple damaged or suppressed brain functions affected by neurological disorders. It is deployable as a simple, home-based device (portable neuromodulation stimulator, or PoNSTM) and training regimen following initial patient training in an outpatient clinic. It may be easily combined with many existing rehabilitation therapies, and may reduce or eliminate the need for more aggressive invasive procedures or possibly decrease total medication intake. CN-NINM uses sequenced patterns of electrical stimulation on the tongue. Our hypothesis is that CN-NINM induces neuroplasticity by noninvasive stimulation of two major cranial nerves: trigeminal (CN-V), and facial (CN-VII). This stimulation excites a natural flow of neural impulses to the brainstem (pons varolli and medulla), and cerebellum, to effect changes in the function of these targeted brain structures, extending to corresponding nuclei of the brainstem. CN-NINM represents a synthesis of a new noninvasive brain stimulation technique with applications in physical medicine, cognitive, and affective neurosciences. Our new stimulation method appears promising for treatment of a full spectrum of movement disorders, and for both attention and memory dysfunction associated with traumatic brain injury.

Estimation of CN Parameter for Small Agricultural Watersheds Using Asymptotic Functions

OpenAIRE

Tomasz Kowalik; Andrzej Walega

2015-01-01

This paper investigates a possibility of using asymptotic functions to determine the value of curve number (CN) parameter as a function of rainfall in small agricultural watersheds. It also compares the actually calculated CN with its values provided in the Soil Conservation Service (SCS) National Engineering Handbook Section 4: Hydrology (NEH-4) and Technical Release 20 (TR-20). The analysis showed that empirical CN values presented in the National Engineering Handbook tables differed from t...

7 CFR Appendix C to Part 220 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

... product label that contains a CN label statement and CN logo as defined in paragraph 3 (b) and (c) below... statement” as defined in paragraph 3(c). EC17SE91.003 (c) The “CN label statement” includes the following... alternate product toward the meat/meat alternate, bread/bread alternate, and/or vegetable/fruit component of...

InterProScan Result: CN211485 [KAIKOcDNA[Archive

Lifescience Database Archive (English)

Full Text Available CN211485 CN211485_2_ORF1 AA5126E0BA1C15EC PRINTS PR00385 P450 3.6e-08 T IPR001128 Cytochrome P450 Molecular... Function: monooxygenase activity (GO:0004497)|Molecular Function: iron ion binding (GO:0005506)|Molecular... Function: electron carrier activity (GO:0009055)|Molecular Function: heme binding (GO:0020037) ...

A Novel Cyanide-Bridged Thulium-Nickel Heterobimetallic Polymeric Complex (H2O)2(DMF)10Tm2[Ni(CN)4]2[Ni(CN)4] including O-H···N Hydrogen Bond

International Nuclear Information System (INIS)

Chung, Janghoon; Park, Daeyoung; Song, Mina; Ha, Sungin; Kang, Ansoo; Moon, Sangbong; Ryu, Cheolhwi

2012-01-01

The experimental section lists the observed infrared absorption frequencies for the complex. Typically bridging CN ligands have higher stretching frequencies than the terminal CN ligands. Accordingly, cyanide stretching bands (2170, 2156, 2139 cm -1 . at higher frequencies than the stretching band (2127 cm -1 ) of K 2 [Ni(CN) 4 ] are assigned to bridging cyanide ligands. The band at 2128 cm -1 is assigned to terminal cyanide ligands because their location in the cyanide stretching region compares with the absorption observed for the nonbridging cyanide ligands in K 2 [Ni(CN) 4 ]. Array (H 2 O) 2 (DMF) 10 Tm 2 [Ni(CN) 4 ] 2 [Ni(CN) 4 ] and other lanthanide metal-Ni systems display similar CN stretching patterns in their spectra. A broad absorption band at 2950-3550 cm -1 was observed in the spectrum. This supports the presence of O-H···N intermolecular hydrogen bond interactions between the polymers

Improving Earth Science Metadata: Modernizing ncISO

Science.gov (United States)

O'Brien, K.; Schweitzer, R.; Neufeld, D.; Burger, E. F.; Signell, R. P.; Arms, S. C.; Wilcox, K.

2016-12-01

ncISO is a package of tools developed at NOAA's National Center for Environmental Information (NCEI) that facilitates the generation of ISO 19115-2 metadata from NetCDF data sources. The tool currently exists in two iterations: a command line utility and a web-accessible service within the THREDDS Data Server (TDS). Several projects, including NOAA's Unified Access Framework (UAF), depend upon ncISO to generate the ISO-compliant metadata from their data holdings and use the resulting information to populate discovery tools such as NCEI's ESRI Geoportal and NOAA's data.noaa.gov CKAN system. In addition to generating ISO 19115-2 metadata, the tool calculates a rubric score based on how well the dataset follows the Attribute Conventions for Dataset Discovery (ACDD). The result of this rubric calculation, along with information about what has been included and what is missing is displayed in an HTML document generated by the ncISO software package. Recently ncISO has fallen behind in terms of supporting updates to conventions such updates to the ACDD. With the blessing of the original programmer, NOAA's UAF has been working to modernize the ncISO software base. In addition to upgrading ncISO to utilize version1.3 of the ACDD, we have been working with partners at Unidata and IOOS to unify the tool's code base. In essence, we are merging the command line capabilities into the same software that will now be used by the TDS service, allowing easier updates when conventions such as ACDD are updated in the future. In this presentation, we will discuss the work the UAF project has done to support updated conventions within ncISO, as well as describe how the updated tool is helping to improve metadata throughout the earth and ocean sciences.

Explorations of the extended ncKP hierarchy

International Nuclear Information System (INIS)

Dimakis, Aristophanes; Mueller-Hoissen, Folkert

2004-01-01

A recently obtained extension (xncKP) of the Moyal-deformed KP hierarchy (ncKP hierarchy) by a set of evolution equations in the Moyal-deformation parameters is further explored. Formulae are derived to compute these equations efficiently. Reductions of the xncKP hierarchy are treated, in particular to the extended ncKdV and ncBoussinesq hierarchies. Furthermore, a good part of the Sato formalism for the KP hierarchy is carried over to the generalized framework. In particular, the well-known bilinear identity theorem for the KP hierarchy, expressed in terms of the (formal) Baker-Akhiezer function, extends to the xncKP hierarchy. Moreover, it is demonstrated that N-soliton solutions of the ncKP equation are also solutions of the first few deformation equations. This is shown to be related to the existence of certain families of algebraic identities

Spectra and relaxation dynamics of the pseudohalide (PS) vibrational bands for Ru(bpy)2(PS)2 complexes, PS = CN, NCS and N3

International Nuclear Information System (INIS)

Compton, Ryan; Gerardi, Helen K.; Weidinger, Daniel; Brown, Douglas J.; Dressick, Walter J.; Heilweil, Edwin J.; Owrutsky, Jeffrey C.

2013-01-01

Highlights: ► Static and transient infrared spectroscopy of pseudohalide bipyridine ruthenium complexes. ► Vibrational energy relaxes faster for the azide than the thiocyanate and cyanide analogs. ► Intramolecular vibrational relaxation is prevalent in cis-Ru(bpy) 2 (N 3 ) 2 . - Abstract: Static and transient infrared spectroscopy were used to investigate cis-Ru(bpy) 2 (N 3 ) 2 (bpy = 2,2′-bipyridine), cis-Ru(bpy) 2 (NCS) 2 , and cis-Ru(bpy) 2 (CN) 2 in solution. The NC stretching IR band for cis-Ru(bpy) 2 (NCS) 2 appears at higher frequency (∼2106 cm −1 in DMSO) than for the free NCS − anion while the IR bands for the azide and cyanide complexes are closer to those of the respective free anions. The vibrational energy relaxation (VER) lifetime for the azide complex is found to be much shorter (∼5 ps) than for either the NCS or CN species (both ∼70 ps in DMSO) and the lifetimes resemble those for each corresponding free anion in solution. However, for cis-Ru(bpy) 2 (N 3 ) 2 , it is determined that the transition frequency depends more on the solvent than the VER lifetime implying that intramolecular vibrational relaxation is predominant over solvent energy-extracting interactions. These results are compared to the behavior of other related metal complexes in solution

First detection of cyanamide (NH2CN) towards solar-type protostars

Science.gov (United States)

Coutens, A.; Willis, E. R.; Garrod, R. T.; Müller, H. S. P.; Bourke, T. L.; Calcutt, H.; Drozdovskaya, M. N.; Jørgensen, J. K.; Ligterink, N. F. W.; Persson, M. V.; Stéphan, G.; van der Wiel, M. H. D.; van Dishoeck, E. F.; Wampfler, S. F.

2018-05-01

Searches for the prebiotically relevant cyanamide (NH2CN) towards solar-type protostars have not been reported in the literature. We present here the first detection of this species in the warm gas surrounding two solar-type protostars, using data from the Atacama Large Millimeter/Submillimeter Array Protostellar Interferometric Line Survey (PILS) of IRAS 16293-2422 B and observations from the IRAM Plateau de Bure Interferometer of NGC 1333 IRAS2A. We also detected the deuterated and 13C isotopologs of NH2CN towards IRAS 16293-2422 B. This is the first detection of NHDCN in the interstellar medium. Based on a local thermodynamic equilibrium analysis, we find that the deuteration of cyanamide ( 1.7%) is similar to that of formamide (NH2CHO), which may suggest that these two molecules share NH2 as a common precursor. The NH2CN/NH2CHO abundance ratio is about 0.2 for IRAS 16293-2422 B and 0.02 for IRAS2A, which is comparable to the range of values found for Sgr B2. We explored the possible formation of NH2CN on grains through the NH2 + CN reaction using the chemical model MAGICKAL. Grain-surface chemistry appears capable of reproducing the gas-phase abundance of NH2CN with the correct choice of physical parameters.

Study on re-sputtering during CN{sub x} film deposition through spectroscopic diagnostics of plasma

Energy Technology Data Exchange (ETDEWEB)

Liang, Peipei; Yang, Xu; Li, Hui; Cai, Hua [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Sun, Jian; Xu, Ning [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shanghai Engineering Research Center of Ultra-Precision Optical Manufacturing, Fudan University, Shanghai 200433 (China); Wu, Jiada, E-mail: jdwu@fudan.edu.cn [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shanghai Engineering Research Center of Ultra-Precision Optical Manufacturing, Fudan University, Shanghai 200433 (China); Engineering Research Center of Advanced Lighting Technology, Ministry of Education, Fudan University, Shanghai 200433 (China)

2015-10-15

A nitrogen-carbon plasma was generated during the deposition of carbon nitride (CN{sub x}) thin films by pulsed laser ablation of a graphite target in a discharge nitrogen plasma, and the optical emission of the generated nitrogen-carbon plasma was measured for the diagnostics of the plasma and the characterization of the process of CN{sub x} film deposition. The nitrogen-carbon plasma was recognized to contain various species including nitrogen molecules and molecular ions excited in the ambient N{sub 2} gas, carbon atoms and atomic ions ablated from the graphite target and CN radicals. The temporal evolution and spatial distribution of the CN emission and their dependence on the substrate bias voltage show two groups of CN radicals flying in opposite directions. One represents the CN radicals formed as the products of the reactions occurring in the nitrogen-carbon plasma, revealing the reactive deposition of CN{sub x} film due to the reactive expansion of the ablation carbon plasma in the discharge nitrogen plasma and the effective formation of gaseous CN radicals as precursors for CN{sub x} film growth. The other one represents the CN radicals re-sputtered from the growing CN{sub x} film by energetic plasma species, evidencing the re-sputtering of the growing film accompanying film growth. And, the re-sputtering presents ion-induced sputtering features.

SCS-CN based time-distributed sediment yield model

Science.gov (United States)

Tyagi, J. V.; Mishra, S. K.; Singh, Ranvir; Singh, V. P.

2008-05-01

SummaryA sediment yield model is developed to estimate the temporal rates of sediment yield from rainfall events on natural watersheds. The model utilizes the SCS-CN based infiltration model for computation of rainfall-excess rate, and the SCS-CN-inspired proportionality concept for computation of sediment-excess. For computation of sedimentographs, the sediment-excess is routed to the watershed outlet using a single linear reservoir technique. Analytical development of the model shows the ratio of the potential maximum erosion (A) to the potential maximum retention (S) of the SCS-CN method is constant for a watershed. The model is calibrated and validated on a number of events using the data of seven watersheds from India and the USA. Representative values of the A/S ratio computed for the watersheds from calibration are used for the validation of the model. The encouraging results of the proposed simple four parameter model exhibit its potential in field application.

Pressure-induced polymerization of P(CN){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gou, Huiyang, E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu; Kim, Duck Young; Strobel, Timothy A., E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu [Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, NW, Washington, DC 20015 (United States); Yonke, Brendan L. [NRC Postdoctoral Associate, Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Epshteyn, Albert [Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Smith, Jesse S. [High Pressure Collaborative Access Team, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439 (United States)

2015-05-21

Motivated to explore the formation of novel extended carbon-nitrogen solids via well-defined molecular precursor pathways, we studied the chemical reactivity of highly pure phosphorous tricyanide, P(CN){sub 3}, under conditions of high pressure at room temperature. Raman and infrared (IR) spectroscopic measurements reveal a series of phase transformations below 10 GPa, and several low-frequency vibrational modes are reported for the first time. Synchrotron powder X-ray diffraction measurements taken during compression show that molecular P(CN){sub 3} is highly compressible, with a bulk modulus of 10.0 ± 0.3 GPa, and polymerizes into an amorphous solid above ∼10.0 GPa. Raman and IR spectra, together with first-principles molecular-dynamics simulations, show that the amorphization transition is associated with polymerization of the cyanide groups into CN bonds with predominantly sp{sup 2} character, similar to known carbon nitrides, resulting in a novel phosphorous carbon nitride (PCN) polymeric phase, which is recoverable to ambient pressure.

THE SPATIAL DISTRIBUTION OF OH AND CN RADICALS IN THE COMA OF COMET ENCKE

International Nuclear Information System (INIS)

Ihalawela, Chandrasiri A.; Pierce, Donna M.; Dorman, Garrett R.; Cochran, Anita L.

2011-01-01

Multiple potential parent species have been proposed to explain CN abundances in comet comae, but the parent has not been definitively identified for all comets. This study examines the spatial distribution of CN radicals in the coma of comet Encke and determines the likelihood that CN is a photodissociative daughter of HCN in the coma. Comet Encke is the shortest orbital period (3.3 years) comet known and also has a low dust-to-gas ratio based on optical observations. Observations of CN were obtained from 2003 October 22 to 24, using the 2.7 m telescope at McDonald Observatory. To determine the parent of CN, the classical vectorial model was modified by using a cone shape in order to reproduce Encke's highly aspherical and asymmetric coma. To test the robustness of the modified model, the spatial distribution of OH was also modeled. This also allowed us to obtain CN/OH ratios in the coma. Overall, we find the CN/OH ratio to be 0.009 ± 0.004. The results are consistent with HCN being the photodissociative parent of CN, but we cannot completely rule out other possible parents such as CH 3 CN and HC 3 N. We also found that the fan-like feature spans ∼90°, consistent with the results of Woodney et al..

CN rings in full protoplanetary disks around young stars as probes of disk structure

Science.gov (United States)

Cazzoletti, P.; van Dishoeck, E. F.; Visser, R.; Facchini, S.; Bruderer, S.

2018-01-01

Aims: Bright ring-like structure emission of the CN molecule has been observed in protoplanetary disks. We investigate whether such structures are due to the morphology of the disk itself or if they are instead an intrinsic feature of CN emission. With the intention of using CN as a diagnostic, we also address to which physical and chemical parameters CN is most sensitive. Methods: A set of disk models were run for different stellar spectra, masses, and physical structures via the 2D thermochemical code DALI. An updated chemical network that accounts for the most relevant CN reactions was adopted. Results: Ring-shaped emission is found to be a common feature of all adopted models; the highest abundance is found in the upper outer regions of the disk, and the column density peaks at 30-100 AU for T Tauri stars with standard accretion rates. Higher mass disks generally show brighter CN. Higher UV fields, such as those appropriate for T Tauri stars with high accretion rates or for Herbig Ae stars or for higher disk flaring, generally result in brighter and larger rings. These trends are due to the main formation paths of CN, which all start with vibrationally excited H_2^* molecules, that are produced through far ultraviolet (FUV) pumping of H2. The model results compare well with observed disk-integrated CN fluxes and the observed location of the CN ring for the TW Hya disk. Conclusions: CN rings are produced naturally in protoplanetary disks and do not require a specific underlying disk structure such as a dust cavity or gap. The strong link between FUV flux and CN emission can provide critical information regarding the vertical structure of the disk and the distribution of dust grains which affects the UV penetration, and could help to break some degeneracies in the SED fitting. In contrast with C2H or c-C3H2, the CN flux is not very sensitive to carbon and oxygen depletion.

Regional Calibration of SCS-CN L-THIA Model: Application for Ungauged Basins

OpenAIRE

Jeon, Ji-Hong; Lim, Kyoung; Engel, Bernard

2014-01-01

Estimating surface runoff for ungauged watershed is an important issue. The Soil Conservation Service Curve Number (SCS-CN) method developed from long-term experimental data is widely used to estimate surface runoff from gaged or ungauged watersheds. Many modelers have used the documented SCS-CN parameters without calibration, sometimes resulting in significant errors in estimating surface runoff. Several methods for regionalization of SCS-CN parameters were evaluated. The regionalization met...

H-D exchange in metal carbene complexes: Structure of cluster (μ-H)(μ-OCD3)Os3(CO)9{:C(CD3)NC2H8O}

Science.gov (United States)

Savkov, Boris; Maksakov, Vladimir; Kuratieva, Natalia

2015-10-01

X-ray and spectroscopic data for the new complex (μ-H)(μ-OCH3)Os3(CO)9{:C(CD3)NC2H8O} (2) obtained in the reaction of the (μ-H)(μ-Cl)Os3(CO)9{:C(CH3)NC2H8O} (1) with NaOCD3 in CD3OD solution are reported. It is shown that cluster 1 has the property of CH-acidity inherent of Fisher type carbenes. This had demonstrated using hydrogen deuterium exchange reaction in the presence of a strong base. Bridging chlorine to metoxide ligand substitution takes place during the reaction. The molecular structure of 2 is compared with known analogues.

Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.

Science.gov (United States)

Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel

2015-08-03

The two MeCN ligands in [Ru(2-C6H4-2'-Py-κC,N)(Phen, trans-C)(MeCN)2]PF6 (1), both trans to a sp(2) hybridized N atom, cannot be substituted by any other ligand. In contrast, the isomerized derivative [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(MeCN)2]PF6 (2), in which one MeCN ligand is now trans to the C atom of the phenyl ring orthometalated to Ru, leads to fast and quantitative substitution reactions with several monodentate ligands. With PPh3, 2 affords [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(PPh3)(MeCN)]PF6 (3), in which PPh3 is trans to the C σ bound to Ru. Compound 3 is not kinetically stable, because, under thermodynamic control, it leads to 4, in which the PPh3 is trans to a N atom of the Phen ligand. Dimethylsulfoxide (DMSO) can also substitute a MeCN ligand in 2, leading to 5, in which DMSO is coordinated to Ru via its S atom trans to the N atom of the Phen ligand, the isomer under thermodynamic control being the only compound observed. We also found evidence for the fast to very fast substitution of MeCN in 2 by water or a chloride anion by studying the electronic spectra of 2 in the presence of water or NBu4Cl, respectively. An isomerization related to that observed between 3 and 4 is also found for the known monophosphine derivative [Ru(2-C6H4-2'-Py-κC,N)(PPh3, trans-C)(MeCN)3]PF6 (10), in which the PPh3 is located trans to the C of the cyclometalated 2-phenylpyridine, since, upon treatment by refluxing MeCN, it leads to its isomer 11, [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(MeCN)3]PF6. Further substitutions are also observed on 11, whereby N^N chelates (N^N = 2,2'-bipyridine and phenanthroline) substitute two MeCN ligands, affording [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(N^N)(MeCN)]PF6 (12a and 12b). Altogether, the behavior of the obtained complexes by ligand substitution reactions can be rationalized by an antisymbiotic effect on the Ru center, trans to the C atom of the cyclometalated unit, leading to compounds having the least nucleophilic ligand trans to C

CN and HCN in the infrared spectrum of IRC + 10216

Science.gov (United States)

Wiedemann, G. R.; Deming, D.; Jennings, D. E.; Hinkle, Kenneth H.; Keady, John J.

1991-01-01

The abundance of HCN in the inner circumstellar shell of IRC + 10216 has been remeasured using the 12-micron nu2 band. The 12-micron lines are less saturated than HCN 3-micron lines previously detected in the spectrum of IRC + 10216. The observed 12-micron HCN line is formed in the circumstellar shell from about 4 to 12 R sub * in accord with a photospheric origin for HCN. The derived HCN abundance in the 4 to 12 R sub* region is 4 x 10 exp-5 and the column density is 7 x 10 exp 18/sq cm. The 5-micron CN vibration-rotation fundamental band was detected for the first time in an astronomical source. Using four CN lines, the CN column density was determined to be 2.6 x 10 exp 15/sq cm and the rotational temperature to be 8 +/-2 K. The peal radial abundance is 1 x 10 exp -5. The values for the temperature and abundance are in good agreement with microwave results and with the formation of CN from the photolysis of HCN.

Structure of MoCN films deposited by cathodic arc evaporation

Energy Technology Data Exchange (ETDEWEB)

Gilewicz, A., E-mail: adam.gilewicz@tu.koszalin.pl [Koszalin University of Technology, Faculty of Technology and Education, Sniadeckich 2, 75-453 Koszalin (Poland); Jedrzejewski, R.; Kochmanska, A.E. [West Pomeranian University of Technology Szczecin, Faculty of Mechanical Engineering and Mechatronics, 19 Piastów Ave., 70-313 Szczecin (Poland); Warcholinski, B. [Koszalin University of Technology, Faculty of Technology and Education, Sniadeckich 2, 75-453 Koszalin (Poland)

2015-02-27

Molybdenum carbonitride (MoCN) coatings were deposited onto HS6-5-2 steel substrate using pure Mo targets in mixed acetylene and nitrogen atmosphere by cathodic arc evaporation. The structural properties of MoCN coatings with different carbon contents (as an effect of the C{sub 2}H{sub 2} flow rate) were investigated systematically. Phase and chemical composition evolution of the coatings were characterized both by the glancing angle of X-ray diffraction (XRD) and wavelength dispersive spectrometry, respectively. These analyses have been supplemented by estimates of grain sizes and stress in the coatings. The XRD results show that the increase in acetylene flow rate causes the formation of molybdenum carbide (MoC) hexagonal phase in the coatings, a reduction of grain size and an increase in internal stress. - Highlights: • MoN and MoCN coatings were deposited by cathodic arc evaporation in nitrogen atmosphere. • MoCN coatings were formed using different acetylene flow rates. • Phase composition evolution was observed. • Crystallite size and stress were calculated.

Dissociation mechanisms and dynamics of doubly charged CD3CN observed by PEPIPICO spectroscopy

International Nuclear Information System (INIS)

Harada, C.; Tada, S.; Yamamoto, K.; Senba, Y.; Yoshida, H.; Hiraya, A.; Wada, S.; Tanaka, K.; Tabayashi, K.

2006-01-01

Dissociation of free acetonitrile-d 3 molecule, CD 3 CN induced by core level excitation was studied near the nitrogen K-edge by time-of-flight fragment mass spectroscopy. A variety of atomic and molecular fragment cations such as D + , CD n + , C 2 D n + , and CD n CN + were detected using the effusive CD 3 CN beam. Photoelectron-photoion-photoion coincidence technique was applied to analyse the dissociation mechanisms and dynamics of doubly charged CD 3 CN 2+ following the N(1s-π * ) excitation. The charge separation mechanisms of core-excited CD 3 CN were discussed in connection with Auger final state distributions

Fascinating transformations of donor-acceptor complexes of group 13 metal (Al, Ga, In) derivatives with nitriles and isonitriles: from monomeric cyanides to rings and cages.

Science.gov (United States)

Timoshkin, Alexey Y; Schaefer, Henry F

2003-08-20

Formation of the donor-acceptor complexes of group 13 metal derivatives with nitriles and isonitriles X(3)M-D (M = Al,Ga,In; X = H,Cl,CH(3); D = RCN, RNC; R = H,CH(3)) and their subsequent reactions have been theoretically studied at the B3LYP/pVDZ level of theory. Although complexation with MX(3) stabilizes the isocyanide due to the stronger M-C donor-acceptor bond, this stabilization (20 kJ mol(-1) at most) is not sufficient to make the isocyanide form more favorable. Relationships between the dissociation enthalpy DeltaH degrees (298)(diss), charge-transfer q(CT), donor-acceptor bond energy E(DA), and the shift of the vibrational stretching mode of the CN group upon coordination Deltaomega(CN) have been examined. For a given metal center, there is a good correlation between the energy of the donor-acceptor bond and the degree of a charge transfer. Prediction of the DeltaH degrees (298)(diss) on the basis of the shift of CN stretching mode is possible within limited series of cyanide complexes (for the fixed M,R); in contrast, complexes of the isocyanides exhibit very poor Deltaomega(CN) - DeltaH degrees (298)(diss) correlation. Subsequent X ligand transfer and RX elimination reactions yielding monomeric (including donor-acceptor stabilized) and variety of oligomeric cage and ring compounds with [MN]n, [MC]n, [MNC]n cores have been considered and corresponding to thermodynamic characteristics have been obtained for the first time. Monomeric aluminum isocyanides X(2)AlNC are more stable compared to Al-C bonded isomers; for gallium and indium situation is reversed, in qualitative agreement with Pearson's HSAB concept. Substitution of X by CN in MX(3) increases the dissociation enthalpy of the MX(2)CN-NH(3) complex compared to that for MX(3)-NH(3), irrespective of the substituent X. Mechanisms of the initial reaction of the X transfer have been studied for the case X = R = H. The process of hydrogen transfer from the metal to the carbon atom in H(3)M-CNH is

Tree species is the major factor explaining C:N ratios in European forest soils

DEFF Research Database (Denmark)

Cools, Nathalie; Vesterdal, Lars; De Vos, Bruno

2014-01-01

The C:N ratio is considered as an indicator of nitrate leaching in response to high atmospheric nitrogen (N) deposition. However, the C:N ratio is influenced by a multitude of other site-related factors. This study aimed to unravel the factors determining C:N ratios of forest floor, mineral soil...... mineral soil layers it was the humus type. Deposition and climatic variables were of minor importance at the European scale. Further analysis for eight main forest tree species individually, showed that the influence of environmental variables on C:N ratios was tree species dependent. For Aleppo pine...... and peat top soils in more than 4000 plots of the ICP Forests large-scale monitoring network. The first objective was to quantify forest floor, mineral and peat soil C:N ratios across European forests. Secondly we determined the main factors explaining this C:N ratio using a boosted regression tree...

CN molecule vibrational spectra excitation in several LTE plasma sources conditions

International Nuclear Information System (INIS)

Iova, I.; Iova, Floriana; Ionita, I.; Bazavan, M.; Ilie, Gh.; Stanescu, G.

2001-01-01

Our interest in CN plasma study steams of the facilities to obtain the CN radicals in a free atmosphere electric discharge where the C of the coal electrodes can to combine in the enough high temperature plasma with the atmospheric nitrogen. Also of much interest is the very important phenomena in which the CN vibrational spectra can be implied and used as a diagnostic tool (plasma chemistry, astrophysics and so on). A peculiar importance presents the CN vibrational spectra in the transient plasmas. It is the reason why we have investigated here some internal processes of a continued and interrupted arc of various pulse lengths. To these purposes we present with enough accuracy the behaviour of the relative band head intensities of the sequences Δ v = +1 and Δ v = 0 belonging to the CN electronic transition (B 2 Σ - X 2 Σ), as a function of the pulse length (50 - 200 ms) as well as a function of the cathode to anode separation. These behaviours give us indications on the vibrational levels of the electronic state populations in several regions of the arc plasma as well on the efficiency of these levels excitation for several plasma pulse lengths. (authors)

Automatic NC-Data generation method for 5-axis cutting of turbine-blades by finding Safe heel-angles and adaptive path-intervals

International Nuclear Information System (INIS)

Piao, Cheng Dao; Lee, Cheol Soo; Cho, Kyu Zong; Park, Gwang Ryeol

2004-01-01

In this paper, an efficient method for generating 5-axis cutting data for a turbine blade is presented. The interference elimination of 5-axis cutting currently is very complicated, and it takes up a lot of time. The proposed method can generate an interference-free tool path, within an allowance range. Generating the cutting data just point to the cutting process and using it to obtain NC data by calculating the feed rate, allows us to maintain the proper feed rate of the 5-axis machine. This paper includes the algorithms for: (1) CL data generation by detecting an interference-free heel angle, (2) finding the optimal tool path interval considering the cusp-height, (3) finding the adaptive feed rate values for each cutter path, and (4) the inverse kinematics depending on the structure of the 5-axis machine, for generating the NC data

Study of the effect of the silver content on the structural and mechanical behavior of Ag–ZrCN coatings for orthopedic prostheses

Energy Technology Data Exchange (ETDEWEB)

Ferreri, I., E-mail: isabelferreri@gmail.com [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); CEB, Centre for Biological Engineering, University of Minho, Campus of Gualtar, 4700-057 (Portugal); Lopes, V. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); Calderon V, S. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Tavares, C.J. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); Cavaleiro, A. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Carvalho, S. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal)

2014-09-01

With the increase of elderly population and health problems that are arising nowadays, hip joint prostheses are being widely used. However, it is estimated that 20% of hip replacement surgeries simply fails after few years, mainly due to wear fatigue. Bearing this in mind, this work reports on the development of new coatings that are able to sustain long and innocuous life inside the patient, which will confer to the usual biomaterials improved physical, mechanical and tribological properties. In particular, the development of multifunctional coatings based on Ag-ZrCN, prepared by DC reactive magnetron sputtering using two targets, Zr and a modified Zr target, in an Ar + C{sub 2}H{sub 2} + N{sub 2} atmosphere. Silver pellets were placed in the erosion area of the alloyed Zr target in order to obtain a silver content up to 8 at.%. The structural results obtained by x-ray diffraction show that the coatings crystallize in a NaCl crystal structure typical of ZrC{sub 1-x}N{sub x}. The increase of Ag content promoted the formation of an additional a-CN{sub x} amorphous phase, besides a silver crystalline phase. Hardness is decreasing, as increasing silver content. Despite the low thicknesses, adhesion values (L{sub C3}) can be considered as good. Dynamic fatigue results suggest that these coatings system can be a real asset in terms of mechanical properties, by improving the performance of usual Stainless Steel 316 L biomaterials. - Highlights: • ZrCN, silver and carbon based amorphous phases, form the structure of the coatings. • Ag–ZrCN coatings have a high capacity to withstand an impact load without fracturing. • Silver incorporation reduces the fatigue failures of the coatings. • The films possess mechanical resistance and biocompatibility, required in prostheses.

An overview on STEP-NC compliant controller development

Science.gov (United States)

Othman, M. A.; Minhat, M.; Jamaludin, Z.

2017-10-01

The capabilities of conventional Computer Numerical Control (CNC) machine tools as termination organiser to fabricate high-quality parts promptly, economically and precisely are undeniable. To date, most CNCs follow the programming standard of ISO 6983, also called G & M code. However, in fluctuating shop floor environment, flexibility and interoperability of current CNC system to react dynamically and adaptively are believed still limited. This outdated programming language does not explicitly relate to each other to have control of arbitrary locations other than the motion of the block-by-block. To address this limitation, new standard known as STEP-NC was developed in late 1990s and is formalized as an ISO 14649. It adds intelligence to the CNC in term of interoperability, flexibility, adaptability and openness. This paper presents an overview of the research work that have been done in developing a STEP-NC controller standard and the capabilities of STEP-NC to overcome modern manufacturing demands. Reviews stated that most existing STEP-NC controller prototypes are based on type 1 and type 2 implementation levels. There are still lack of effort being done to develop type 3 and type 4 STEP-NC compliant controller.

78 FR 72009 - Establishment of Class E Airspace; Star, NC

Science.gov (United States)

2013-12-02

...-0440; Airspace Docket No. 13-ASO-10] Establishment of Class E Airspace; Star, NC AGENCY: Federal... at Star, NC, to accommodate a new Area Navigation (RNAV) Global Positioning System (GPS) Standard... Federal Register a notice of proposed rulemaking to establish Class E airspace at Star, NC (78 FR 54413...

78 FR 24071 - Safety Zone; Pasquotank River; Elizabeth City, NC

Science.gov (United States)

2013-04-24

... 1625-AA00 Safety Zone; Pasquotank River; Elizabeth City, NC AGENCY: Coast Guard, DHS. ACTION: Temporary... Pasquotank River in Elizabeth City, NC in support of the Fireworks display for the Potato Festival. This... Guard is establishing a safety zone on the navigable waters of Pasquotank River in Elizabeth City, NC...

Reactivity of the cyanometalate Na[Cp[prime]Mn(CO)[sub 2]CN] with titanium, zirconium, and hafnium halides. Crystal and molecular structure of the [mu]-cyano [mu]-oxo tetranuclear complex [Cp[sub 2]Zr([mu]-NC)MnCp[prime]-(CO)[sub 2

Energy Technology Data Exchange (ETDEWEB)

Braunstein, P. (Universite Louis Pasteur, Cedex (France)); Cauzzi, D. (Universite Louis Pasteur, Cedex (France) Universita di Parma (Italy)); Kelly, D. (Universite Louis Pasteur, Cedex (France)); Lanfranchi, M.; Tiripicchio, A. (Universita di Parma (Italy))

1993-07-21

In contrast to most carbonylmetalates of the transition metals, cyanide-substituted anionic complexes such as Na[Cp[prime]Mn-(CO)[sub 2]CN] (Cp[prime] = [eta]-MeC[sub 5]H[sub 4]) do not exhibit a metal-centered HOMO. Instead, this orbitals is essentially nitrogen-based, which favors coordination to metal centers through the cyanide moiety, thus generating Mn-CN-M[prime] chain systems. The cyanometalate ligand [Cp[prime]Mn(CO)[sub 2]CN][sup [minus

Software module for geometric product modeling and NC tool path generation

International Nuclear Information System (INIS)

Sidorenko, Sofija; Dukovski, Vladimir

2003-01-01

The intelligent CAD/CAM system named VIRTUAL MANUFACTURE is created. It is consisted of four intelligent software modules: the module for virtual NC machine creation, the module for geometric product modeling and automatic NC path generation, the module for virtual NC machining and the module for virtual product evaluation. In this paper the second intelligent software module is presented. This module enables feature-based product modeling carried out via automatic saving of the designed product geometric features as knowledge data. The knowledge data are afterwards applied for automatic NC program generation for the designed product NC machining. (Author)

Preparation of mesoporous carbon nitride structure by the dealloying of Ni/a-CN nanocomposite films

Science.gov (United States)

Zhou, Han; Shen, Yongqing; Huang, Jie; Liao, Bin; Wu, Xianying; Zhang, Xu

2018-05-01

The preparation of mesoporous carbon nitride (p-CN) structure by the selective dealloying process of Ni/a-CN nanocomposite films is investigated. The composition and structure of the Ni/a-CN nanocomposite films and porous carbon nitride (p-CN) films are determined by scan electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Phase separated structure including nickel carbide phase and the surrounding amorphous carbon nitride (a-CN) matrix are detected for the as-deposited films. Though the bulk diffusion is introduced in the film during the annealing process, the grain sizes for the post-annealed films are around 10 nm and change little comparing with the ones of the as-deposited films, which is associated with the thermostability of the CN surrounding in the film. The p-CN skeleton with its pore size around 12.5 nm is formed by etching the post-annealed films, indicative of the stability of the phase separated structure during the annealing process.

Application of GIS-based SCS-CN method in West Bank catchments, Palestine

Directory of Open Access Journals (Sweden)

Sameer Shadeed

2010-03-01

Full Text Available Among the most basic challenges of hydrology are the prediction and quantification of catchment surface runoff. The runoff curve number (CN is a key factor in determining runoff in the SCS (Soil Conservation Service based hydrologic modeling method. The traditional SCS-CN method for calculating the composite curve number is very tedious and consumes a major portion of the hydrologic modeling time. Therefore, geographic information systems (GIS are now being used in combination with the SCS-CN method. This paper assesses the modeling of flow in West Bank catchments using the GIS-based SCS-CN method. The West Bank, Palestine, is characterized as an arid to semi-arid region with annual rainfall depths ranging between 100 mm in the vicinity of the Jordan River to 700 mm in the mountains extending across the central parts of the region. The estimated composite curve number for the entire West Bank is about 50 assuming dry conditions. This paper clearly demonstrates that the integration of GIS with the SCS-CN method provides a powerful tool for estimating runoff volumes in West Bank catchments, representing arid to semi-arid catchments of Palestine.

Highly efficient alkane oxidation catalyzed by [Mn(V)(N)(CN)4](2-). Evidence for [Mn(VII)(N)(O)(CN)4](2-) as an active intermediate.

Science.gov (United States)

Ma, Li; Pan, Yi; Man, Wai-Lun; Kwong, Hoi-Ki; Lam, William W Y; Chen, Gui; Lau, Kai-Chung; Lau, Tai-Chu

2014-05-28

The oxidation of various alkanes catalyzed by [Mn(V)(N)(CN)4](2-) using various terminal oxidants at room temperature has been investigated. Excellent yields of alcohols and ketones (>95%) are obtained using H2O2 as oxidant and CF3CH2OH as solvent. Good yields (>80%) are also obtained using (NH4)2[Ce(NO3)6] in CF3CH2OH/H2O. Kinetic isotope effects (KIEs) are determined by using an equimolar mixture of cyclohexane (c-C6H12) and cyclohexane-d12 (c-C6D12) as substrate. The KIEs are 3.1 ± 0.3 and 3.6 ± 0.2 for oxidation by H2O2 and Ce(IV), respectively. On the other hand, the rate constants for the formation of products using c-C6H12 or c-C6D12 as single substrate are the same. These results are consistent with initial rate-limiting formation of an active intermediate between [Mn(N)(CN)4](2-) and H2O2 or Ce(IV), followed by H-atom abstraction from cyclohexane by the active intermediate. When PhCH2C(CH3)2OOH (MPPH) is used as oxidant for the oxidation of c-C6H12, the major products are c-C6H11OH, c-C6H10O, and PhCH2C(CH3)2OH (MPPOH), suggesting heterolytic cleavage of MPPH to generate a Mn═O intermediate. In the reaction of H2O2 with [Mn(N)(CN)4](2-) in CF3CH2OH, a peak at m/z 628.1 was observed in the electrospray ionization mass spectrometry, which is assigned to the solvated manganese nitrido oxo species, (PPh4)[Mn(N)(O)(CN)4](-)·CF3CH2OH. On the basis of the experimental results the proposed mechanism for catalytic alkane oxidation by [Mn(V)(N)(CN)4](2-)/ROOH involves initial rate-limiting O-atom transfer from ROOH to [Mn(N)(CN)4](2-) to generate a manganese(VII) nitrido oxo active species, [Mn(VII)(N)(O)(CN)4](2-), which then oxidizes alkanes (R'H) via a H-atom abstraction/O-rebound mechanism. The proposed mechanism is also supported by density functional theory calculations.

MOF derived Ni/Co/NC catalysts with enhanced properties for oxygen evolution reaction

Science.gov (United States)

Hu, Jiapeng; Chen, Juan; Lin, Hao; Liu, Ruilai; Yang, Xiaobing

2018-03-01

Designing efficient electrocatalysts for oxygen evolution reaction (OER) is very important for renewable energy storage and conversion devices. In this paper, we introduced a new strategy to synthesize Ni doped Co/NC catalysts (NC is the abbreviation of nitrogen-doped graphitic carbon), which were derived from ZIF-67. All catalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM) and oxygen evolution reaction (OER). The results show that Ni was well doped in the Ni/Co/NC catalysts and the doping of Ni has great influence on the OER activity of Ni/Co/NC catalysts. Among these catalysts, 0.50Ni/Co/NC exhibits the highest OER activity. The onset potential of 0.50Ni/Co/NC is 1.47 V, which is superior than the onset potential of Co/NC (1.54 V), 0.25Ni/Co/NC (1.48 V), 1.00Ni/Co/NC (1.53 V). The excellent OER activity of 0.50Ni/Co/NC catalyst makes its potential to be used on renewable energy storage.

Zero-Field Spin Structure and Spin Reorientations in Layered Organic Antiferromagnet, κ-(BEDT-TTF)2Cu[N(CN)2]Cl, with Dzyaloshinskii-Moriya Interaction

Science.gov (United States)

Ishikawa, Rui; Tsunakawa, Hitoshi; Oinuma, Kohsuke; Michimura, Shinji; Taniguchi, Hiromi; Satoh, Kazuhiko; Ishii, Yasuyuki; Okamoto, Hiroyuki

2018-06-01

Detailed magnetization measurements enabled us to claim that the layered organic insulator κ-(BEDT-TTF)2Cu[N(CN)2]Cl [BEDT-TTF: bis(ethylenedithio)tetrathiafulvalene] with the Dzyaloshinskii-Moriya interaction has an antiferromagnetic spin structure with the easy axis being the crystallographic c-axis and the net canting moment parallel to the a-axis at zero magnetic field. This zero-field spin structure is significantly different from that proposed in the past studies. The assignment was achieved by arguments including a correction of the direction of the weak ferromagnetism, reinterpretations of magnetization behaviors, and reasoning based on known high-field spin structures. We suggest that only the contributions of the strong intralayer antiferromagnetic interaction, the moderately weak Dzyaloshinskii-Moriya interaction, and the very weak interlayer ferromagnetic interaction can realize this spin structure. On the basis of this model, characteristic magnetic-field dependences of the magnetization can be interpreted as consequences of intriguing spin reorientations. The first reorientation is an unusual spin-flop transition under a magnetic field parallel to the b-axis. Although the existence of this transition is already known, the interpretation of what happens at this transition has been significantly revised. We suggest that this transition can be regarded as a spin-flop phenomenon of the local canting moment. We also claim that half of the spins rotate by 180° at this transition, in contrast to the conventional spin flop transition. The second reorientation is the gradual rotation of the spins during the variation of the magnetic field parallel to the c-axis. In this process, all the spins rotate around the Dzyaloshinskii-Moriya vectors by 90°. The results of our simulation based on the classical spin model well reproduce these spin reorientation behaviors, which strongly support our claimed zero-field spin structure. The present study highlights the

Cubic mesoporous Ag@CN: a high performance humidity sensor.

Science.gov (United States)

Tomer, Vijay K; Thangaraj, Nishanthi; Gahlot, Sweta; Kailasam, Kamalakannan

2016-12-01

The fabrication of highly responsive, rapid response/recovery and durable relative humidity (%RH) sensors that can precisely monitor humidity levels still remains a considerable challenge for realizing the next generation humidity sensing applications. Herein, we report a remarkably sensitive and rapid %RH sensor having a reversible response using a nanocasting route for synthesizing mesoporous g-CN (commonly known as g-C 3 N 4 ). The 3D replicated cubic mesostructure provides a high surface area thereby increasing the adsorption, transmission of charge carriers and desorption of water molecules across the sensor surfaces. Owing to its unique structure, the mesoporous g-CN functionalized with well dispersed catalytic Ag nanoparticles exhibits excellent sensitivity in the 11-98% RH range while retaining high stability, negligible hysteresis and superior real time %RH detection performances. Compared to conventional resistive sensors based on metal oxides, a rapid response time (3 s) and recovery time (1.4 s) were observed in the 11-98% RH range. Such impressive features originate from the planar morphology of g-CN as well as unique physical affinity and favourable electronic band positions of this material that facilitate water adsorption and charge transportation. Mesoporous g-CN with Ag nanoparticles is demonstrated to provide an effective strategy in designing high performance %RH sensors and show great promise for utilization of mesoporous 2D layered materials in the Internet of Things and next generation humidity sensing applications.

Synthesis, spectroscopic, thermal and structural properties of [M(3-aminopyridine)2Ni(μ-CN)2(CN)2]n (M(II) = Co and Cu) heteropolynuclear cyano-bridged complexes

Science.gov (United States)

Kartal, Zeki

2016-01-01

Two novel cyano-bridged heteropolynuclear complexes, [Co(3-aminopyridine)2Ni(μ-CN)2(CN)2]n and [Cu(3-aminopyridine)2Ni(μ-CN)2(CN)2]n have been synthesized and characterized by elemental, thermal, FT-IR and FT-Raman spectroscopies. The structures of complexes have been determined by X-ray powder diffraction. The FT-IR and FT-Raman spectra of complexes have been recorded in the region of 3500-400 cm-1 and 3500-100 cm-1, respectively. General information was acquired about structural properties of these complexes from FT-IR and FT-Raman spectra by considering changes at characteristic peaks of the cyano group and 3AP. The splitting of the ν(Ctbnd N) stretching bands in the FT-IR spectra for complexes indicates the presence of terminal and bridging cyanides. The thermal behaviors of these complexes have been also investigated in the range of 25-950 °C using TG and DTG methods. Magnetic susceptibility measurements were made at room temperature using Gouy-balance.

Evaluation of SCS-CN method using a fully distributed physically based coupled surface-subsurface flow model

Science.gov (United States)

Shokri, Ali

2017-04-01

The hydrological cycle contains a wide range of linked surface and subsurface flow processes. In spite of natural connections between surface water and groundwater, historically, these processes have been studied separately. The current trend in hydrological distributed physically based model development is to combine distributed surface water models with distributed subsurface flow models. This combination results in a better estimation of the temporal and spatial variability of the interaction between surface and subsurface flow. On the other hand, simple lumped models such as the Soil Conservation Service Curve Number (SCS-CN) are still quite common because of their simplicity. In spite of the popularity of the SCS-CN method, there have always been concerns about the ambiguity of the SCS-CN method in explaining physical mechanism of rainfall-runoff processes. The aim of this study is to minimize these ambiguity by establishing a method to find an equivalence of the SCS-CN solution to the DrainFlow model, which is a fully distributed physically based coupled surface-subsurface flow model. In this paper, two hypothetical v-catchment tests are designed and the direct runoff from a storm event are calculated by both SCS-CN and DrainFlow models. To find a comparable solution to runoff prediction through the SCS-CN and DrainFlow, the variance between runoff predictions by the two models are minimized by changing Curve Number (CN) and initial abstraction (Ia) values. Results of this study have led to a set of lumped model parameters (CN and Ia) for each catchment that is comparable to a set of physically based parameters including hydraulic conductivity, Manning roughness coefficient, ground surface slope, and specific storage. Considering the lack of physical interpretation in CN and Ia is often argued as a weakness of SCS-CN method, the novel method in this paper gives a physical explanation to CN and Ia.

Development of STEP-NC Adaptor for Advanced Web Manufacturing System

Science.gov (United States)

Ajay Konapala, Mr.; Koona, Ramji, Dr.

2017-08-01

Information systems play a key role in the modern era of Information Technology. Rapid developments in IT & global competition calls for many changes in basic CAD/CAM/CAPP/CNC manufacturing chain of operations. ‘STEP-NC’ an enhancement to STEP for operating CNC machines, creating new opportunities for collaborative, concurrent, adaptive works across the manufacturing chain of operations. Schemas and data models defined by ISO14649 in liaison with ISO10303 standards made STEP-NC file rich with feature based, rather than mere point to point information of G/M Code format. But one needs to have a suitable information system to understand and modify these files. Various STEP-NC information systems are reviewed to understand the suitability of STEP-NC for web manufacturing. Present work also deals with the development of an adaptor which imports STEP-NC file, organizes its information, allowing modifications to entity values and finally generates a new STEP-NC file to export. The system is designed and developed to work on web to avail additional benefits through the web and also to be part of a proposed ‘Web based STEP-NC manufacturing platform’ which is under development and explained as future scope.

Inherent and antigen-induced airway hyperreactivity in NC mice

OpenAIRE

Tetsuto Kobayashi; Toru Miura; Tomoko Haba; Miyuki Sato; Masao Takei; Isao Serizawa

1999-01-01

In order to clarify the airway physiology of NC mice, the following experiments were carried out. To investigate inherent airway reactivity, we compared tracheal reactivity to various chemical mediators in NC, BALB/c, C57BL/6 and A/J mice in vitro. NC mice showed significantly greater reactivity to acetylcholine than BALB/c and C57BL/6 mice and a reactivity comparable to that of A/J mice, which are known as high responders. Then, airway reactivity to acetylcholine was investigated in those st...

Assembly of bicyclic or monocyclic clusters from [(η5-C5Me5)2Mo2(μ3-S)4(CuMeCN)2]2+ with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.

Science.gov (United States)

Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong

2011-09-07

Reactions of the preformed cluster [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)(MeCN)(2)](ClO(4))(2) (1) with two tetraphosphine ligands, 1,4-N,N,N',N'-tetra(diphenylphosphanylmethyl)benzene diamine (dpppda) and N,N,N',N'-tetra(diphenylphosphanylmethyl)ethylene diamine (dppeda), produced two bicyclic clusters {[(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)](2)(L)}(ClO(4))(4) (3: L = dpppda; 4: L = dppeda). Analogous reactions of 1 or [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)(MeCN)(2)](PF(6))(2) (2) with two N,P mixed ligands, N,N-bi(diphenylphosphanylmethyl)-2-aminopyridine (bdppmapy) and N-diphenylphosphanylmethyl-4-aminopyridine (dppmapy), afforded two monocyclic clusters {[(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)](2)(L)(2)}X(4) (5: L = bdppmapy, X = ClO(4); 6: L = dppmapy, X = PF(6)). Compounds 3-6 were fully characterized by elemental analysis, IR spectra, UV-vis spectra, (1)H and (31)P{(1)H} NMR spectra, ESI-MS and single-crystal X-ray crystallography. In the tetracations of 3-6, two cubane-like [Mo(2)(μ(3)-S)(4)Cu(2)] cores are linked either by one dpppda or dppeda bridge to form a bicyclic structure or by a pair of bdppmapy or dppmapy bridges to afford a monocyclic structure. The third-order nonlinear optical (NLO) properties of 1 and 3-6 in MeCN were also investigated by femtosecond degenerate four-wave mixing (DFWM) technique with a 50 fs pulse width at 800 nm. Compounds 3-6 exhibited enhanced third-order NLO performances relative to that of 1. This journal is © The Royal Society of Chemistry 2011

Structural phase transitions in Zn(CN)2 under high pressures

International Nuclear Information System (INIS)

Poswal, H.K.; Tyagi, A.K.; Lausi, Andrea; Deb, S.K.; Sharma, Surinder M.

2009-01-01

High pressure behavior of zinc cyanide (Zn(CN) 2 ) has been investigated with the help of synchrotron-based X-ray diffraction measurements. Our studies reveal that under pressure this compound undergoes phase transformations and the structures of the new phases depend on whether the pressure is hydrostatic or not. Under hydrostatic conditions, Zn(CN) 2 transforms from cubic to orthorhombic to cubic-II to amorphous phases. In contrast, the non-hydrostatic pressure conditions drive the ambient cubic phase to a partially disordered crystalline phase, which eventually evolves to a substantially disordered phase. The final disordered phase in the latter case is distinct from the amorphous phase observed under the hydrostatic pressures. - Graphical abstract: High pressure X-ray diffraction investigations on Zn(CN) 2 show three phase transformations i.e., cubic→orthorhombic→cubic-II→amorphous. However, the results strongly depend upon the nature of stress

On pseudorandom generators in NC⁰

DEFF Research Database (Denmark)

Cryan, Mary; Miltersen, Peter Bro

2001-01-01

In this paper we consider the question of whether NC 0 circuits can generate pseudorandom distributions. While we leave the general question unanswered, we show – • Generators computed by NC 0 circuits where each output bit depends on at most 3 input bits (i.e, DNC 3 0 circuits) and with stretch ...

78 FR 54413 - Proposed Establishment of Class E Airspace; Star, NC

Science.gov (United States)

2013-09-04

...-0440; Airspace Docket No. 13-ASO-10] Proposed Establishment of Class E Airspace; Star, NC AGENCY... action proposes to establish Class E Airspace at Star, NC, to accommodate a new Area Navigation (RNAV... establish Class E airspace at Star, NC, providing the controlled airspace required to support the new RNAV...

Bacterial Electrocatalysis of K4[Fe(CN)6] Oxidation

DEFF Research Database (Denmark)

Zheng, Zhiyong; Xiao, Yong; Wu, Ranran

Shewanella oneidensis MR-1 (MR-1), a model strain of electrochemically active bacteria, can transfer electrons from cell to extracellular electron acceptors including Fe(III) (hydro)oxides. It has been reported that several redox species such as cytochromes in membranes and flavins assist...... in the electron transport (ET) processes. However, the oxidization of metal compounds was barely described. Here we report electrocatalysis of K4[Fe(CN)6] oxidation by MR-1. K4[Fe(CN)6] is a redox inorganic compound and shows a reversible redox process on bare glassy carbon (GCE). This is reflected by a pair...

Sensitized chemiluminescence of 2-phenyl-4,5-di(2-furyl)-1H-imidazole/K₃Fe(CN)₆/propyl gallate system combining with solid-phase extraction for the determination of propyl gallate in edible oil.

Science.gov (United States)

Kang, Jing; Han, Lu; Chen, Zhonglin; Shen, Jimin; Nan, Jun; Zhang, Yihua

2014-09-15

In this paper, a novel chemiluminescence (CL) method has been developed for the determination of propyl gallate (PG). The proposed method was based on the enhancing effect of PG on the CL signal of 2-phenyl-4,5-di(2-furyl)-1H-imidazole (PDFI) and K3Fe(CN)6 reaction in an alkaline solution. Under the optimum conditions, the enhanced CL intensity was linearly related to the concentration of PG. The linear range of the calibration curve was 0.05-8 μg/mL, and the corresponding detection limit (3σ) was 0.036 μg/mL. The relative standard deviation for determining 1.0 μg/mL PG was 2.8% (n=11). The proposed method has been successfully applied to the determination of PG in edible oil. The edible oil samples were prepared by the solid-phase extraction (SPE) with a C18 column served as the stationary phase. Furthermore, the possible CL mechanism was also discussed briefly based on the photoluminescence (PL) and CL spectra. Copyright © 2014 Elsevier Ltd. All rights reserved.

75 FR 37994 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), CL...

Science.gov (United States)

2010-07-01

... provides data for replacement of the accumulators. The commenter requests that stronger language be... numbers 1004 through 1085 inclusive; (2) Bombardier, Inc. CL-600-2A12 (CL-601) airplanes, serial numbers 3001 through 3066 inclusive; and (3) Bombardier, Inc. CL-600-2B16 (CL-601-3A, CL-601-3R, and CL- 604...

Characterizing ncRNAs in human pathogenic protists using high-throughput sequencing technology

Directory of Open Access Journals (Sweden)

Lesley Joan Collins

2011-12-01

Full Text Available ncRNAs are key genes in many human diseases including cancer and viral infection, as well as providing critical functions in pathogenic organisms such as fungi, bacteria, viruses and protists. Until now the identification and characterization of ncRNAs associated with disease has been slow or inaccurate requiring many years of testing to understand complicated RNA and protein gene relationships. High-throughput sequencing now offers the opportunity to characterize miRNAs, siRNAs, snoRNAs and long ncRNAs on a genomic scale making it faster and easier to clarify how these ncRNAs contribute to the disease state. However, this technology is still relatively new, and ncRNA discovery is not an application of high priority for streamlined bioinformatics. Here we summarize background concepts and practical approaches for ncRNA analysis using high-throughput sequencing, and how it relates to understanding human disease. As a case study, we focus on the parasitic protists Giardia lamblia and Trichomonas vaginalis, where large evolutionary distance has meant difficulties in comparing ncRNAs with those from model eukaryotes. A combination of biological, computational and sequencing approaches has enabled easier classification of ncRNA classes such as snoRNAs, but has also aided the identification of novel classes. It is hoped that a higher level of understanding of ncRNA expression and interaction may aid in the development of less harsh treatment for protist-based diseases.

Characterizing ncRNAs in Human Pathogenic Protists Using High-Throughput Sequencing Technology

Science.gov (United States)

Collins, Lesley Joan

2011-01-01

ncRNAs are key genes in many human diseases including cancer and viral infection, as well as providing critical functions in pathogenic organisms such as fungi, bacteria, viruses, and protists. Until now the identification and characterization of ncRNAs associated with disease has been slow or inaccurate requiring many years of testing to understand complicated RNA and protein gene relationships. High-throughput sequencing now offers the opportunity to characterize miRNAs, siRNAs, small nucleolar RNAs (snoRNAs), and long ncRNAs on a genomic scale, making it faster and easier to clarify how these ncRNAs contribute to the disease state. However, this technology is still relatively new, and ncRNA discovery is not an application of high priority for streamlined bioinformatics. Here we summarize background concepts and practical approaches for ncRNA analysis using high-throughput sequencing, and how it relates to understanding human disease. As a case study, we focus on the parasitic protists Giardia lamblia and Trichomonas vaginalis, where large evolutionary distance has meant difficulties in comparing ncRNAs with those from model eukaryotes. A combination of biological, computational, and sequencing approaches has enabled easier classification of ncRNA classes such as snoRNAs, but has also aided the identification of novel classes. It is hoped that a higher level of understanding of ncRNA expression and interaction may aid in the development of less harsh treatment for protist-based diseases. PMID:22303390

A syntactical comparison between pair sentential calculus PSC and Gupta's definitional calculus Cn

OpenAIRE

石井,忠夫

2016-01-01

In this paper we will compare two logical systems PSC and Cn with a syntactical point of view. Because both notions of the pair-sentence with stage number in PSC and Gupta's sentence-definition with revision stage number in Cn are very similar, and both can deal with paradoxical sentences like a simple Liar sentence. His system was defined as a predicate calculus, but here we will introduce the propositional version of Cn for the comparison, and we had the following results: (1) C0 is a sublo...

Structural variety in solvated lanthanoid (III) halide complexes

International Nuclear Information System (INIS)

Deacon, G.B; Feng, T.; Scott, N.M.; Junk, P.C.; James Cook University, Townsville, QLD; Meyer, G.; Skelton, B.W.; White, A.H.

2000-01-01

Treatment of lanthanum metal with CH 2 Br 2 or CH 2 I 2 in tetrahydrofuran (thf) under ultrasound conditions yields the corresponding [LaX 3 (thf) 4 ] (X Br, I) complexes in good yield. Recrystallization of [LaBr 3 (thf) 4 ] from 1,2-dimethoxyethane (dme) or bis(2-methoxyethyl) ether (dig-lyme) generates [LaBr 2 (μ-Br)(dme) 2 ] 2 and [LaBr 2 (dig-lyme) 2 ][LaBr 4 (diglyme)]. Treatment of lanthanoid metals with hexachloroethane in dme yields [LnCl 3 (dme) 2 ] (Ln = La, Nd, Er or Yb) and in acetonitrile [YbCl 2 (MeCN) 5 ] 2 [YbCl 3 (MeCN)(-Cl) 2 YbCl 3 (MeCN)]. The reaction of Yb metal pieces with 1,2-dibromoethane in thf and dme gave single crystals of [YbBr 3 (thf) 3 ] and [YbBr 3 (dme) 2 ], respectively. The X-ray determined structure of [LaBr 3 (thf) 4 ] shows a seven-coordinate monomer with pentagonal-bipyramidal stereochemistry and apical bromide ligands. For [YbBr 3 (thf) 3 ], a monomeric structure with mer-octahedral stereochemistry is observed. In [LaBr 2 (μ-Br)(dme) 2 ] 2 , two eight-coordinate La centres are linked by two bridging bromides. The dme ligands have a trans relationship to each other, and cis terminal bromides are transoid to the bridging bromides with dodecahedral stereochemistry for La. By contrast, the 1: 1.5 diglyme adduct is found to be ionic [LaBr 2 (diglyme) 2 ][LaBr 4 (diglyme)], with an eight-coordinate bicapped trigonal-prismatic lanthanum cation and a seven-coordinate pentagonal-bipyramidal lanthanum anion. In the cation, the bromide ligands are cis to each other, and in the anion, two bromides are equatorial and two are axial. In [YbBr 3 (dme) 2 ], [YbCl 3 (dme) 2 ] and [ErCl 3 (dme) 2 ], a seven-coordinate pentagonal-bipyramidal arrangement exists with apical halogen ligands. Far-infrared data, and in particular the absence of absorptions attributable to I(La-Cl ter ), suggest that [LaCl 3 (dme)] is polymeric with six bridging chlorides per lanthanum. For [YbCl 2 (MeCN) 5 ] 2 [YbCl 3 (MeCN)(-Cl) 2 YbCl 3 -(MeCN)], a remarkable

Liquid-vapor equilibrium in LaCl3-LuCl3 and PrCl3-NdCl3 systems

International Nuclear Information System (INIS)

Nisel'son, L.A.; Lyzlov, Yu.N.; Solov'ev, S.I.

1978-01-01

The liquid-vapour equilibrium in the systems LaCl 3 -LuCl 3 and PrCl 3 -NdCl 3 was studied by the boiling-point method. It was established that the system LaCl 3 -LuCl 3 is near-ideal. In the PrCl 3 -NdCl 3 system, a considerable positive deviation from the ideal with the formation of an azeotrope was detected. The azeotrope has a ''smeared-out'' minimum, which falls on a mixture containing approximately 65 mol.% neodymium trichloride. The boiling point of this mixture at a pressure of 1 mm Hg is approximately 975 deg C. The relative volatility coefficients in both systems were studied by the Raleigh distillation method. The presence of the azeotrope in the system PrCl 3 -NdCl 3 is confirmed by the nature of the dependence of the relative volatility coefficient on the composition of the mixture

Desempenho e Características da Carcaça de Vacas de Diferentes Grupos Genéticos em Pastagem Cultivada com Suplementação Energética Performance and Carcass Characteristics of Cows of Different Genetic Groups, Submitted to Energetic Supplementation Levels on Winter Cultivated Pasture

Directory of Open Access Journals (Sweden)

João Restle

2001-12-01

Full Text Available O objetivo deste trabalho foi testar diferentes níveis de suplementação energética na forma de grão de sorgo moído, para a terminação em pastagem, de vacas de descarte de diferentes genótipos Charolês (C x Nelore (N. Foram utilizadas trinta vacas de descarte, dos seguintes grupos genéticos: C, N, 3/4 C + 1/4 N (CN e 3/4 N + 1/4 C (NC, terminadas em pastagem cultivada de aveia (Avena strigosa + azevém (Lolium multiflorum, distribuídas em três níveis de suplementação (NS: 0,0; 0,4; ou 0,8% do peso vivo. No estudo do efeito de grupo genético, verificou-se que os ganhos de peso médio diário foram de 1,03; 1,06; 1,36; e 1,02 kg, respectivamente, para C, N, CN e NC. O peso final foi de 453, 412, 515 e 478 kg, citados na mesma ordem. O ganho de condição corporal (CC durante a terminação foi maior nas vacas N (1,81 pontos em relação as C (1,09 pontos e CN (0,99 pontos, ficando as vacas NC com valor intermediário (1,42 pontos. Verificou-se que vacas C apresentam maior peso de carcaça, melhor conformação e área de Longissimus dorsi em relação às vacas N, enquanto estas, apresentam maior percentagem de osso. As vacas CN mostraram carne de coloração mais clara que as NC. Os ganhos de peso médio diário foram de 0,92; 1,23; e 1,20 kg, respectivamente, para os níveis 0,0; 0,4 e 0,8% de suplementação.The objective of this work was to evaluate different levels of enegetic supplementation, in the form of grounded sorghum for finishing of cull cows from different genotypes of Charolais (C x Nellore (N, kept on cultivated pasture during the last half of the vegetative cycle. Thirty C, N, 3/4 C + 1/4 N (CN and 3/4 N + 1/4 C (NC beef cows, kept on cultivated pasture of oats (Avena strigosa + ryegrass (Lolium multiflorum were allotted in three supplementation levels: .0, .4 or .8% of live weight. In the study of the genetic group effect, it was observed that the average daily gain was 1.03, 1.06, 1.36 and 1.02 kg, respectively

Efficient adsorption of Au(CN)2- from gold cyanidation with graphene oxide-polyethylenimine hydrogel as adsorbent

Science.gov (United States)

Yang, Lang; Jia, Feifei; Yang, Bingqiao; Song, Shaoxian

The adsorption of gold cyanide complex ion (Au(CN)2-) on graphene oxide-polyethylenimine hydrogel (GO/PEI hydrogel) from gold cyanidation has been studied to explore the possibility of the application of GO/PEI hydrogel in gold cyanidation process for extracting gold from ores. The adsorption was carried out in artificial Au(CN)2- aqueous solution with GO/PEI hydrogel as adsorbent. The experimental results, as well as IR, XPS and SEM-EDS, have shown that GO/PEI hydrogel exhibited a high adsorption capacity and a fast adsorption rate of Au(CN)2-, suggesting that GO/PEI hydrogel might be a good adsorbent for the recovery of Au(CN)2-. The adsorption of Au(CN)2- on GO/PEI hydrogel obeyed the Langmuir isotherm model and fitted well with the pseudo second order model. The good recovery of Au(CN)2- was largely related to the porous structure, large specific surface area, as well as the oxygenous functional groups on the surface of GO/PEI hydrogel.

Spectra and relaxation dynamics of the pseudohalide (PS) vibrational bands for Ru(bpy){sub 2}(PS){sub 2} complexes, PS = CN, NCS and N{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Compton, Ryan; Gerardi, Helen K. [Chemistry Division, Naval Research Laboratory, Washington, DC 20375 (United States); Weidinger, Daniel [SRA International, 4300 Fair Lakes Court, Fairfax, VA 22033 (United States); Brown, Douglas J. [Chemistry Department, US Naval Academy, Annapolis, MD 21402 (United States); Dressick, Walter J. [Center for Bio/Molecular Science and Engineering, Naval Research Laboratory, Washington, DC 20375 (United States); Heilweil, Edwin J. [Radiation and Biomolecular Physics Division, Physical Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Owrutsky, Jeffrey C., E-mail: Jeff.Owrutsky@nrl.navy.mil [Chemistry Division, Naval Research Laboratory, Washington, DC 20375 (United States)

2013-08-30

Highlights: ► Static and transient infrared spectroscopy of pseudohalide bipyridine ruthenium complexes. ► Vibrational energy relaxes faster for the azide than the thiocyanate and cyanide analogs. ► Intramolecular vibrational relaxation is prevalent in cis-Ru(bpy){sub 2}(N{sub 3}){sub 2}. - Abstract: Static and transient infrared spectroscopy were used to investigate cis-Ru(bpy){sub 2}(N{sub 3}){sub 2} (bpy = 2,2′-bipyridine), cis-Ru(bpy){sub 2}(NCS){sub 2}, and cis-Ru(bpy){sub 2}(CN){sub 2} in solution. The NC stretching IR band for cis-Ru(bpy){sub 2}(NCS){sub 2} appears at higher frequency (∼2106 cm{sup −1} in DMSO) than for the free NCS{sup −} anion while the IR bands for the azide and cyanide complexes are closer to those of the respective free anions. The vibrational energy relaxation (VER) lifetime for the azide complex is found to be much shorter (∼5 ps) than for either the NCS or CN species (both ∼70 ps in DMSO) and the lifetimes resemble those for each corresponding free anion in solution. However, for cis-Ru(bpy){sub 2}(N{sub 3}){sub 2}, it is determined that the transition frequency depends more on the solvent than the VER lifetime implying that intramolecular vibrational relaxation is predominant over solvent energy-extracting interactions. These results are compared to the behavior of other related metal complexes in solution.

EDF-1 downregulates the CaM/Cn/NFAT signaling pathway during adipogenesis

International Nuclear Information System (INIS)

López-Victorio, Carlos J.; Velez-delValle, Cristina; Beltrán-Langarica, Alicia; Kuri-Harcuch, Walid

2013-01-01

Highlights: ► EDF-1 participates early adipogenesis in 3T3F442A cells induced with Staurosporine/Dexamethasone. ► EDF-1 associates with CaM and Cn, most likely inactivating Cn. ► EDF-1/CaM complex seems to prevent NFATc1 activation by Cn. ► EDF-1 regulates the Cn/CaM/NFATc1 pathway during adipogenesis. ► EDF-1 may regulate the activation of Cn through a complex formation with CaM. - Abstract: The endothelial differentiation factor-1 (EDF-1) is a calmodulin binding protein that regulates calmodulin-dependent enzymes. In endothelial cells, this factor can form a protein complex with calmodulin. We analyzed the relationship between this factor and the members of calmodulin/calcineurin/nuclear factor of activated T-cells (NFAT) signaling pathway during adipogenesis of 3T3-F442A cells. We found that the expression of edf1 is upregulated during early adipogenesis, whereas that of calcineurin gene is lowered, suggesting that this pathway should be downregulated to allow for adipogenesis to occur. We also found that EDF-1 associates with calmodulin and calcineurin, most likely inactivating calcineurin. Our results showed that EDF-1 inactivates the calmodulin/calcineurin/NFAT pathway via sequestration of calmodulin, during early adipogenesis, and we propose a mechanism that negatively regulates the activation of calcineurin through a complex formation between EDF-1 and calmodulin. This finding raises the possibility that modulating this pathway might offer some alternatives to regulate adipose biology

EDF-1 downregulates the CaM/Cn/NFAT signaling pathway during adipogenesis

Energy Technology Data Exchange (ETDEWEB)

López-Victorio, Carlos J.; Velez-delValle, Cristina; Beltrán-Langarica, Alicia [Department of Cell Biology, Center for Research and Advanced Studies-IPN, Apdo. Postal 14-740, México City 07000 (Mexico); Kuri-Harcuch, Walid, E-mail: walidkuri@gmail.com [Department of Cell Biology, Center for Research and Advanced Studies-IPN, Apdo. Postal 14-740, México City 07000 (Mexico)

2013-03-01

Highlights: ► EDF-1 participates early adipogenesis in 3T3F442A cells induced with Staurosporine/Dexamethasone. ► EDF-1 associates with CaM and Cn, most likely inactivating Cn. ► EDF-1/CaM complex seems to prevent NFATc1 activation by Cn. ► EDF-1 regulates the Cn/CaM/NFATc1 pathway during adipogenesis. ► EDF-1 may regulate the activation of Cn through a complex formation with CaM. - Abstract: The endothelial differentiation factor-1 (EDF-1) is a calmodulin binding protein that regulates calmodulin-dependent enzymes. In endothelial cells, this factor can form a protein complex with calmodulin. We analyzed the relationship between this factor and the members of calmodulin/calcineurin/nuclear factor of activated T-cells (NFAT) signaling pathway during adipogenesis of 3T3-F442A cells. We found that the expression of edf1 is upregulated during early adipogenesis, whereas that of calcineurin gene is lowered, suggesting that this pathway should be downregulated to allow for adipogenesis to occur. We also found that EDF-1 associates with calmodulin and calcineurin, most likely inactivating calcineurin. Our results showed that EDF-1 inactivates the calmodulin/calcineurin/NFAT pathway via sequestration of calmodulin, during early adipogenesis, and we propose a mechanism that negatively regulates the activation of calcineurin through a complex formation between EDF-1 and calmodulin. This finding raises the possibility that modulating this pathway might offer some alternatives to regulate adipose biology.

The baryon vector current in the combined chiral and 1/Nc expansions

Energy Technology Data Exchange (ETDEWEB)

Flores-Mendieta, Ruben; Goity, Jose L [JLAB

2014-12-01

The baryon vector current is computed at one-loop order in large-Nc baryon chiral perturbation theory, where Nc is the number of colors. Loop graphs with octet and decuplet intermediate states are systematically incorporated into the analysis and the effects of the decuplet-octet mass difference and SU(3) flavor symmetry breaking are accounted for. There are large-Nc cancellations between different one-loop graphs as a consequence of the large-Nc spin-flavor symmetry of QCD baryons. The results are compared against the available experimental data through several fits in order to extract information about the unknown parameters. The large-Nc baryon chiral perturbation theory predictions are in very good agreement both with the expectations from the 1/Nc expansion and with the experimental data. The effect of SU(3) flavor symmetry breaking for the |Delta S|=1 vector current form factors f1(0) results in a reduction by a few percent with respect to the corresponding SU(3) symmetric values.

33 CFR 110.170 - Lockwoods Folly Inlet, N.C.

Science.gov (United States)

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Lockwoods Folly Inlet, N.C. 110.170 Section 110.170 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY ANCHORAGES ANCHORAGE REGULATIONS Anchorage Grounds § 110.170 Lockwoods Folly Inlet, N.C. (a) Explosives...

Review IPEEE C.N. external event Vandellos II; Revision del IPEEE de otros sucesos externos de C.N. Vandellos II

Energy Technology Data Exchange (ETDEWEB)

Hernandez, H.; Gasca, C.; Beltran, F.; Salvat, M.; Pifarre, D.; Canadell, F.; Aleman, A.

2010-07-01

Within the process of maintaining and updating the risk analysis of CN Vandellos II, results from the review of the study of vulnerability of the plant against severe accidents caused by external events (Individual Plant Examination on Extornal Events, IPEEE).

Routine production of H11CN and :11C:-1-aminocyclopentanecarboxylic acid

International Nuclear Information System (INIS)

Sambre, J.; Vandecasteele, C.; Geothals, P.; Rabi, N.A.; Haver, D. van; Slegers, G.

1985-01-01

The production of H 11 CN using the 14 N(p,α) 11 C reaction, was studied. The yield is 140 mCi/μA at saturation (EOB). From 1.8 Ci of H 11 CN 140 mCi of [ 11 C]ACPC are produced routinely and under remote-control. Chemical and pharmaceutical controls showed that the product is suitable for injection. (author)

Fusion-Fission process and gamma spectroscopy of binary products in light heavy ion collisions (40 {<=} A{sub CN} {<=} 60); Processus de fusion-fission et spectroscopie gamma des produits binaires dans les collisions entre ions lourds legers (40 {<=} A{sub NC} {<=} 60)

Energy Technology Data Exchange (ETDEWEB)

Nouicer, Rachid [Institut de Recherche Subatomique, CNRS-IN2P3 - Universite Louis Pasteur, 67 - Strasbourg (France)

1997-11-21

During the work on which this Thesis is based, the significant role of the Fusion-Fission Asymmetric mechanism in light heavy ion collisions (A{sub NC} {<=} 60) has been emphasized. The Spin Dis-alignment in the oblate-oblate system has supplied evidence for the first time for the Butterfly mode in a resonant-like reaction. These two aspects, one macroscopic and the other more closely related to microscopic effects are certainly different from a conceptual point of view but are quite complementary for a global understanding of dinuclear systems. In the first part, inclusive and exclusive measurements of the {sup 35}Cl + {sup 12}C and {sup 35}Cl + {sup 24}Mg reaction have been performed at 8 MeV/nucleon in the Saclay experiment. These measurements have permitted us to verify the origin of products which have given rise of the asymmetric fusion-fission mechanism and which have demonstrated that the three-body process in this energy range is very weak. In the second part the {sup 28}Si + {sup 28}Si reaction has been performed at the resonance energy E{sub lab}> = 111.6 MeV at Strasbourg with the Eurogam phase II multi-detector array and VIVITRON accelerator. An angular momentum J{sup {pi}} 38{sup +} for inelastic and mutual channels of the {sup 28}Si + {sup 28}Si exit channel has been measured and has supplied evidence for a spin dis-alignment which has been interpreted in the framework of a molecular model by Butterfly motion. The spectroscopic study of {sup 32}S nucleus, has revealed the occurrence of a new {gamma}-ray transition 0{sup +}(8507.8 keV) {yields} 2{sub 1}{sup +}(2230.2 keV). (author) 105 refs., 116 figs., 26 tabs.

Sulphur and oxygen sequestration of n-C 37 and n-C 38 unsaturated ketones in an immature kerogen and the release of their carbon skeletons during early stages of thermal maturation

Science.gov (United States)

Koopmans, Martin P.; Schaeffer-Reiss, Christine; de Leeuw, Jan W.; Lewan, Michael D.; Maxwell, James R.; Schaeffer, Philippe; Sinninghe Damsté, Jaap S.

1997-06-01

Sedimentary rock from the Gessoso-solfifera Formation (Messinian) in the Vena del Gesso Basin (northern Italy) containing immature ( Ro = 0.25%) S-rich organic matter was artificially matured by hydrous pyrolysis at temperatures from 160 to 330°C for 72 h to study the diagenetic fate of n-C 37 and n-C 38 di- and tri-unsaturated methyl and ethyl ketones (alkenones) biosynthesised by several prymnesiophyte algae. During early diagenesis, the alkenones are incorporated into the kerogen by both sulphur and oxygen cross-linking as indicated by chemical degradation experiments with the kerogen of the unheated sample. Heating at temperatures between 160 and 260°C, which still represents early stages of thermal maturation, produces large amounts (up to 1 mg/g TOC) of S-bound, O-bound, and both S- and O-bound n-C 37 and n-C 38 skeletons, saturated n-C 37 and n-C38 methyl, ethyl, and mid-chain ketones, C 37 and C 38 mid-chain 2,5-di- n-alkylthiophenes, C 37 and C 38 1,2-di- n-alkylbenzenes, and C 37 and C 38n-alkanes. With increasing thermal maturation, three forms of the n-C 37 and n-C 38 skeletons are relatively stable (saturated hydrocarbons, 1,2-di- n-alkylbenzenes and saturated ketones), whereas the S- and O-bound skeletons are relatively labile. These results suggest that in natural situations saturated ketones with an n-C 37 and n-C 38 skeleton can be expected as well as the corresponding hydrocarbons.

Sulphur and oxygen sequestration of n-C37 and n-C38 unsaturated ketones in an immature kerogen and the release of their carbon skeletons during early stages of thermal maturation

Science.gov (United States)

Koopmans, M.P.; Schaeffer-Reiss, C.; De Leeuw, J. W.; Lewan, M.D.; Maxwell, J.R.; Schaeffer, P.; Sinninghe, Damste J.S.

1997-01-01

Sedimentary rock from the Gessoso-solfifera Formation (Messinian) in the Vena del Gesso Basin (northern Italy) containing immature (Ro = 0.25%) S-rich organic matter was artificially matured by hydrous pyrolysis at temperatures from 160 to 330??C for 72 h to study the diagenetic fate of n-C37 and n-C38 di-and tri-unsaturated methyl and ethyl ketones (alkenones) biosynthesised by several prymnesiophyte algae. During early diagenesis, the alkenones are incorporated into the kerogen by both sulphur and oxygen cross-linking as indicated by chemical degradation experiments with the kerogen of the unheated sample. Heating at temperatures between 160 and 260??C, which still represents early stages of thermal maturation, produces large amounts (up to 1 mg/g TOC) of S-bound, O-bound, and both S-and O-bound n-C37 and n-C38 skeletons, saturated n-C37 and n-C38 methyl, ethyl, and mid-chain ketones, C37 and C38 mid-chain 2,5-di-n-alkylthiophenes, C37 and C38 1,2-di-n-alkylbenzenes, and C37 and C38 n-alkanes. With increasing thermal maturation, three forms of the n-C37 and n-C38 skeletons are relatively stable (saturated hydrocarbons, 1,2-di-n-alkylbenzenes and saturated ketones), whereas the S-and O-bound skeletons are relatively labile. These results suggest that in natural situations saturated ketones with an n-C37 and n-C38 skeleton can be expected as well as the corresponding hydrocarbons. Copyright ?? 1997 Elsevier Science Ltd.

Reduction behaviors of Zr for LiCl-KCl-ZrCl4 and LiCl-KCl-ZrCl4-CdCl2

International Nuclear Information System (INIS)

Kim, Si Hyung; Yoon, Jongho; Kim, Gha Young; Kim, Tack Jin; Shim, Joon Bo; Kim, Kwang Rag; Jung, Jae Hoo; Ahn, Do Hee; Paek, Seungwoo

2013-01-01

The reduction potentials of most of the zirconium ions on the solid cathode are smaller (about 0.4V) than that of uranium, and thus zirconium can be recovered prior to uranium during the reduction stage. In the case of a liquid cadmium cathode, which is one of the major cathodes, the reduction potential can be changed because zirconium reacts with the liquid cadmium. Up to now, it has not been well known what the reduction potential of Zr was on the liquid Cd cathode. According to the Cd-Zr phase diagram, there are four intermetallic compounds between cadmium and zirconium. It is easier to use the solid cathode than the liquid cadmium cathode in LiCl-KCl-ZrCl 4 containing CdCl 2 to identify the formation of the Cd-Zr phase. In this study, the reduction behaviors of zirconium were compared in the LiCl-KCl-ZrCl 4 and LiCl-KCl-ZrCl 4 -CdCl 2 solutions when using a solid cathode. The reduction behavior of Zr at a solid W cathode and a Cd-coated W cathode was compared in a LiCl-KCl-ZrCl 4 solution at 500 .deg. C. It was observed from the results using a solid W cathode that Zr 4+ ions were gradually oxidized to Zr 2+ , Zr, and ZrCl during the reduction sweep, but the final oxidation peak of Zr 2+ to Zr 4+ seemed to be unclear during the oxidation sweep. In the case of the Cd-coated W electrode, only a Cd 2 Zr phase was formed at 500 .deg. C, which seemed to be related to the melting point of Cd-Zr intermetallics. Through additional studies at different temperatures, the formation behavior will be studied

[Hydrogen production and enzyme activity of acidophilic strain X-29 at different C/N ratio].

Science.gov (United States)

Li, Qiu-bo; Xing, De-feng; Ren, Nan-qi; Zhao, Li-hua; Song, Ye-ying

2006-04-01

Some fermentative bacteria can produce hydrogen by utilizing carbohydrate and other kinds of organic compounds as substrates. Hydrogen production was also determined by both the limiting of growth and related enzyme activity in energy metabolism. Carbon and nitrogen are needed for the growth and metabolism of microorganisms. In addition, the carbon/nitrogen (C/N) ratio can influence the material metabolized and the energy produced. In order to improve the hydrogen production efficiency of the bacteria, we analyzed the effect of different C/N ratios on hydrogen production and the related enzyme activities in the acidophilic strain X-29 using batch test. The results indicate that the differences in the metabolism level and enzyme activity are obvious at different C/N ratios. Although the difference in liquid fermentative products produced per unit of biomass is not obvious, hydrogen production is enhanced at a specifically determined ratio. At a C/N ratio of 14 the accumulative hydrogen yield of strain X-29 reaches the maximum, 2210.9 mL/g. At different C/N ratios, the expression of hydrogenase activity vary; the activity of hydrogenase decrease quickly after reaching a maximum along with the fermentation process, but the time of expression is short. The activity of alcohol dehydrogenase (ADH) tend to stabilize after reaching a peak along with the fermentation process, the difference in expression activity is little, and the expression period is long at different C/N ratios. At a C/N ratio of 14 hydrogenase and ADH reach the maximum 2.88 micromol x (min x mg)(-1) and 33.2 micromol x (min x mg)(-1), respectively. It is shown that the C/N ratio has an important effect on enhancing hydrogen production and enzyme activity.

Low energy electron attachment to cyanamide (NH{sub 2}CN)

Energy Technology Data Exchange (ETDEWEB)

Tanzer, Katrin; Denifl, Stephan, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Pelc, Andrzej, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Mass Spectrometry Department, Institute of Physics, Marie Curie-Sklodowska University, Pl. M. C.-Sklodowskiej 1, 20-031 Lublin (Poland); Huber, Stefan E. [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany); Czupyt, Z. [Ion Microprobe Facility Micro-area Analysis Laboratory, Polish Geological Institute–National Research Institute, Rakowiecka 4, 00-975 Warszawa (Poland)

2015-01-21

Cyanamide (NH{sub 2}CN) is a molecule relevant for interstellar chemistry and the chemical evolution of life. In the present investigation, dissociative electron attachment to NH{sub 2}CN has been studied in a crossed electron–molecular beams experiment in the electron energy range from about 0 eV to 14 eV. The following anionic species were detected: NHCN{sup −}, NCN{sup −}, CN{sup −}, NH{sub 2}{sup −}, NH{sup −}, and CH{sub 2}{sup −}. The anion formation proceeds within two broad electron energy regions, one between about 0.5 and 4.5 eV and a second between 4.5 and 12 eV. A discussion of possible reaction channels for all measured negative ions is provided. The experimental results are compared with calculations of the thermochemical thresholds of the anions observed. For the dehydrogenated parent anion, we explain the deviation between the experimental appearance energy of the anion with the calculated corresponding reaction threshold by electron attachment to the isomeric form of NH{sub 2}CN—carbodiimide.

Multiple stellar populations of globular clusters from homogeneous Ca-Cn photometry. II. M5 (NGC 5904) and a new filter system

OpenAIRE

Lee, Jae-Woo

2017-01-01

Using our ingeniously designed new filter systems, we investigate the multiple stellar populations of the RGB and AGB in the GC M5. Our results are the following. (1) Our cn_jwl index accurately traces the nitrogen abundances in M5, while other color indices fail to do so. (2) We find bimodal CN distributions both in the RGB and the AGB sequences, with the number ratios between the CN-weak (CN-w) and the CN-strong (CN-s) of n(CN-w):n(CN-s) = 29:71(+/- 2) and 21:79(+/- 7), respectively. (3) We...

Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.

Science.gov (United States)

Ruiz-Castillo, Paula; Buchwald, Stephen L

2016-10-12

Pd-catalyzed cross-coupling reactions that form C-N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C-N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts.

EST Table: CN379387 [KAIKOcDNA[Archive

Lifescience Database Archive (English)

Full Text Available CN379387 rzhswbb0_004120 10/09/28 99 %/113 aa gb|ADB13006.1| elongation factor-1 alpha [Colias pelidne skinn...eri] 10/09/01 95 %/113 aa FBpp0257399|DyakGE12389-PA 10/08/28 77 %/113 aa R03G5.1d#

?????????? ?????, ?????????? ??????????? ?? ?????????? ?????????? ????? ? ?????? ???????? ZnCl2 +NH4Cl

OpenAIRE

Kuntyi, Orest; Zozulya, Galyna

2010-01-01

Zinc cementation by magnesium from ZnCl2 + NH4Cl aqueous solutions has been investigated. The amount of magnesium has been established as 0.8?2.0 g per 1 g of conditioned zinc to obtain recovery degree ? 99 %. At low concentrations of Zn2+ ions (0.025?0.1 M ZnCl2) dispersed deposit is formed with nanoparticles of reduced metal; at high concentrations (0.25?0.5 M) coarse-crystalline and fern-shaped deposit is formed. ?????????? ?????????? ????? ??????? ? ?????? ???????? ZnCl2 + NH4Cl. ????????...

Synthesis of SiCN@TiO2 core-shell ceramic microspheres via PDCs method

Science.gov (United States)

Liu, Hongli; Wei, Ning; Li, Jing; Zhang, Haiyuan; Chu, Peng

2018-02-01

A facile and effective polymer-derived ceramics (PDCs) emulsification-crosslinking-pyrolysis method was developed to fabricate SiCN@TiO2 core-shell ceramic microspheres with polyvinylsilazane (PVSZ) and tetrabutyl titanate (TBT) as precursors. The TBT: PVSZ mass ratios, emulsifier concentrations and the pyrolysis temperature were examined as control parameters to tune the size and morphology of microspheres. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed the synthesized SiCN@TiO2 microspheres to be comprised of SiCN core coated with TiO2 crystals, with an average size of 0.88 μm when pyrolyzed at 1400 °C. The analysis of Fourier transform infrared spectroscopy (FT-IR), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) ensured that SiCN@TiO2 core-shell ceramic microspheres composed of rutile TiO2, β-SiC and Si3N4 crystalline phases, The thermal properties were characterized by thermogravimetric analysis (TGA). The obtained SiCN@TiO2 core-shell ceramic microspheres were the promising candidate of the infrared opacifier in silica aerogels and this technique can be extended to other preceramic polymers.

Tetracarboxylatodirhenium complexes linked by axial cyano bridges to metalpentacarbonyl ligands - synthesis and characterization

International Nuclear Information System (INIS)

Kuehn, F.E.; Wachter, W.; Goncalves, I.S.; Aveiro Univ.; Lopes, A.D.; Lopes, J.P.; Romao, C.C.; Mink, J.; Veszprem Univ.; Hajba, L.; Parola, A.J.; Pina, F.; Sotomayor, J.

1999-01-01

Reaction of Re 2 {μ-O 2 CC(CH 3 ) 3 } 4 Cl 2 with [(CO) 5 M-CN]Na (M=Cr, Mo, W) leads to tetranuclear complexes of formula Re 2 {μ-O 2 CC(CH 3 ) 3 } 4 [-NC-M(CO) 5 ] 2 (M=Cr, Mo, W). These complexes were characterized by 1 H-, 13 C-, and 95 Mo-NMR, IR and Raman spectroscopy, elemental analysis and examined by cyclic voltammetry. The applied methods show the donor capabilities of the [(CO) 5 M-CN] - ligands which shift electron density towards the Re centers weakening the Re-Re quadruple bond. The Re-Re bond lengths and the ν(Re-Re) force constants are estimated based on the FT-IR and Raman examinations. Photchemical examinations and TG/MS experiments have also been conducted. The latter method shows that the product complexes decompose around 100 C, but first loosing their carbonyl substituents; as do the Cr, Mo, W precursor compounds. The dirhenium tetrapivalate unit decomposes only at higher temperatures in a distinct second step. (orig.)

EPR spectroscopy on irradiated nickel tetracyanide in NaCl host lattice: mechanism for the simultaneous formation of reduced and oxidized species

International Nuclear Information System (INIS)

Braga de Araujo, M.; Pinhal, Nelson Moreira; Vugman, Ney Vernon

2002-01-01

The kinetics of oxidized and reduced Ni 2+ complexes produced by X-ray irradiation on single crystals of NaCl doped with [Ni(CN) 4 ] 2- is studied by Electron Paramagnetic Resonance at room temperature. The interdependent generation of these two complexes is attributed to migration of the charge compensating vacancy from the reduced to the oxidized complex in a reversible reaction. At higher X-ray doses, there is a predominant formation of the reduced complex

Substitution and Redox Chemistry of [Bu(4)N](2)[Ta(6)Cl(12)(OSO(2)CF(3))(6)].

Science.gov (United States)

Prokopuk, Nicholas; Kennedy, Vance O.; Stern, Charlotte L.; Shriver, Duward F.

1998-09-21

Two sequential electrochemical reductions occur for the cluster anion [Ta(6)Cl(12)(OSO(2)CF(3))(6)](2)(-) at 0.89 and 0.29 V vs Ag/AgCl, with the generation [Ta(6)Cl(12)(OSO(2)CF(3))(6)](3)(-) and [Ta(6)Cl(12)(OSO(2)CF(3))(6)](4)(-). Chemical reduction of [Ta(6)Cl(12)(OSO(2)CF(3))(6)](2)(-) by ferrocene produces [Ta(6)Cl(12)(OSO(2)CF(3))(6)](3)(-) with the concomitant shift of the nu(SO(2)) stretch from 1002 to 1018 cm(-)(1). Reaction of [Bu(4)N](2)[Ta(6)Cl(12)(OSO(2)CF(3))(6)] (1) with [Bu(4)N]X (X = Cl, Br, I, NCS) occurs by reduction and substitution, yielding [Bu(4)N](3)[Ta(6)Cl(12)X(6)], where the clusters with X = Br, I, and NCS are new. Spectroscopic (IR and UV-vis) evidence indicates that the reduced cluster core {Ta(6)Cl(12)}(2+) is produced in reaction mixtures of 1 with the halide and pseudohalide ions. Concomitant substitution of the triflate ligands of 1 by X(-) occurs and the rates for the overall reduction and substitution increase in the order X(-) = Cl(-) < Br(-) < NCS(-) < I(-) < CN(-). Reduction of 1 with ferrocene followed by addition of [Bu(4)N]O(2)CCH(3) produces the new cluster [Ta(6)Cl(12)(O(2)CCH(3))(6)](3)(-) isolated as the tetrabutylammonium salt. Cyclic voltammetry and UV-vis spectroscopy on the new clusters [Bu(4)N](3)[Ta(6)Cl(12)X(6)] (X = Br, I, NCS, and O(2)CCH(3)) are reported. Crystal data for [Bu(4)N](3)[Ta(6)Cl(12)(NCS)(6)].CH(2)Cl(2): monoclinic, space group, P2(1)/c (No. 14); a = 25.855(6) Å, b = 21.843(6) Å, c = 16.423(3) Å; beta = 100.03(2) degrees; V = 9133(3) Å(3); Z = 4.

Synthesis of polypyrrole within the cell wall of yeast by redox-cycling of [Fe(CN)6](3-)/[Fe(CN)6](4-).

Science.gov (United States)

Ramanavicius, Arunas; Andriukonis, Eivydas; Stirke, Arunas; Mikoliunaite, Lina; Balevicius, Zigmas; Ramanaviciene, Almira

2016-02-01

Yeast cells are often used as a model system in various experiments. Moreover, due to their high metabolic activity, yeast cells have a potential to be applied as elements in the design of biofuel cells and biosensors. However a wider application of yeast cells in electrochemical systems is limited due to high electric resistance of their cell wall. In order to reduce this problem we have polymerized conducting polymer polypyrrole (Ppy) directly in the cell wall and/or within periplasmic membrane. In this research the formation of Ppy was induced by [Fe(CN)6](3-)ions, which were generated from K4[Fe(CN)6], which was initially added to polymerization solution. The redox process was catalyzed by oxido-reductases, which are present in the plasma membrane of yeast cells. The formation of Ppy was confirmed by spectrophotometry and atomic force microscopy. It was confirmed that the conducting polymer polypyrrole was formed within periplasmic space and/or within the cell wall of yeast cells, which were incubated in solution containing pyrrole, glucose and [Fe(CN)6](4-). After 24h drying at room temperature we have observed that Ppy-modified yeast cell walls retained their initial spherical form. In contrast to Ppy-modified cells, the walls of unmodified yeast have wrinkled after 24h drying. The viability of yeast cells in the presence of different pyrrole concentrations has been evaluated. Copyright © 2015 Elsevier Inc. All rights reserved.

Review IPEEE C.N. external event Vandellos II

International Nuclear Information System (INIS)

Hernandez, H.; Gasca, C.; Beltran, F.; Salvat, M.; Pifarre, D.; Canadell, F.; Aleman, A.

2010-01-01

Within the process of maintaining and updating the risk analysis of CN Vandellos II, results from the review of the study of vulnerability of the plant against severe accidents caused by external events (Individual Plant Examination on Extornal Events, IPEEE).

Multiple Stellar Populations of Globular Clusters from Homogeneous Ca-CN Photometry. II. M5 (NGC 5904) and a New Filter System

Science.gov (United States)

Lee, Jae-Woo

2017-07-01

Using our ingeniously designed new filter systems, we investigate multiple stellar populations of the red giant branch (RGB) and the asymptotic giant branch (AGB) in the globular cluster (GC) M5. Our results are the following. (1) Our {{cn}}{JWL} index accurately traces nitrogen abundances in M5, while other color indices fail to do so. (2) We find bimodal CN distributions in both RGB and AGB sequences, with number ratios between CN-weak (CN-w) and CN-strong (CN-s) of n(CN-w):n(CN-s) = 29:71 (±2) and 21:79 (±7), respectively. (3) We also find a bimodal photometric [N/Fe] distribution for M5 RGB stars. (4) Our {{cn}}{JWL}-[O/Fe] and {{cn}}{JWL}-[Na/Fe] relations show clear discontinuities between the two RGB populations. (5) Although small, the RGB bump of CN-s is slightly brighter, {{Δ }}{V}{bump} = 0.07 ± 0.04 mag. If real, the difference in the helium abundance becomes {{Δ }}Y = 0.028 ± 0.016, in the sense that CN-s is more helium enhanced. (6) Very similar radial but different spatial distributions with comparable center positions are found for the two RGB populations. The CN-s RGB and AGB stars are more elongated along the NW-SE direction. (7) The CN-s population shows a substantial net projected rotation, while that of the CN-w population is nil. (8) Our results confirm the deficiency of CN-w AGB stars previously noted by others. We show that it is most likely due to stochastic truncation in the outer part of the cluster. Finally, we discuss the formation scenario of M5. Based on observations made with the Cerro Tololo Inter-American Observatory (CTIO) 1 m telescope, which is operated by the SMARTS consortium.

Soil microbial C:N ratio is a robust indicator of soil productivity for paddy fields

Science.gov (United States)

Li, Yong; Wu, Jinshui; Shen, Jianlin; Liu, Shoulong; Wang, Cong; Chen, Dan; Huang, Tieping; Zhang, Jiabao

2016-10-01

Maintaining good soil productivity in rice paddies is important for global food security. Numerous methods have been developed to evaluate paddy soil productivity (PSP), most based on soil physiochemical properties and relatively few on biological indices. Here, we used a long-term dataset from experiments on paddy fields at eight county sites and a short-term dataset from a single field experiment in southern China, and aimed at quantifying relationships between PSP and the ratios of carbon (C) to nutrients (N and P) in soil microbial biomass (SMB). In the long-term dataset, SMB variables generally showed stronger correlations with the relative PSP (rPSP) compared to soil chemical properties. Both correlation and variation partitioning analyses suggested that SMB N, P and C:N ratio were good predictors of rPSP. In the short-term dataset, we found a significant, negative correlation of annual rice yield with SMB C:N (r = -0.99), confirming SMB C:N as a robust indicator for PSP. In treatments of the short-term experiment, soil amendment with biochar lowered SMB C:N and improved PSP, while incorporation of rice straw increased SMB C:N and reduced PSP. We conclude that SMB C:N ratio does not only indicate PSP but also helps to identify management practices that improve PSP.

Noise in NC-AFM measurements with significant tip–sample interaction

Directory of Open Access Journals (Sweden)

Jannis Lübbe

2016-12-01

Full Text Available The frequency shift noise in non-contact atomic force microscopy (NC-AFM imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip–sample interactions. The total noise power spectral density DΔf(fm is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip–sample interaction, by the coupling between the amplitude and tip–sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL detector used for frequency demodulation. Here, we measure DΔf(fm for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip–sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops.

ORF Sequence: NC_002695 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002695 gi|15830145 >gi|15830145|ref|NP_308918.1| putative transmembrane subunit...IFVPIGALQAGEALWHWSVIPLGLAVAILSTALPYSLEMIALTRLPTRTFGTLMSMEPALAAVSGMIFLGETLTPIQLLALGAIIAASMGSTLTVRKESKIKELDIN

ORF Sequence: NC_004307 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004307 gi|23464690 >gi|23464690|ref|NP_695293.1| hypothetical transmembrane pro...LVQLCAMGFIIGYVIRSNNVWMVFSLMAVMLVAAVQIVMSRARGIPKGLAGPIFLSLVITMLLMLALVTELIVRPHPWYAPQLVVPLTGMLLGNTVSALAVGLSRFYESME

ORF Sequence: NC_005027 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005027 gi|32471017 >gi|32471017|ref|NP_864010.1| hypothetical protein-transmemb...HALISRLRIWGRETLTEMPSWLVSMVVHLTLLLVLALIGRSTSKVGQIELLFRQSSESSSMELAEFTIAAAAPLESFERSMEEERIATTQLVSIDVIDAEAEMFSLVP

ORF Sequence: NC_002942 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002942 gi|52840424 >gi|52840424|ref|YP_094223.1| probable transmembrane protein...EYKRAQKQTFVMFFKGSLKGLVTTAPVTYRGVKIGEVKVIEITENKEHSKVLIPVYVQFFVERTYGFSQDPIHLLIDNGYVANITKPNLLTGVAEIELIKPTPAVKYKQTYYHSYPVFPTHNSAEKYTSME

ORF Sequence: NC_005027 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005027 gi|32476407 >gi|32476407|ref|NP_869401.1| hypothetical protein-transmemb...IYPDDRPGWIDQPIVNDGKDYSLVVTAGPSGSMEEADELIGVYARGAVQSYVDELVSEQEWATEPEMIPLDIDWIRDELVVRRYEGVVQVGDEQQFEKAILIRIEPEDKKVFETAIADMKLKERLAATGIVILGGFSLLVGGSIVLGGLASRQKQPTAAA

Kinetic isotope effects in the gas phase reactions of OH and Cl with CH3Cl, CD3Cl, and 13CH3Cl

Directory of Open Access Journals (Sweden)

A. A. Gola

2005-01-01

Full Text Available The kinetic isotope effects in the reactions of CH3Cl, 13CH3Cl and CD3Cl with OH radicals and Cl atoms were studied in relative rate experiments at 298±2 K and 1013±10 mbar. The reactions were carried out in a smog chamber using long path FTIR detection and the spectroscopic data analyzed employing a non-linear least squares spectral fitting method using measured high-resolution infrared spectra as well as absorption cross sections from the HITRAN database. The reaction rates of 13CH3Cl and CD3Cl with OH and Cl were determined relative to CH3Cl as: kOH+CH3ClkOH+CH3Cl/kOH+13CH3Cl}kOH+13CH3Cl=1.059±0.008, kOH+CH3ClkOH+CH3Cl/kOH+CD3ClkOH+CD3Cl=3.9±0.4, kCl+CH3ClkCl+CH3Cl/kCl+13CH3ClkCl+13CH3Cl =1.070±0.010 and kCl+CH3ClkCl+CH3Cl/kCl+CD3ClkCl+CD3Cl=4.91±0.07. The uncertainties given are 2σ from the statistical analyses and do not include possible systematic errors. The unexpectedly large 13C kinetic isotope effect in the OH reaction of CH3Cl has important implications for the global emission inventory of CH3Cl.

Crystal structure of the coordination polymer [FeIII2{PtII(CN4}3

Directory of Open Access Journals (Sweden)

Maksym Seredyuk

2015-01-01

Full Text Available The title complex, poly[dodeca-μ-cyanido-diiron(IIItriplatinum(II], [FeIII2{PtII(CN4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN4]2− anions (point group symmetry 2/m bridging cationic [FeIIIPtII(CN4]+∞ layers extending in the bc plane. The FeII atoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtII atoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN4]+∞ layers corresponds to the length a/2 = 8.0070 (3 Å, and the separation between two neighbouring PtII atoms of the bridging [PtII(CN4]2− groups corresponds to the length of the c axis [7.5720 (2 Å]. The structure is porous with accessible voids of 390 Å3 per unit cell.

Vibrational emission analysis of the CN molecules in laser-induced breakdown spectroscopy of organic compounds

Energy Technology Data Exchange (ETDEWEB)

Fernández-Bravo, Ángel; Delgado, Tomás; Lucena, Patricia; Laserna, J. Javier, E-mail: laserna@uma.es

2013-11-01

Laser-induced breakdown spectroscopy (LIBS) of organic materials is based on the analysis of atomic and ionic emission lines and on a few molecular bands, the most important being the CN violet system and the C{sub 2} Swan system. This paper is focused in molecular emission of LIBS plasmas based on the CN (B{sup 2}Σ–X{sup 2}Σ) band, one of the strongest emissions appearing in all carbon materials when analyzed in air atmosphere. An analysis of this band with sufficient spectral resolution provides a great deal of information on the molecule, which has revealed that valuable information can be obtained from the plume chemistry and dynamics affecting the excitation mechanisms of the molecules. The vibrational emission of this molecular band has been investigated to establish the dependence of this emission on the molecular structure of the materials. The paper shows that excitation/emission phenomena of molecular species observed in the plume depend strongly on the time interval selected and on the irradiance deposited on the sample surface. Precise time resolved LIBS measurements are needed for the observation of distinctive CN emission. For the organic compounds studied, larger differences in the behavior of the vibrational emission occur at early stages after plasma ignition. Since molecular emission is generally more complex than that involving atomic emission, local plasma conditions as well as plume chemistry may induce changes in vibrational emission of molecules. As a consequence, alterations in the distribution of the emissions occur in terms of relative intensities, being sensitive to the molecular structure of every single material. - Highlights: • Vibrational emission of CN species in laser-induced plasmas has been investigated. • Distribution of vibrational emission of CN has been found to be time dependent. • Laser irradiance affects the vibrational distribution of the CN molecules. • Plume chemistry controls the excitation mechanisms of CN

Chemical Complexity in Local Diffuse and Translucent Clouds: Ubiquitous Linear C3H and CH3CN, a Detection of HC3N and an Upper Limit on the Abundance of CH2CN

Science.gov (United States)

Liszt, Harvey; Gerin, Maryvonne; Beasley, Anthony; Pety, Jerome

2018-04-01

We present Jansky Very Large Array observations of 20–37 GHz absorption lines from nearby Galactic diffuse molecular gas seen against four cosmologically distant compact radio continuum sources. The main new observational results are that l-C3H and CH3CN are ubiqitous in the local diffuse molecular interstellar medium at {\\text{}}{A}{{V}} ≲ 1, while HC3N was seen only toward B0415 at {\\text{}}{A}{{V}} > 4 mag. The linear/cyclic ratio is much larger in C3H than in C3H2 and the ratio CH3CN/HCN is enhanced compared to TMC-1, although not as much as toward the Horsehead Nebula. More consequentially, this work completes a long-term program assessing the abundances of small hydrocarbons (CH, C2H, linear and cyclic C3H and C3 {{{H}}}2, and C4H and C4H‑) and the CN-bearing species (CN, HCN, HNC, HC3N, HC5N, and CH3CN): their systematics in diffuse molecular gas are presented in detail here. We also observed but did not strongly constrain the abundances of a few oxygen-bearing species, most prominently HNCO. We set limits on the column density of CH2CN, such that the anion CH2CN‑ is only viable as a carrier of diffuse interstellar bands if the N(CH2CN)/N(CH2CN‑) abundance ratio is much smaller in this species than in any others for which the anion has been observed. We argue that complex organic molecules (COMS) are not present in clouds meeting a reasonable definition of diffuse molecular gas, i.e., {\\text{}}{A}{{V}} ≲ 1 mag. Based on observations obtained with the NRAO Jansky Very Large Array (VLA).

A Mild and Convenient Method for the Reduction of Carbonyl Compounds with NaBH4 in the Presence of Catalytic Amounts of MoCl5

International Nuclear Information System (INIS)

Zeynizadeh, Behzad; Yahyaei, Saiedeh

2003-01-01

NaBH 4 with catalytic amounts of MoCl 5 can readily reduce a variety of carbonyl compounds such as aldehydes, ketones, acyloins, α-diketones and conjugated enones to their corresponding alcohols in good to excellent yields. Reduction reactions were performed under aprotic condition in CH 3 CN at room temperature or reflux. In addition, the chemoselective reduction of aldehydes over ketones was accomplished successfully with this reducing system

Correlation between the physical parameters of the i-nc-Si absorber layer grown by 27.12 MHz plasma with the nc-Si solar cell parameters

Science.gov (United States)

Das, Debajyoti; Mondal, Praloy

2017-09-01

Growth of highly conducting nanocrystalline silicon (nc-Si) thin films of optimum crystalline volume fraction, involving dominant crystallographic preferred orientation with simultaneous low fraction of microstructures at a low substrate temperature and high growth rate, is a challenging task for its promising utilization in nc-Si solar cells. Utilizing enhanced electron density and superior ion flux densities of the high frequency (∼27.12 MHz) SiH4 plasma, improved nc-Si films have been produced by simple optimization of H2-dilution, controlling the ion damage and enhancing supply of atomic-hydrogen onto the growing surface. Single junction nc-Si p-i-n solar cells have been prepared with i-nc-Si absorber layer and optimized. The physical parameters of the absorber layer have been systematically correlated to variations of the solar cell parameters. The preferred alignment of crystallites, its contribution to the low recombination losses for conduction of charge carriers along the vertical direction, its spectroscopic correlation with the dominant growth of ultra-nanocrystalline silicon (unc-Si) component and corresponding longer wavelength absorption, especially in the neighborhood of i/n-interface region recognize scientific and technological key issues that pave the ground for imminent advancement of multi-junction silicon solar cells.

ORF Sequence: NC_005296 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005296 gi|39933242 >gi|39933242|ref|NP_945518.1| possible nicotinate-nucleotide adn...WWLVSPGNPLKDISSLREIDARVAAAQAIADDPRIQVSRLEAVIGTRYTADTLRYLRRHCPGARFVWIMGADNLAQFHRWQQWQQIAAEIPIAVIDRPPTSFRALAAPAAQRLMRMRIPNNKAATLADREPPAWVYLTGLKSLVSSTALRNPDGSWKT

ORF Sequence: NC_002162 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002162 gi|13358092 >gi|13358092|ref|NP_078366.1| cytosine-specific methyltransferase [Ureap...RILFDLQKLNQLPQFLLLENVNNMLSKQHKLDYDMWTKSLKQLGYSTCTFQLNALDYGSAQRRKRVYAISILNYDGLIDSNGNILDLEAPIFDGKQKQLKDVLKTNYK

Before and After: How has the SNO NC measurement changed things?

International Nuclear Information System (INIS)

Bahcall, John N.; Pena-Garay, Carlos; Gonzalez-Garcia, Concepcion M.

2002-01-01

We present 'Before and After' global oscillation solutions, as well as predicted 'Before and After' values and ranges for ten future solar neutrino observables (for BOREXINO, KamLAND, SNO, and a generic p-p neutrino detector). The 'Before' case includes all solar neutrino data (and some theoretical improvements) available prior to April 20, 2002 and the 'After' case includes, in addition, the new SNO data on the CC, NC, and day-night asymmetry. We have performed global analyses using the full SNO day-night energy spectrum and, alternatively, using just the SNO NC and CC rates and the day-night asymmetry. The LMA solution is the only currently allowed MSW oscillation solution at ∼ 99% CL. The LOW solution is allowed only at more than 2.5σ, SMA is now excluded at 3.7σ or 4.7σ depending upon analysis strategy, and pure sterile oscillations are excluded at more than 4.7σ. Small mixing angles are 'out' (pure sterile is 'way out'); MSW with large mixing angles is definitely 'in'. Vacuum oscillations are allowed at 3σ, but not at 2σ. Precise maximal mixing is excluded at 3.2σ for MSW solutions and at more than 2.8σ for vacuum solutions. Most of the predicted values for future observables for the BOREXINO, KamLAND, and future SNO measurements are changed only by minor amounts by the inclusion of the recent SNO data. In order to test the robustness of the allowed neutrino oscillation regions that are inferred from the measurements and the predicted values for future solar neutrino observables, we have carried out calculations using a variety of strategies for analyzing the SNO and other experimental data. (author)

ORF Sequence: NC_002162 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002162 gi|13358063 >gi|13358063|ref|NP_078337.1| hypothetical protein UU500 [Ureap...MGNHTWDHPDIFEILTTKTNIIRPYNIINTHQYHLVGSGSRVFYCNKKMIRVTNLLGNSIDMKGLQTNPFESLDKIIAFNEAPIHIVDFHAETTSEKNALFLDFKSKL

Iodine capture by Hofmann-type clathrate Ni(II)(pz)[Ni(II)(CN)_4

International Nuclear Information System (INIS)

Massasso, Giovanni; Long, Jerome; Haines, Julien; Devautour-Vinot, Sabine; Maurin, Guillaume; Larionova, Joulia; Guerin, Christian; Guari, Yannick; Grandjean, Agnes; Onida, Barbara; Donnadieu, Bruno

2014-01-01

The thermally stable Hofmann-type clathrate framework Ni(II)(pz)[Ni(II)(CN)_4] (pz = pyrazine) was investigated for the efficient and reversible sorption of iodine (I_2) in the gaseous phase and in solution with a maximum adsorption capacity of 1 mol of I_2 per 1 mol of Ni(II)pz)[Ni(II)(CN)_4] in solution. (authors)

2D water layer enclathrated between Mn(II)-Ni(CN)4 coordination frameworks

International Nuclear Information System (INIS)

Ray, Ambarish; Bhowmick, Indrani; Sheldrick, William S.; Jana, Atish Dipankar; Ali, Mahammed

2009-01-01

A [Ni(CN) 4 ] 2- based two-dimensional Mn(II) coordination polymer {Mn(H 2 O) 2 [NiCN] 4 .4H 2 O}, in which the coordination layers are stacked on top of each other sandwiching 2D water layer of boat-shaped hexagonal water clusters has been synthesized. The complex exhibits high thermal decomposition temperature and reversible water absorption, which were clearly demonstrated by thermal and PXRD studies on the parent and rehydrated complex after dehydration. - Abstract: A coordination polymer, {Mn(H 2 O) 2 [NiCN] 4 .4H 2 O} n , showed that the coordination layers are stacked on top of each other sandwiching 2D ice layer of boat-shaped hexagonal water clusters . Display Omitted

A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [99mTc(CO)3]+ or [186/188Re(CO)3]+ in CN containing biomolecules

International Nuclear Information System (INIS)

Safi, Benasser; Mertens, John; Kersemans, Ken; Geerlings, Paul

2008-01-01

Introduction: It was determined recently that [ 99m Tc(OH 2 ) 2 (X - )(CO 3 ) 3 ] could strongly bind to the CN group, allowing direct labeling of CN in vitamin B 12 despite the presence of a benzimidazole group. The aim of this paper was to perform a critical study of this potentiality, coupling quantum chemical calculations to experimental evidence. Methods: Computational methods: Within the density functional theory calculations, the 6-31+G** basis set (C, H, O, N atoms) and the LANL2DZ basis set (Tc,Re) were used. Stability calculations of the [RCNM(CO) 3 ] + ) (M=Tc,Re) complexes were performed with the Gaussian 03 suite of programs, while for the evaluation of relative stability substitution reactions were used. Radiochemistry: Vitamin B 12 , 4-hydroxy-benzylcyanide and 4-methoxy-benzonitrile were labeled at 100 deg. C during 30 min. High-performance liquid chromatography analysis was performed using radioactive and UV detection. Results: Computational methods: The influence of different ligands on the stability yielded a sequence: imidazole>tBuCN>NH 3 ∼CH 3 CN>HCN (mimicking the best CoCN)>H 2 O. The transmetalation reaction indicates that all ligands prefer Re to Tc. The preference for the nitrogen atom of imidazole to the cyanide nitrogen atom for complex formation with [Tc(CO) 3 (H 2 O) 3 ] + is interpreted in terms of the hard and soft acid and base properties principle. Radiochemistry: 4-Hydroxy-benzylcyanide and 4-methoxy-benzonitrile did not show any labeling. An excess of acetonitrile did not inhibit the labeling of vitamin B 12 as expected if the CN group should be involved, indicating that the labeling occurs on a stronger complexing group present like benzimidazole. Conclusion: Both theory and experiments prove that [CN-Tc(CO) 3 (H 2 O) (2-x) L x ] + complexes are weak and that in vitamin B 12 most probably the benzimidazole group is involved

ORF Sequence: NC_005027 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005027 gi|32475512 >gi|32475512|ref|NP_868506.1| hypothetical protein-signal peptide and transme...VLVGLLLPAVQAAREAARRMSCSNNIAQLTLATHNYEFSMEHLPPGTTNPTGPIVNTPNGEHISFLVRLLPYIEQQGTADDFDLTASVYAPANAKVRAYQISAFLCPS

ORF Sequence: NC_003280 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003280 gi|17533935 >gi|17533935|ref|NP_496777.1| ZYXin (zyx-1) [Caenorhabditis elegans] MNQIFHVDC...FAPRCALCSKPIVPQDGEKESVRVVAMDKSFHVDCYKCEDCGMQLSSKLEGQGCYPIDNHLLCKTCNGNRLRVVSST

Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

Energy Technology Data Exchange (ETDEWEB)

Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

2009-12-23

Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

Influence of trimethylsilane flow on the microstructure, mechanical and tribological properties of CrSiCN coatings in water lubrication

International Nuclear Information System (INIS)

Wu, Zhiwei; Zhou, Fei; Wang, Qianzhi; Zhou, Zhifeng; Yan, Jiwang; Li, Lawrence Kwok-Yan

2015-01-01

Highlights: • CrSiCN coatings with different Si and C contents were deposited. • CrSiCN coatings consisted of Cr(C,N) nanocrystallites and amorphous phases such as a-Si_3N_4(SiC, SiCN) and a-C(a-CN_x). • CrSiCN coatings exhibited the highest hardness of 21.3 GPa at the TMS flow of 10 sccm. • CrSiCN coatings deposited at the TMS flow of 10 sccm possessed the excellent tribological properties in water. • The wear mechanism changed from tribochemical wear to mechanical wear when the TMS flow increased. - Abstract: CrSiCN coatings with different silicon and carbon contents were deposited on silicon wafers and 316L stainless steels using unbalanced magnetron sputtering via adjusting trimethylsilane (TMS) flow, and their microstructure and mechanical properties were characterized by X-ray diffraction (XRD), scanning electron microscopy(SEM), X-ray photoelectrons spectroscopy(XPS) and nano-indenter, respectively. The tribological properties of CrSiCN coatings sliding against SiC balls in water were investigated using ball-on-disk tribometer. The results showed that the CrSiCN coatings had fine composite microstructure consisting of nanocrystallites of Cr(C, N) crystal and amorphous phases such as a-Si_3N_4 and a-C(a-CN_x). The typical columnar structures changed from fine cluster to coarse ones when the Si content was beyond 3.4 at.%. With an increase in the TMS flow, the hardness and Young's modulus of Corsican coatings all first increased, and then rapidly decreased, but the compressive stress in the coatings varied in the range of 2.8–4.8 GPa. When the TMS flow was 10 sccm, the CrSiCN coatings exhibited the highest hardness of 21.3 GPa and the lowest friction coefficient (0.11) and wear rate (8.4 × 10"−"8 mm"3/N m). But when the TMS flow was beyond 15 sccm, the tribological properties of CrSiCN coatings in water became poor.

A Novel Type of Non-coding RNA, nc886, Implicated in Tumor Sensing and Suppression

Directory of Open Access Journals (Sweden)

Yong Sun Lee

2015-06-01

Full Text Available nc886 (=vtRNA2-1, pre-miR-886, or CBL3 is a newly identified non-coding RNA (ncRNA that represses the activity of protein kinase R (PKR. nc886 is transcribed by RNA polymerase III (Pol III and is intriguingly the first case of a Pol III gene whose expression is silenced by CpG DNA hypermethylation in several types of cancer. PKR is a sensor protein that recognizes evading viruses and induces apoptosis to eliminate infected cells. Like viral infection, nc886 silencing activates PKR and induces apoptosis. Thus, the significance of the nc886:PKR pathway in cancer is to sense and eliminate pre-malignant cells, which is analogous to PKR's role in cellular innate immunity. Beyond this tumor sensing role, nc886 plays a putative tumor suppressor role as supported by experimental evidence. Collectively, nc886 provides a novel example how epigenetic silencing of a ncRNA contributes to tumorigenesis by controlling the activity of its protein ligand.

76 FR 29645 - Safety Zone, Newport River; Morehead City, NC

Science.gov (United States)

2011-05-23

...-AA00 Safety Zone, Newport River; Morehead City, NC AGENCY: Coast Guard, DHS. ACTION: Temporary final... the main span US 70/Morehead City--Newport River high rise bridge in Carteret County, NC. This safety... Zone, Newport River; Morehead City, North Carolina in the Federal Register (33 FR 165). We received no...

76 FR 18669 - Safety Zone, Newport River; Morehead City, NC

Science.gov (United States)

2011-04-05

...-AA00 Safety Zone, Newport River; Morehead City, NC AGENCY: Coast Guard, DHS. ACTION: Notice of proposed... River under the main span US 70/Morehead City--Newport River high rise bridge in Carteret County, NC... Newport River at Morehead City, North Carolina. The contract provides for cleaning, painting, and steel...

76 FR 38018 - Safety Zone, Newport River; Morehead City, NC

Science.gov (United States)

2011-06-29

...-AA00 Safety Zone, Newport River; Morehead City, NC AGENCY: Coast Guard, DHS. ACTION: Temporary final... the main span US 70/Morehead City-Newport River high rise bridge in Carteret County, NC. This safety...) entitled Safety Zone, Newport River; Morehead City, North Carolina in the Federal Register (33 FR 165). We...

76 FR 23227 - Safety Zone, Newport River; Morehead City, NC

Science.gov (United States)

2011-04-26

...-AA00 Safety Zone, Newport River; Morehead City, NC AGENCY: Coast Guard, DHS. ACTION: Notice of proposed... River under the main span US 70/Morehead City--Newport River high rise bridge in Carteret County, NC... Newport River at Morehead City, North Carolina. The contract provides for cleaning, painting, and steel...

Polymer-derived Ceramic SiCN-MoS2 Nanosheet Composite for Lithium Ion Battery Anodes

Science.gov (United States)

Bhandavat, Romil; Singh, Gurpreet

2012-02-01

We demonstrate synthesis of a novel SiCN-MoS2 nanosheet composite for use as Li-ion battery anode for high power applications. The nanosheet composite was prepared by thermal decomposition of polysilazane (SiCN precursor) on exfoliated MoS2 surfaces. The morphology and chemical structure was studied using a range of spectroscopy techniques that revealed a sidewall functionalization of exfoliated MoS2 by the polymeric precursor. The thermodynamic stability of SiCN-MoS2 nanosheets was also confirmed by thermo-gravimetric analysis (1000 degree C). Batteries assembled using MoS2-SiCN nanosheets as active anode material showed that lithium can be reversibly intercalated in the voltage range of 0-2.5 V with first cycle discharge capacity of 620 mAh/g at a current density of 100 mA/g.

Application of GIS-based SCS-CN method in West Bank catchments, Palestine

OpenAIRE

Sameer Shadeed; Mohammad Almasri

2010-01-01

Among the most basic challenges of hydrology are the prediction and quantification of catchment surface runoff. The runoff curve number (CN) is a key factor in determining runoff in the SCS (Soil Conservation Service) based hydrologic modeling method. The traditional SCS-CN method for calculating the composite curve number is very tedious and consumes a major portion of the hydrologic modeling time. Therefore, geographic information systems (GIS) are now being used in combination with the SCS...

Friction and wear of TiCN coatings deposited by filtered arc

International Nuclear Information System (INIS)

Huang, S.W.; Ng, K.; Samandi, M.

1998-01-01

A series of macroparticle-free TiN, TiCN and TiC coatings were deposited on 316 austenitic stainless steel using a titanium target in a filtered arc deposition system and reactive mixtures of CH4 and N2 gases. The microhardness of the coatings were measured by using an Ultra Microhardness Indentation System (UMIS-2000). The wear and friction of the coatings were assessed under controlled test conditions in a pin-on-disc tribometer. The results show a significant increase in microhardness and wear resistance as the CH4 :N2 gas flow rate ratio is increased. At lower load (14N), all coatings exhibited low friction and wear. At higher load (25N), the higher carbon content TiCN and TiC coatings showed a much lower friction and wear compared to TiN and low carbon TiCN. The topographical examination of coatings and worn surfaces established that the self-lubricating effect of the carbonaceous particles condensed from the plasma during the deposition was primarily responsible for the low friction and wear regime. (authors)

ORF Sequence: NC_003279 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003279 gi|17507795 >gi|17507795|ref|NP_493043.1| putative protein, with at least 2 transme...YLNIQIADETTDLPVSIDRANVDMRIYRAFEMSMEKDIISLSTSNTSHAEISTPKSRKKKSRKLGLKNLEEVINSKYNSCQKQDNSMSIQ

Growth feature of ionic nitrogen doped CN_x bilayer films with Ti and TiN interlayer by pulse cathode arc discharge

International Nuclear Information System (INIS)

Zhou, Bing; Liu, Zhubo; Piliptsou, D.G.; Rogachev, A.V.; Yu, Shengwang; Wu, Yanxia; Tang, Bin; Rudenkov, A.S.

2016-01-01

Graphical abstract: - Highlights: • Ti/ and TiN/CN_x (N"+) bilayers are prepared at various frequencies by pulse cathode arc. • Ti interlayer facilitates the introduction of N atoms into the CN_x (N"+) films. • The most N-sp"2C bonds (mainly graphite-like N) present in the TiN/CN_x (N"+, 3 Hz) film. • Ti/CN_x (N"+, 3 Hz) bilayer possesses small size and disordering of Csp"2 clusters. • The higher hardness and the lower stress presents in the TiN/CN_x (N"+, 10 Hz) bilayer. - Abstract: Using nano-scaled Ti and TiN as interlayer, ionic nitrogen doped carbon (CN_x (N"+)) bilayer films were prepared at various pulse frequencies by cathode arc technique. Elemental distribution at the interface, bonding compositions, microstructure, and mechanical properties of CN_x (N"+) bilayer films were investigated in dependence of interlayer and pulse frequency by Auger electron spectroscopy, X-ray photoelectron spectroscopy, Raman spectroscopy, nanoindentation, and surface profilometer. The results showed that the diffusion extent of C atoms at the interface of CN_x (N"+) bilayers is higher than for the α-C and CN_x (N_2) bilayers with the same interlayer. Nitrogen atoms could diffuse throughout the pre-deposited Ti and TiN layers into the Si substrate for all CN_x (N"+) bilayers. Ti interlayer facilitates the introduction of N atoms into the CN_x (N"+) films and exhibits a certain catalytic effect on the coordination of N atoms with sp"2- and sp"3-C binding. More nitrogenated and intense CN bonding configurations (mainly graphite-like N) form in the TiN/CN_x (N"+) bilayer. Ti/CN_x (N"+) bilayer prepared at low frequency possesses small size and disordering of Csp"2 clusters but TiN interlayer weakens the formation of Csp"2 bonding and increases the disordering of Csp"2 clusters in the films. The residual stress in the bilayer is lower than for CN_x (N"+) monolayer. The higher hardness and the lower residual stress are present in the TiN/CN_x (N"+, 10 Hz) bilayer.

CN emission spectroscopy study of carbon plasma in nitrogen environment

International Nuclear Information System (INIS)

Abdelli-Messaci, S.; Kerdja, T.; Bendib, A.; Malek, S.

2005-01-01

Spectroscopic emission diagnostics of a carbon plasma created by an excimer KrF laser pulse at three laser fluences (12, 25 and 32 J/cm 2 ) is performed under nitrogen ambient at pressures of 0.5 and 1 mbar. By following the time evolution of the radical CN spectral emission profiles, we notice, at a certain distance from the target surface, the existence of twin peaks for the time of flight distribution. This double structure depends on laser fluence and gas pressure parameters. The first peak moves forward in relation with the plasma expansion whereas the second peak moves backward and it is attributed to CN species undergoing oscillations or reflected shocks

Effects of carboxylic acids on nC60 aggregate formation

International Nuclear Information System (INIS)

Chang Xiaojun; Vikesland, Peter J.

2009-01-01

The discovery that negatively charged aggregates of C 60 fullerene (nC 60 ) are stable in water has raised concerns regarding the potential environmental and health effects of these aggregates. In this work, we show that nC 60 aggregates produced by extended mixing in the presence of environmentally relevant carboxylic acids (acetic acid, tartaric acid, citric acid) have surface charge and morphologic properties that differ from those produced by extended mixing in water alone. In general, aggregates formed in the presence of these acids have a more negative surface charge and are more homogeneous than those produced in water alone. Carboxylic acid identity, solution pH, and sodium ion concentration, which are all intricately coupled, play an important role in setting the measured surface charge. Comparisons between particle sizes determined by analysis of TEM images and those obtained by dynamic light scattering (DLS) indicate that DLS results require careful evaluation when used to describe nC 60 aggregates. - The effects of carboxylic acids on the formation of nC 60 aggregates are discussed

ORF Sequence: NC_003909 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003909 gi|42782207 >gi|42782207|ref|NP_979454.1| BclA protein [Bacillus cereus ATCC 10987] MANRLNFTGP...LGCCGISGKTGPTGPTGPTGVTGSTGPTGPTGATGFTGPTGPTGATGPTGATGPTGATGPTGATGPTGATGPTGPTGPTGATGFTGPTGPTGATGPTGATGPTGATGP...TGATGPTGATGPTGATGPTGATGPTGATGPTGATGPTGATGFTGPTGPTGATGPTGATGPTGATGPTGATGPTGATGPTGATGSTGP

ORF Sequence: NC_003070 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003070 gi|18407972 >gi|18407972|ref|NP_564823.1| no apical meristem (NAM) famil...y protein [Arabidopsis thaliana] MQAEEIICRVSDEEIIENYLRPKINGETSSIPRYVVELAEELYTVEPWLLPRQTAPILNPGEWFYFGKRNRKYSN

Characterization and properties of acetylated nanocrystalline cellulose (aNC) reinforced polylactic acid (PLA) polymer

Science.gov (United States)

Kasa, Siti Norbaya; Omar, Mohd Firdaus; Ismail, Ismarul Nizam

2017-12-01

Nanocrystalline cellulose (NCC) was synthesized from banana stem through strong acid hydrolysis with measured length of approximately 287.0 ± 56.4 nm and diameter of 26.6 ± 4.8 nm. Modification of NCC was carried by acetylation reaction in order to increase the compatibility during reinforcement with polylactic acid (PLA) polymer. The reinforcing effect towards morphology, crystallinity, mechanical and thermal properties of bio-nanocomposites was investigated. Scanning Electron Microscope (SEM) micrograph reveals the uniform dispersion achieved at 1 %, 3 % and 5% aNC loading while agglomeration was found at 7 % aNC loading. Disappearance of crystallinity peak at 2θ = 22.7⁰ for low aNC loading during elemental analysis using X-Ray Diffraction (XRD) indicates the proper dispersion of aNC in PLA polymer. From the tensile test, 1 % aNC loading gives the highest mechanical properties of bio-nanocomposite film with 82.71 %, 118.7 % and 24.18 % increment in tensile strength, tensile modulus and elongation at break. However, 7 % aNC loading gives the highest increment in TGA of aNC-PLA nanocomposites which is from 310 °C to 320 °C.

Lithium cyanide supported by O- and N-donors

Energy Technology Data Exchange (ETDEWEB)

Budanow, Alexandra; Franz, Klaus-Dieter; Vitze, Hannes; Fink, Lothar; Alig, Edith; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram [Institut fuer Anorganische Chemie, Goethe-Universitaet Frankfurt, Max-von-Laue-Str. 7, 60438, Frankfurt (Germany)

2017-02-15

A series of adducts of LiCN, namely [Li(Me{sub 2}CO{sub 3})CN], [Li(Et{sub 2}CO{sub 3})CN], and [Li(NMP)CN] (NMP = N-methyl-2-pyrrolidone) were prepared by treatment of solvent-free LiCN with the appropriate donor. The starting material for these approaches, donor-free LiCN, was quantitatively prepared from Me{sub 3}SiCN and Li[Me] in diethyl ether at 0 C. Alternatively, [Li(NMP)CN] was synthesized by metathesis reaction of LiCl with NaCN in the presence of stoichiometric amounts of NMP. Although [Li(Me{sub 2}CO{sub 3})CN] and [Li(Et{sub 2}CO{sub 3})CN] are water-sensitive compounds and decompose at the exposure to air, [Li(NMP)CN] is stable in air, even at elevated temperatures. The thermal stability of [Li(NMP)CN] was proven by differential thermal analysis (DTA). [Li(NMP)CN] shows thermal stability up to temperatures of about 132 C. To evaluate the cyanation ability the reactions of 1-bromooctane and 3-bromocyclohexene with unsupported LiCN, [Li(NMP)CN], and a mixture of NaCN/LiCl/NMP were investigated. We found that [Li(NMP)CN] as well as LiCl/NaCN/NMP are efficient cyanation reagents comparable to the expensive and air-sensitive, donor-free LiCN. A product of the chloride-cyanide-bromide exchange could be isolated and structurally characterized by X-ray diffraction. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

High 36Cl/Cl ratios in Chernobyl groundwater

International Nuclear Information System (INIS)

Roux, Céline; Le Gal La Salle, Corinne; Simonucci, Caroline; Van Meir, Nathalie; Fifield, L. Keith; Diez, Olivier; Bassot, Sylvain

2014-01-01

After the explosion of the Chernobyl Nuclear Power Plant in April 1986, contaminated material was buried in shallow trenches within the exclusion zone. A 90 Sr plume was evidenced downgradient of one of these trenches, trench T22. Due to its conservative properties, 36 Cl is investigated here as a potential tracer to determine the maximal extent of the contamination plume from the trench in groundwater. 36 Cl/Cl ratios measured in groundwater, trench soil water and leaf leachates are 1–5 orders of magnitude higher than the theoretical natural 36 Cl/Cl ratio. This contamination occurred after the Chernobyl explosion and currently persists. Trench T22 acts as an obvious modern point source of 36 Cl, however other sources have to be involved to explain such contamination. 36 Cl contamination of groundwater can be explained by dilution of trench soil water by uncontaminated water (rainwater or deep groundwater). With a plume extending further than that of 90 Sr, radionuclide which is impacted by retention and decay processes, 36 Cl can be considered as a suitable tracer of contamination from the trench in groundwater provided that modern release processes of 36 Cl from trench soil are better characterized. - Highlights: • High 36 Cl/Cl ratios measured in the Chernobyl Pilot Site groundwater. • Trench T22 acts as a modern source of groundwater contamination by 36 Cl but other sources are involved. • Contamination results from dilution of a contaminated “T22” soil water with rainwater. • Processes involved in the modern release need to be investigated

Fine-structure resolved rotational transitions and database for CN+H2 collisions

Science.gov (United States)

Burton, Hannah; Mysliwiec, Ryan; Forrey, Robert C.; Yang, B. H.; Stancil, P. C.; Balakrishnan, N.

2018-06-01

Cross sections and rate coefficients for CN+H2 collisions are calculated using the coupled states (CS) approximation. The calculations are benchmarked against more accurate close-coupling (CC) calculations for transitions between low-lying rotational states. Comparisons are made between the two formulations for collision energies greater than 10 cm-1. The CS approximation is used to construct a database which includes highly excited rotational states that are beyond the practical limitations of the CC method. The database includes fine-structure resolved rotational quenching transitions for v = 0 and j ≤ 40, where v and j are the vibrational and rotational quantum numbers of the initial state of the CN molecule. Rate coefficients are computed for both para-H2 and ortho-H2 colliders. The results are shown to be in good agreement with previous calculations, however, the rates are substantially different from mass-scaled CN+He rates that are often used in astrophysical models.

Feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify iron-cyanide (Fe-CN) complexes in soil

Science.gov (United States)

Sut-Lohmann, Magdalena; Raab, Thomas

2017-04-01

Contaminated sites create a significant risk to human health, by poisoning drinking water, soil, air and as a consequence food. Continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze considerable amount of samples. At the present time quantitative determination of Fe-CN concentration in soil usually requires a time consuming two step process: digestion of the sample (e.g., micro distillation system) and its analytical detection performed, e.g., by automated spectrophotometrical flow injection analysis (FIA). In order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify the Fe-CN complexes in soil matrix, 42 soil samples were collected (8 to 12.520 mg kg-1CN) indicating single symmetrical CN band in the range 2092 - 2084 cm-1. Partial least squares (PLS) calibration-validation model revealed IR response to CNtot exceeding 1268 mg kg-1 (limit of detection, LOD). Subsequently, leave-one-out cross-validation (LOO-CV) was performed on soil samples containing low CNtot (900 mg kg-1 resulted in LOD equal to 3494 mg kg-1. Our results indicate that spectroscopic data in combination with PLS statistics can efficiently be used to predict Fe-CN concentrations in soil. We conclude that the protocol applied in this study can strongly reduce the time and costs essential for the spatial and vertical screening of the site affected by complexed Fe-CN.

Phonons and colossal thermal expansion behavior of Ag3Co(CN)6 and Ag3Fe(CN)6.

Science.gov (United States)

Mittal, R; Zbiri, M; Schober, H; Achary, S N; Tyagi, A K; Chaplot, S L

2012-12-19

Recently colossal volume thermal expansion has been observed in the framework compounds Ag(3)Co(CN)(6) and Ag(3)Fe(CN)(6). We have measured phonon spectra using neutron time-of-flight spectroscopy as a function of temperature and pressure. Ab initio calculations were carried out for the sake of analysis and interpretation. Bonding is found to be very similar in the two compounds. At ambient pressure, modes in the intermediate frequency part of the vibrational spectra in the Co compound are shifted slightly to higher energies as compared to the Fe compound. The temperature dependence of the phonon spectra gives evidence for a large explicit anharmonic contribution to the total anharmonicity for low-energy modes below 5 meV. We have found that modes are mainly affected by the change in size of the unit cell, which in turn changes the bond lengths and vibrational frequencies. Thermal expansion has been calculated via the volume dependence of phonon spectra. Our analysis indicates that Ag phonon modes within the energy range 2-5 meV are strongly anharmonic and major contributors to thermal expansion in both systems. The application of pressure hardens the low-energy part of the phonon spectra involving Ag vibrations and confirms the highly anharmonic nature of these modes.

Design and Investigation of SST/nc-Si:H/M (M = Ag, Au, Ni and M/nc-Si:H/M Multifunctional Devices

Directory of Open Access Journals (Sweden)

A. F. Qasrawi

2013-01-01

Full Text Available Hydrogenated nanocrystalline Silicon thin films prepared by the very high frequency chemical vapor deposition technique (VHF-CVD on stainless steel (SST substrates are used to design Schottky point contact barriers for the purpose of solar energy conversion and passive electronic component applications. In this process, the contact performance between SST and M (M = Ag, Au, and Ni and between Ag, Au, and Ni electrodes was characterized by means of current-voltage, capacitance-voltage, and light intensity dependence of short circuit ( current and open circuit voltage ( of the contacts. Particularly, the devices ideality factors, barrier heights were evaluated by the Schottky method and compared to the Cheung's. Best Schottky device performance with lowest ideality factor suitable for electronic applications was observed in the SST/nc-Si:H/Ag structure. This device reflects a of 229 mV with an of 1.6 mA/cm2 under an illumination intensity of ~40 klux. On the other hand, the highest being 9.0 mA/cm2 and the of 53.1 mV were observed for Ni/nc-Si:H/Au structure. As these voltages represent the maximum biasing voltage for some of the designed devices, the SST/nc-Si:H/M and M/nc-Si:H/M can be regarded as multifunctional self-energy that provided electronic devices suitable for active or passive applications.

Sodium and chloride accumulation in leaf, woody, and root tissue of Populus after irrigation with landfill leachate

International Nuclear Information System (INIS)

Zalesny, Jill A.; Zalesny, Ronald S.; Wiese, Adam H.; Sexton, Bart; Hall, Richard B.

2008-01-01

The response of Populus to irrigation sources containing elevated levels of sodium (Na + ) and chloride (Cl - ) is poorly understood. We irrigated eight Populus clones with fertilized well water (control) (N, P, K) or municipal solid waste landfill leachate weekly during 2005 and 2006 in Rhinelander, Wisconsin, USA (45.6 deg. N, 89.4 deg. W). During August 2006, we tested for differences in total Na + and Cl - concentration in preplanting and harvest soils, and in leaf, woody (stems + branches), and root tissue. The leachate-irrigated soils at harvest had the greatest Na + and Cl - levels. Genotypes exhibited elevated total tree Cl - concentration and increased biomass (clones NC14104, NM2, NM6), elevated Cl - and decreased biomass (NC14018, NC14106, DM115), or mid levels of Cl - and biomass (NC13460, DN5). Leachate tissue concentrations were 17 (Na + ) and four (Cl - ) times greater than water. Sodium and Cl - levels were greatest in roots and leaves, respectively. - Sodium and chloride supplied via landfill leachate irrigation is accumulated at high concentrations in tissues of Populus

Density functional study of electronic, magnetic and hyperfine properties of [M(CN)5 NO]2- (M=Fe, Ru) and reduction products

International Nuclear Information System (INIS)

Gomez, J.A.; Guenzburger, Diana

1999-06-01

The Discrete Variational method (DVM) in density functional theory was employed to investigate the electronic structure of the complexes [Fe(CN) 5 NO] 2- (Nitroprusside), [Fe(CN) 5 NO] 3- , [Fe(CN) 4 NO] 2- , [Ru(CN) 5 NO] 2- and [Ru(CN) 5 NO] 3- . Total energy calculations revealed that in pentacyano nitrosyl ferrate (I) and pentacyano nitrosyl ruthenate (I), which are paramagnetic ions containing one unpaired electron, the M-N-O angle is bent, having values of 152.5 deg and 144 deg, respectively. From self-consistent spin-polarized calculations, the distribution of unpaired electron in the paramagnetic complexes [Fe(CN) 5 NO] 3, [Fe(CN) 4 NO] 2- and [Ru(CN) 5 NO] 3- was obtained as well as spin-density maps. A long-standing controversy regarding the configuration of [Fe(CN) 5 NO] 3- was elucidated, and it was found that the unpaired electron in this complex is in an orbital primarily localized on π * (NO). Moessbauer quadrupole splittings on Fe and Ru were derived from calculations of the electric-field gradients. Magnetic hyperfine coupling constants on No of the NO ligand were also obtained for the paramagnetic complexes. (author)

EnviroAtlas - Durham, NC - Demo (Parent)

Data.gov (United States)

U.S. Environmental Protection Agency — This EnviroAtlas dataset is the base layer for the Durham, NC EnviroAtlas Area. The block groups are from the US Census Bureau and are included/excluded based on...

ORF Sequence: NC_004307 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available se/invertase); possible inulinase [Bifidobacterium longum NCC2705] MTDFTPETPVLTPIHDHAAELAKAEAGVAEMAANRNNRWYP... NC_004307 gi|23464731 >gi|23464731|ref|NP_695334.1| beta-fructofuranosidase (sucra

ORF Sequence: NC_005363 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005363 gi|42523756 >gi|42523756|ref|NP_969136.1| membrane protein necessary for nodulation/competitivene...ss [Bdellovibrio bacteriovorus HD100] MKSLMLILFVSLLSVVAKADCTTAITINEAISASTSDYLERAEKR

ORF Sequence: NC_003078 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available etitiveness [Sinorhizobium meliloti 1021] MQLSACARRREAVRYRRRMARILILLFSLLSAFAFPVTPVP... NC_003078 gi|16264863 >gi|16264863|ref|NP_437655.1| probable membrane protein necessary for nodulation comp

ORF Sequence: NC_002678 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002678 gi|13471138 >gi|13471138|ref|NP_102707.1| transcriptional regulatory protein, nodulation competit...iveness determinant [Mesorhizobium loti MAFF303099] MTNESDTRSAELAELTADIVSAYVSNNPLPV

ORF Sequence: NC_003047 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003047 gi|15964332 >gi|15964332|ref|NP_384685.1| PROBABLE PYRAZINAMIDASE/NICOTINAMIDAS...E (INCLUDES: PYRAZINAMIDASE, NICOTINAMIDASE) PROTEIN [Sinorhizobium meliloti 1021] MADAARPDLREAMADEAL

ORF Sequence: NC_002162 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002162 gi|13358146 >gi|13358146|ref|NP_078420.1| transcription antitermination factor [Ureap...lasma parvum serovar 3 str. ATCC 700970] MAYKIKDLDSKLLSDLKIDFNHRHQWYIVTVVSGNEQKVIENIKDKLNGYGYGDKLSDLKIIKEKIKEVKIYEPSEAP

Raman spectra of the system TeCl4-SbCl5

International Nuclear Information System (INIS)

Brockner, W.; Demiray, A.F.

1980-01-01

Raman spectra of the solid and molten TeCl 4 . SbCl 5 addition compound and of some TeCl 4 -SbCl 5 mixtures have been recorded. Two modifications of the crystalline TeCl 4 -SbCl 5 compound have been found. The structure of the melt can be described by the equilibrium TeCl 3 + + SbCl 6 - reversible TeCl 4 + SbCl 5 lying on the left side. Mixtures with other stoichiometry contain the 1:1 adduct only and excess TeCl 4 or SbCl 5 , respectively. Such melts are built up by the ionic species TeCl 3 + and SbCl 6 - also and TeCl 4 or SbCl 5 according to stoichiometry. (author)

A hydrochemical investigation using 36Cl/Cl in groundwaters

International Nuclear Information System (INIS)

Metcalfe, Richard

2003-03-01

This report describes 36 Cl studies which were undertaken during the H14 financial year. The results of this study suggest that, if 36 Cl data can be obtained for groundwaters at spatial scales comparable with, or smaller than, the spatial scales of the variability in in-situ 36 Cl production in the host rock, the data could potentially be useful for interpreting groundwater origins and flow paths. Four groundwater samples and one onsen water sample from the Tono area were collected for 36 Cl analysis. The groundwater samples came from boreholes MSB-2 and MSB-4 in the MIU Construction Site, whereas the onsen water was taken from Oniiwa Onsen (Komatsuya). In addition, a single sample from borehole HDB-1 at Horonobe was also sent for analysis. Supporting rock chemical data and wireline geophysical data have also been evaluated, to provide a basis for interpreting the 36 Cl data. Rock analyses and spectral gamma wireline data were used to estimate theoretical limiting equilibrium 36 Cl/Cl ratios in the rock. These have been compared with the compositions measured for groundwater samples, enabling a judgement to be made as to: whether the waters have resided for long enough in the rock to approach equilibrium (> c. 1.5 Ma); the spatial scales of mixing of the dissolved Cl in the groundwater. The estimates of in-situ 36 Cl/Cl production made with the newly available rock chemical data and wireline geophysical data have enabled 36 Cl data obtained previously from MIU-4, KNA-6 and DH-12 during H12 and H13 to be interpreted more confidently. In particular it seems that 36 Cl/Cl ratios measured previously in groundwater samples from MIU-4 are not in equilibrium with in-situ production in the granite. Furthermore, they imply that the Cl is homogenised, at least on the scale of the upper half of borehole. In contrast, the data from DH-12 imply that the Cl could be in equilibrium with in-situ 36 Cl production in the granite, which would be consistent with a relatively long

Synthesis and characterization of a polyborosilazane/Cp2ZrCl2 hybrid precursor for the Si-B-C-N-Zr multinary ceramic.

Science.gov (United States)

Long, Xin; Shao, Changwei; Wang, Hao; Wang, Jun

2015-09-21

A novel zirconium-contained polyborosilazane (PBSZ-Zr) was synthesized by chemical modification of a liquid polyborosilazane (LPBSZ) with Cp2ZrCl2. A Si-B-C-N-Zr multinary ceramic was prepared via pyrolysis of PBSZ-Zr. The properties and the ceramization process of PBSZ-Zr, as well as the microstructural development and properties of the derived SiBCN-Zr ceramic, were well studied. The active Si-H and N-H groups in LPBSZ react with Zr-Cl in Cp2ZrCl2 to form PBSZ-Zr polymers. The Zr content of the SiBCN-Zr ceramic was 3.39 wt% when the weight ratio of Cp2ZrCl2 to LPBSZ was 20 : 100. The SiBCN-Zr ceramic remains amorphous when pyrolyzed below 1600 °C, but the crystal phases of Zr2CN, ZrC, BN, SiC, and Si3N4 were detected from a 1600 °C treated sample. Due to the low activity of free carbon at the interface of the SiBCN-Zr ceramic, the oxidation resistance of the SiBCN-Zr ceramic under air was improved compared with the SiBCN ceramic.

77 FR 57063 - Safety Zone, Atlantic Intracoastal Waterway; Emerald Isle, NC

Science.gov (United States)

2012-09-17

... 1625-AA00 Safety Zone, Atlantic Intracoastal Waterway; Emerald Isle, NC AGENCY: Coast Guard, DHS... zone on the waters of the Atlantic Intracoastal Waterway at Emerald Isle, North Carolina. The safety... NC 58 Fixed Bridge crossing the Atlantic Intracoastal Waterway, mile 226, at Emerald Isle, North...

77 FR 64906 - Safety Zone, Atlantic Intracoastal Waterway; Emerald Isle, NC

Science.gov (United States)

2012-10-24

... 1625-AA00 Safety Zone, Atlantic Intracoastal Waterway; Emerald Isle, NC AGENCY: Coast Guard, DHS... zone on the waters of the Atlantic Intracoastal Waterway at Emerald Isle, North Carolina. The safety... NC 58 Fixed Bridge crossing the Atlantic Intracoastal Waterway, mile 226, at Emerald Isle, North...

ORF Sequence: NC_006155 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available g protein (involved in environmental [Yersinia pseudotuberculosis IP 32953] MTKTDYLMRLRKCTTIDTLERVIEKNKYELSDDELELFYSAADHRLAELTMNKLYDKIPPTVWQHVK ... NC_006155 gi|51595328 >gi|51595328|ref|YP_069519.1| hemolysin expression modulatin

ORF Sequence: NC_002162 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002162 gi|13357802 >gi|13357802|ref|NP_078076.1| ribosomal protein L24 [Ureapla...sma parvum serovar 3 str. ATCC 700970] MNRIKKGDTVVVISGKNKNKSGVVIQVNPKEQTALVEGVNKIKRHQKKDQTHEQSGIIEKEAPIRLCKLALVDPKGKDKGKATKVKYLLKDNKKVRVARKSGSELDVNKK

CAI System with Multi-Media Text Through Web Browser for NC Lathe Programming

Science.gov (United States)

Mizugaki, Yoshio; Kikkawa, Koichi; Mizui, Masahiko; Kamijo, Keisuke

A new Computer Aided Instruction (CAI) system for NC lathe programming has been developed with use of multi-media texts including movies, animations, pictures, sound and texts through Web browser. Although many CAI systems developed previously for NC programming consist of text-based instructions, it is difficult for beginners to learn NC programming with use of them. In the developed CAI system, multi-media texts are adopted for the help of users' understanding, and it is available through Web browser anytime and anywhere. Also the error log is automatically recorded for the future references. According to the NC programming coded by a user, the movement of the NC lathe is animated and shown in the monitor screen in front of the user. If its movement causes the collision between a cutting tool and the lathe, some sound and the caution remark are generated. If the user makes mistakes some times at a certain stage in learning NC, the corresponding suggestion is shown in the form of movies, animations, and so forth. By using the multimedia texts, users' attention is kept concentrated during a training course. In this paper, the configuration of the CAI system is explained and the actual procedures for users to learn the NC programming are also explained too. Some beginners tested this CAI system and their results are illustrated and discussed from the viewpoint of the efficiency and usefulness of this CAI system. A brief conclusion is also mentioned.

NSDNA: a manually curated database of experimentally supported ncRNAs associated with nervous system diseases.

Science.gov (United States)

Wang, Jianjian; Cao, Yuze; Zhang, Huixue; Wang, Tianfeng; Tian, Qinghua; Lu, Xiaoyu; Lu, Xiaoyan; Kong, Xiaotong; Liu, Zhaojun; Wang, Ning; Zhang, Shuai; Ma, Heping; Ning, Shangwei; Wang, Lihua

2017-01-04

The Nervous System Disease NcRNAome Atlas (NSDNA) (http://www.bio-bigdata.net/nsdna/) is a manually curated database that provides comprehensive experimentally supported associations about nervous system diseases (NSDs) and noncoding RNAs (ncRNAs). NSDs represent a common group of disorders, some of which are characterized by high morbidity and disabilities. The pathogenesis of NSDs at the molecular level remains poorly understood. ncRNAs are a large family of functionally important RNA molecules. Increasing evidence shows that diverse ncRNAs play a critical role in various NSDs. Mining and summarizing NSD-ncRNA association data can help researchers discover useful information. Hence, we developed an NSDNA database that documents 24 713 associations between 142 NSDs and 8593 ncRNAs in 11 species, curated from more than 1300 articles. This database provides a user-friendly interface for browsing and searching and allows for data downloading flexibility. In addition, NSDNA offers a submission page for researchers to submit novel NSD-ncRNA associations. It represents an extremely useful and valuable resource for researchers who seek to understand the functions and molecular mechanisms of ncRNA involved in NSDs. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Crystallization and preliminary crystallographic study of carnosinase CN2 from mice

Energy Technology Data Exchange (ETDEWEB)

Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami, E-mail: kusunoki@protein.osaka-u.ac.jp [Institute for Protein Research, Osaka University, 3-2 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2006-10-01

Mouse carnosinase was crystallized in complex with Zn{sup 2+} or Mn{sup 2+} and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn{sup 2+} or Zn{sup 2+}. Both crystals of CN2 belong to the monoclinic space group P2{sub 1} and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn{sup 2+} complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn{sup 2+} and Mn{sup 2+} complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method.

Crystallization and preliminary crystallographic study of carnosinase CN2 from mice

International Nuclear Information System (INIS)

Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami

2006-01-01

Mouse carnosinase was crystallized in complex with Zn 2+ or Mn 2+ and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn 2+ or Zn 2+ . Both crystals of CN2 belong to the monoclinic space group P2 1 and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn 2+ complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn 2+ and Mn 2+ complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method

SFG experiment and ab initio study of the chemisorption of CN - on low-index platinum surfaces

Science.gov (United States)

Tadjeddine, M.; Flament, J.-P.; Le Rille, A.; Tadjeddine, A.

2006-05-01

A dual analysis is proposed in order to have a better understanding of the adsorption of the cyanide ions on a platinum electrode. The SFG (Sum Frequency Generation) spectroscopy allows the in situ vibrational study and the SFG spectra of the CN - species adsorbed on single crystal Pt electrode allow a systematic study of the low-index platinum surfaces. This experimental work is supported by ab initio calculations using density functional theory and cluster models. For each surface orientation and each geometry, a cluster model of 20-30 Pt atoms has been built in order to interpret the chemisorption of the CN - ions through four kinds of adsorption geometry: on-top or bridge site, bonding via C or N atoms. Geometries have been optimized and adsorption energies, electronic properties and vibrational frequencies have been computed. From the electronic properties, we can propose an analysis of the bonding mechanism for each studied kind of adsorption. The SFG spectra of the CN -/Pt(1 1 1) system present an unique resonance owing to the top C adsorption. It is mainly the same for the CN -/Pt(1 0 0) system. It is also the case for the SFG spectra of the CN -/Pt(1 1 0) system recorded at negative electrochemical voltage; at more positive voltage, a second resonance appears at a lower frequency, owing to the top N adsorption. Experimental and theoretical values of the C-N stretching frequencies are in excellent agreement.

precision deburring using NC and robot equipment. Final report

Energy Technology Data Exchange (ETDEWEB)

Gillespie, L.K.

1980-05-01

Deburring precision miniature components is often time consuming and inconsistent. Although robots are available for deburring parts, they are not precise enough for precision miniature parts. Numerical control (NC) machining can provide edge break consistencies to meet requirements such as 76.2-..mu..m maximum edge break (chamfer). Although NC machining has a number of technical limitations which prohibits its use on many geometries, it can be an effective approach to features that are particularly difficult to deburr.

Estimating Composite Curve Number Using an Improved SCS-CN Method with Remotely Sensed Variables in Guangzhou, China

Directory of Open Access Journals (Sweden)

Qihao Weng

2013-03-01

Full Text Available The rainfall and runoff relationship becomes an intriguing issue as urbanization continues to evolve worldwide. In this paper, we developed a simulation model based on the soil conservation service curve number (SCS-CN method to analyze the rainfall-runoff relationship in Guangzhou, a rapid growing metropolitan area in southern China. The SCS-CN method was initially developed by the Natural Resources Conservation Service (NRCS of the United States Department of Agriculture (USDA, and is one of the most enduring methods for estimating direct runoff volume in ungauged catchments. In this model, the curve number (CN is a key variable which is usually obtained by the look-up table of TR-55. Due to the limitations of TR-55 in characterizing complex urban environments and in classifying land use/cover types, the SCS-CN model cannot provide more detailed runoff information. Thus, this paper develops a method to calculate CN by using remote sensing variables, including vegetation, impervious surface, and soil (V-I-S. The specific objectives of this paper are: (1 To extract the V-I-S fraction images using Linear Spectral Mixture Analysis; (2 To obtain composite CN by incorporating vegetation types, soil types, and V-I-S fraction images; and (3 To simulate direct runoff under the scenarios with precipitation of 57mm (occurred once every five years by average and 81mm (occurred once every ten years. Our experiment shows that the proposed method is easy to use and can derive composite CN effectively.

K4 Fe(CN)6 as a spectrophotometric agent for uranium analysis

International Nuclear Information System (INIS)

Soedyartomo; Tarwita.

1976-01-01

The properties of K 4 Fe(CN) 6 as a spectrophotometric agent for Uranium analysis was observed by putting some experiment into practice. The experiment covers the observation of expanding colour stability, the optimization of operating condition (p,H. and wavelength), the effect of K 4 Fe(CN) 6 concentration and the preparation of its standard curves (transmitansion vs uranium concentration) and the observation of the interfering metal spectra s (Cu ++ , Fe ++ ) either of its mixtures or themselves alone, has been carried out. The result and discussion on it are given. (author)

Wireless passive polymer-derived SiCN ceramic sensor with integrated resonator/antenna

Science.gov (United States)

Li, Yan; Yu, Yuxi; San, Haisheng; Wang, Yansong; An, Linan

2013-10-01

This paper presents a passive wireless polymer-derived silicon carbonitride (SiCN) ceramic sensor based on cavity radio frequency resonator together with integrated slot antenna. The effect of the cavity sensor dimensions on the Q-factor and resonant frequency is investigated by numerical simulation. A sensor with optimal dimensions is designed and fabricated. It is demonstrated that the sensor signal can be wirelessly detected at distances up to 20 mm. Given the high-temperature stability of the SiCN, the sensor is very promising for high-temperature wireless sensing applications.

High (36)Cl/Cl ratios in Chernobyl groundwater.

Science.gov (United States)

Roux, Céline; Le Gal La Salle, Corinne; Simonucci, Caroline; Van Meir, Nathalie; Fifield, L Keith; Diez, Olivier; Bassot, Sylvain; Simler, Roland; Bugai, Dmitri; Kashparov, Valery; Lancelot, Joël

2014-12-01

After the explosion of the Chernobyl Nuclear Power Plant in April 1986, contaminated material was buried in shallow trenches within the exclusion zone. A (90)Sr plume was evidenced downgradient of one of these trenches, trench T22. Due to its conservative properties, (36)Cl is investigated here as a potential tracer to determine the maximal extent of the contamination plume from the trench in groundwater. (36)Cl/Cl ratios measured in groundwater, trench soil water and leaf leachates are 1-5 orders of magnitude higher than the theoretical natural (36)Cl/Cl ratio. This contamination occurred after the Chernobyl explosion and currently persists. Trench T22 acts as an obvious modern point source of (36)Cl, however other sources have to be involved to explain such contamination. (36)Cl contamination of groundwater can be explained by dilution of trench soil water by uncontaminated water (rainwater or deep groundwater). With a plume extending further than that of (90)Sr, radionuclide which is impacted by retention and decay processes, (36)Cl can be considered as a suitable tracer of contamination from the trench in groundwater provided that modern release processes of (36)Cl from trench soil are better characterized. Copyright © 2014 Elsevier Ltd. All rights reserved.

Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}; Reactions UF{sub 4} - ClF, UF{sub 4} - ClF{sub 3}, UF{sub 5} - ClF, UF{sub 5} - ClF{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Luce, M; Benoit, R; Hartmanshenn, O [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-07-01

The reaction between ClF{sub 3} and UF{sub 4} is partially explained by the study of the reactions of the three systems: UF{sub 4}-ClF, UF{sub 5}-ClF and UF{sub 5}-ClF{sub 3}. The analytical techniques used are: the micro-sublimation, the infra-red spectroscopy and the thermogravimetry. The origin of the by-products is indicated. (authors) [French] La reaction entre ClF{sub 3} et UF{sub 4} est partiellement expliquee grace a l'etude des reactions des trois systemes UF{sub 4}-ClF, UF{sub 5}-ClF et UF{sub 5}-ClF{sub 3}. Les techniques analytiques utilisees sont: la micro-sublimation, la spectroscopie infrarouge et la thermogravimetrie. L'origine des sous-produits est indiquee. (auteurs)

ORF Sequence: NC_003283 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003283 gi|17563066 >gi|17563066|ref|NP_506462.1| putative protein family member, with a transme...mbrane domain (5O433) [Caenorhabditis elegans] MWNLVSPIHISSKFSMEMAEVNVVAVPEENRQTYLETDNDRLVMAIIWLIMPPMAVFFKCRGCTKHVFINFLLYLLLVLPAYKHATWFCFVKGREFEAEDGFVRAR

ORF Sequence: NC_003280 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003280 gi|17535455 >gi|17535455|ref|NP_495314.1| putative endoplasmic reticulum protein, with a transme...mbrane domain (2G788) [Caenorhabditis elegans] MTDVRFIIWNCIALLVALMMALTSIIILSDAPHNSME

Selective hydrogenation of phenol to cyclohexanone over Pd@CN (N-doped porous carbon): Role of catalyst reduction method

Science.gov (United States)

Hu, Shuo; Yang, Guangxin; Jiang, Hong; Liu, Yefei; Chen, Rizhi

2018-03-01

Selective phenol hydrogenation is a green and sustainable technology to produce cyclohexanone. The work focused on investigating the role of catalyst reduction method in the liquid-phase phenol hydrogenation to cyclohexanone over Pd@CN (N-doped porous carbon). A series of reduction methods including flowing hydrogen reduction, in-situ reaction reduction and liquid-phase reduction were designed and performed. The results highlighted that the reduction method significantly affected the catalytic performance of Pd@CN in the liquid-phase hydrogenation of phenol to cyclohexanone, and the liquid-phase reduction with the addition of appropriate amount of phenol was highly efficient to improve the catalytic activity of Pd@CN. The influence mechanism was explored by a series of characterizations. The results of TEM, XPS and CO chemisorption confirmed that the reduction method mainly affected the size, surface composition and dispersion of Pd in the CN material. The addition of phenol during the liquid-phase reduction could inhibit the aggregation of Pd NPs and promote the reduction of Pd (2+), and then improved the catalytic activity of Pd@CN. The work would aid the development of high-performance Pd@CN catalysts for selective phenol hydrogenation.

Co-composting of green waste and food waste at low C/N ratio

International Nuclear Information System (INIS)

Kumar, Mathava; Ou, Y.-L.; Lin, J.-G.

2010-01-01

In this study, co-composting of food waste and green waste at low initial carbon to nitrogen (C/N) ratios was investigated using an in-vessel lab-scale composting reactor. The central composite design (CCD) and response surface method (RSM) were applied to obtain the optimal operating conditions over a range of preselected moisture contents (45-75%) and C/N ratios (13.9-19.6). The results indicate that the optimal moisture content for co-composting of food waste and green waste is 60%, and the substrate at a C/N ratio of 19.6 can be decomposed effectively to reduce 33% of total volatile solids (TVS) in 12 days. The TVS reduction can be modeled by using a second-order equation with a good fit. In addition, the compost passes the standard germination index of white radish seed indicating that it can be used as soil amendment.

ORF Sequence: NC_003047 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003047 gi|15965329 >gi|15965329|ref|NP_385682.1| PROBABLE CARBAMOYL-PHOSPHATE SYNTHASE LARGE CHAIN (AMMO...NIA CHAIN ARGININE BIOSYNTHESIS) PROTEIN [Sinorhizobium meliloti 1021] MPKRQDIKSILI

A Mild and Convenient Method for the Reduction of Carbonyl Compounds with NaBH{sub 4} in the Presence of Catalytic Amounts of MoCl{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Zeynizadeh, Behzad; Yahyaei, Saiedeh [Urmia University, Urmia (Iran, Islamic Republic of)

2003-11-15

NaBH{sub 4} with catalytic amounts of MoCl{sub 5} can readily reduce a variety of carbonyl compounds such as aldehydes, ketones, acyloins, α-diketones and conjugated enones to their corresponding alcohols in good to excellent yields. Reduction reactions were performed under aprotic condition in CH{sub 3}CN at room temperature or reflux. In addition, the chemoselective reduction of aldehydes over ketones was accomplished successfully with this reducing system.

Gold nano-particle formation from crystalline AuCN: Comparison of thermal, plasma- and ion-beam activated decomposition

Energy Technology Data Exchange (ETDEWEB)

Beck, Mihály T.; Bertóti, Imre, E-mail: bertoti.imre@ttk.mta.hu; Mohai, Miklós; Németh, Péter; Jakab, Emma; Szabó, László; Szépvölgyi, János

2017-02-15

In this work, in addition to the conventional thermal process, two non-conventional ways, the plasma and ion beam activations are described for preparing gold nanoparticles from microcrystalline AuCN precursor. The phase formation at plasma and ion beam treatments was compared with that at thermal treatments and the products and transformations were characterized by thermogravimetry-mass-spectrometry (TG-MS), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). TG-MS measurements in Ar atmosphere revealed that AuCN decomposition starts at 400 °C and completes at ≈700 °C with evolution of gaseous (CN){sub 2}. XPS and TEM show that in heat treatment at 450 °C for 1 h in Ar, loss of nitrogen and carbon occurs and small, 5–30 nm gold particles forms. Heating at 450 °C for 10 h in sealed ampoule, much larger, 60–200 nm size and well faceted Au particles develop together with a fibrous (CN){sub n} polymer phase, and the Au crystallites are covered by a 3–5 nm thick polymer shell. Low pressure Ar plasma treatment at 300 eV energy results in 4–20 nm size Au particles and removes most of the nitrogen and part of carbon. During Ar{sup +} ion bombardment with 2500 eV energy, 5–30 nm size Au crystallites form already in 10 min, with preferential loss of nitrogen and with increased amount of carbon residue. The results suggest that plasma and ion beam activation, acting similarly to thermal treatment, may be used to prepare Au nanoparticles from AuCN on selected surface areas either by depositing AuCN precursors on selected regions or by focusing the applied ionized radiation. Thus they may offer alternative ways for preparing tailor-made catalysts, electronic devices and sensors for different applications. - Graphical abstract: Proposed scheme of the decomposition mechanism of AuCN samples: heat treatment in Ar flow (a) and in sealed ampoule (b); Ar{sup +} ion treatment at 300 eV (c) and at 2500 eV (d). Cross section sketches

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

dppe)CN] (2), [(Cp)Ru(PPh3)2CN] (3), with the corresponding chloro complexes [(Ind)Ru(PPh3)2Cl] (4), [(Ind)Ru(dppe)Cl] (5), [(Cp)Ru(PPh3)2Cl] (6), in the presence of NH4PF6 salt give homometallic cyano-bridged compounds of the type ...

ORF Sequence: NC_004605 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available protein) (involved in swarmer cell regulation) [Vibrio parahaemolyticus RIMD 2210633] MKKAVKKISSKKIITISAIIV... NC_004605 gi|28901366 >gi|28901366|ref|NP_801021.1| ScrC (sensory box/GGDEF family

ORF Sequence: NC_006905 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available g protein (involved in environmental regulation of virulence factors) [Salmonella enterica subsp. enterica s... NC_006905 gi|62179085 >gi|62179085|ref|YP_215502.1| hemolysin expression modulatin

A Survey of CH3CN and HC3N in Protoplanetary Disks

Science.gov (United States)

Bergner, Jennifer B.; Guzmán, Viviana G.; Öberg, Karin I.; Loomis, Ryan A.; Pegues, Jamila

2018-04-01

The organic content of protoplanetary disks sets the initial compositions of planets and comets, thereby influencing subsequent chemistry that is possible in nascent planetary systems. We present observations of the complex nitrile-bearing species CH3CN and HC3N toward the disks around the T Tauri stars AS 209, IM Lup, LkCa 15, and V4046 Sgr as well as the Herbig Ae stars MWC 480 and HD 163296. HC3N is detected toward all disks except IM Lup, and CH3CN is detected toward V4046 Sgr, MWC 480, and HD 163296. Rotational temperatures derived for disks with multiple detected lines range from 29 to 73 K, indicating emission from the temperate molecular layer of the disk. V4046 Sgr and MWC 480 radial abundance profiles are constrained using a parametric model; the gas-phase CH3CN and HC3N abundances with respect to HCN are a few to tens of percent in the inner 100 au of the disk, signifying a rich nitrile chemistry at planet- and comet-forming disk radii. We find consistent relative abundances of CH3CN, HC3N, and HCN between our disk sample, protostellar envelopes, and solar system comets; this is suggestive of a robust nitrile chemistry with similar outcomes under a wide range of physical conditions.

Stress corrosion inhibitors for type 18-10 stainless steels with low carbon content in hot and concentrated solutions of MgCl2. Study of some inorganic iodides

International Nuclear Information System (INIS)

Pinard, J.-L.

1974-01-01

Stress corrosion inhibitors for type Z2CN18-10 austenitic stainless steels with low carbon content in a solution of Cl 2 Mg at 105 deg C were investigated. It was established that iodides are the most adequate corrosion inhibitors because they react simultaneously upon the three main components of the alloy (Fe, Ni, Cr). A difference of behavior between I 2 Mg and the other iodides was observed (in electrochemistry and in simple stress corrosion experiments) and the influence of the metallic cation associated to I - was studied. The formation of the superficial film and the phenomena liable to occur at the interface film-corrosive solution were examined: film growth in MgCl 2 ; influence of certain substances added to the solution. A mechanism of inhibition by I - is suggested. It is similar to the mechanism proposed by BERGEN for the stress corrosion cracking by Cl - [fr

De Novo Discovery of Structured ncRNA Motifs in Genomic Sequences

DEFF Research Database (Denmark)

Ruzzo, Walter L; Gorodkin, Jan

2014-01-01

De novo discovery of "motifs" capturing the commonalities among related noncoding ncRNA structured RNAs is among the most difficult problems in computational biology. This chapter outlines the challenges presented by this problem, together with some approaches towards solving them, with an emphas...... on an approach based on the CMfinder CMfinder program as a case study. Applications to genomic screens for novel de novo structured ncRNA ncRNA s, including structured RNA elements in untranslated portions of protein-coding genes, are presented.......De novo discovery of "motifs" capturing the commonalities among related noncoding ncRNA structured RNAs is among the most difficult problems in computational biology. This chapter outlines the challenges presented by this problem, together with some approaches towards solving them, with an emphasis...

Regional Calibration of SCS-CN L-THIA Model: Application for Ungauged Basins

Directory of Open Access Journals (Sweden)

Ji-Hong Jeon

2014-05-01

Full Text Available Estimating surface runoff for ungauged watershed is an important issue. The Soil Conservation Service Curve Number (SCS-CN method developed from long-term experimental data is widely used to estimate surface runoff from gaged or ungauged watersheds. Many modelers have used the documented SCS-CN parameters without calibration, sometimes resulting in significant errors in estimating surface runoff. Several methods for regionalization of SCS-CN parameters were evaluated. The regionalization methods include: (1 average; (2 land use area weighted average; (3 hydrologic soil group area weighted average; (4 area combined land use and hydrologic soil group weighted average; (5 spatial nearest neighbor; (6 inverse distance weighted average; and (7 global calibration method, and model performance for each method was evaluated with application to 14 watersheds located in Indiana. Eight watersheds were used for calibration and six watersheds for validation. For the validation results, the spatial nearest neighbor method provided the highest average Nash-Sutcliffe (NS value at 0.58 for six watersheds but it included the lowest NS value and variance of NS values of this method was the highest. The global calibration method provided the second highest average NS value at 0.56 with low variation of NS values. Although the spatial nearest neighbor method provided the highest average NS value, this method was not statistically different than other methods. However, the global calibration method was significantly different than other methods except the spatial nearest neighbor method. Therefore, we conclude that the global calibration method is appropriate to regionalize SCS-CN parameters for ungauged watersheds.

ORF Sequence: NC_000913 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available erobacterial common antigen (ECA) [Escherichia coli K12] MKVLTVFGTRPEAIKMAPLVHALAKD... NC_000913 gi|49176409 >gi|49176409|ref|YP_026253.1| UDP-N-acetyl glucosamine -2-epimerase; synthesis of ent

ORF Sequence: NC_003282 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003282 gi|17540144 >gi|17540144|ref|NP_500824.1| feminization 1 homolog a, FEMinization of XX and XO ani...mals FEM-1 (fem-1) [Caenorhabditis elegans] MTPNGHHFRTVIYNAAAVGNLQRIKVFTINSRNDRQWII

ORF Sequence: NC_000913 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000913 gi|16128606 >gi|16128606|ref|NP_415156.1| RNA chaperone, transcription antiterm...inator, affects expression of rpoS and uspA [Escherichia coli K12] MSKIKGNVKWFNESKGFGFITPEDGSKDVFVHFSAIQTNGFKTLAEGQRVEFEITNGAKGPSAANVIAL

ORF Sequence: NC_001137 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ull mutation has global effects on transcription; Yer064cp [Saccharomyces cerevisiae] MIDDTENSKIHLEGSHKTGKYT... NC_001137 gi|6320907 >gi|6320907|ref|NP_010986.1| Non-essential nuclear protein; n

ORF Sequence: NC_000913 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000913 gi|16128858 >gi|16128858|ref|NP_415411.1| periplasmic chaperone effects translocation of lipoprot...eins from inner membrane to outer membrane [Escherichia coli K12] MMKKIAITCALLSSLVA

ORF Sequence: NC_006905 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006905 gi|62179485 >gi|62179485|ref|YP_215902.1| periplasmic protein effects translocation of lipoprotei...ns from inner membrane to outer membrane [Salmonella enterica subsp. enterica serov

Validity and extension of the SCS-CN method for computing infiltration and rainfall-excess rates

Science.gov (United States)

Mishra, Surendra Kumar; Singh, Vijay P.

2004-12-01

A criterion is developed for determining the validity of the Soil Conservation Service curve number (SCS-CN) method. According to this criterion, the existing SCS-CN method is found to be applicable when the potential maximum retention, S, is less than or equal to twice the total rainfall amount. The criterion is tested using published data of two watersheds. Separating the steady infiltration from capillary infiltration, the method is extended for predicting infiltration and rainfall-excess rates. The extended SCS-CN method is tested using 55 sets of laboratory infiltration data on soils varying from Plainfield sand to Yolo light clay, and the computed and observed infiltration and rainfall-excess rates are found to be in good agreement.

Antibacterial activity and cell compatibility of TiZrN, TiZrCN, and TiZr-amorphous carbon coatings

Energy Technology Data Exchange (ETDEWEB)

Huang, Heng-Li [School of Dentistry, China Medical University, Taichung 404, Taiwan (China); Department of Bioinformatics and Medical Engineering, Asia University, Taichung 41354, Taiwan (China); Chang, Yin-Yu, E-mail: yinyu@nfu.edu.tw [Department of Mechanical and Computer-aided Engineering, National Formosa University, Yunlin 632, Taiwan (China); Liu, Jia-Xu [Department of Mechanical and Computer-aided Engineering, National Formosa University, Yunlin 632, Taiwan (China); Tsai, Ming-Tzu [Department of Biomedical Engineering, Hungkuang University, Taichung 433, Taiwan (China); Lai, Chih-Ho [Department of Microbiology and Immunology, Graduate Institute of Biomedical Sciences, Chang Gung University, Taoyuan, Taiwan (China)

2015-12-01

A cathodic-arc evaporation system with plasma-enhanced duct equipment was used to deposit TiZrN, TiZrCN, and TiZr/a-C coatings. Reactive gases (N{sub 2} and C{sub 2}H{sub 2}) activated by the Ti and Zr plasma in the evaporation process was used to deposit the TiZrCN and TiZr/a-C coatings with different C and nitrogen contents. The crystalline structures and bonding states of coatings were analyzed by X-ray diffraction and X-ray photoelectron spectroscopy. The microbial activity of the coatings was evaluated against Staphylococcus aureus (Gram-positive bacteria) and Actinobacillus actinomycetemcomitans (Gram-negative bacteria) by in vitro antibacterial analysis using a fluorescence staining method employing SYTO9 and a bacterial-viability test on an agar plate. The cell compatibility and morphology related to CCD-966SK cell-line human skin fibroblast cells on the coated samples were also determined using the 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide assay, reverse-transcriptase-polymerase chain reaction, and scanning electron microscopy. The results suggest that the TiZrCN coatings not only possess better antibacterial performance than TiZrN and TiZr/a-C coatings but also maintain good compatibility with human skin fibroblast cells. - Highlights: • TiZrN, TiZrCN, and TiZr/a-C coatings were deposited using cathodic arc evaporation. • The TiZrCN showed a composite structure containing TiN, ZrN, and a-C. • The TiZrCN-coated Ti showed the least hydrophobicity among the samples. • The TiZrCN-coated Ti showed good human skin fibroblast cell viability. • The TiZrCN-coated Ti exhibited good antibacterial performance.

Improvement of the Surface Hardness of Stainless Steel with the TitaniumCarbonitride Ti(CN) Thin Films

International Nuclear Information System (INIS)

Agus-Purwadi; Tri-Mardji Atmono; Widdi-Usada; Lely-Susita; Yunanto

2000-01-01

Fabrication of the T i (CN) thin films with methods of implantation and RFsputtering for improving the surfaces hardness of stainless steel (SS) hasbeen done. Some kinds of T i C thin films which made individually by varyingof RF sputtering power from 0 up to 160 watt are implanted by the nitrogenion beams on the doses and energy ion optimum of 6.107 x 10 17 ion/cm 2 and100 keV, also fabrication of T i (CN) thin films use RF sputtering method withT i target and reaction gases as argon, silene and nitrogen on the optimum ofsputtering parameter condition. The thin films yields are characterized byusing Microhardness Tester MX 170, obtained SS hardness which layered T i (CN)as 402.5 KHN from its initial of 215.54 KHN and 371.74 KHN (layered T i C), itmeans that the SS surface hardness improve 1.867 times cumulatively. From theX-Ray Diffraction (XRD) analysis yield showed that the microstructure ofT i (CN) films on the SS substrates are dominated by characteristic cubiccrystal structure with Miller plane orientation (111) on the scattering angleof 2 θ = 44 o . Morphology visualization of T i (CN) thin films crosssection on the SS substrate is realized by Spectroscopy Electron Microscope(SEM). (author)

Explicit flow equations and recursion operator of the ncKP hierarchy

International Nuclear Information System (INIS)

He, Jingsong; Wang, Lihong; Tu, Junyi; Li, Xiaodong

2011-01-01

The explicit expression of the flow equations of the noncommutative Kadomtsev–Petviashvili (ncKP) hierarchy is derived. Compared with the flow equations of the KP hierarchy, our result shows that the additional terms in the flow equations of the ncKP hierarchy indeed consist of commutators of dynamical coordinates {u i }. The recursion operator for the flow equations under n-reduction is presented. Further, under 2-reduction, we calculate a nonlocal recursion operator Φ(2) of the noncommutative Korteweg–de Vries(ncKdV) hierarchy, which generates a hierarchy of local, higher-order flows. Thus we solve the open problem proposed by Olver and Sokolov (1998 Commun. Math. Phys. 193 245–68)

The crystal structure of TeCl3+AuCl4-

International Nuclear Information System (INIS)

Jones, P.G.; Jentsch, D.; Schwarzmann, E.

1986-01-01

TeCl 3 + AuCl 4 - crystallizes in the triclinic space group Panti 1 with a=7.564(2), b=7.720(3), c=8.964(3) A, α=78.26(3), β=88.84(3), γ=89.35(3) 0 , Z=2. The structure was refined to R 0.041 for 1380 reflections. The cation polyhedron, including secondary Te...Cl interactions, is a square pyramid with mean Te-Cl 2.294, Te...Cl 3.028 A. The secondary interactions link the ions to form centrosymmetric (TeCl 3 .AuCl 4 ) 2 dimers. (orig.)

Testing the QCD string at large Nc from the thermodynamics of the hadronic phase

Science.gov (United States)

Cohen, Thomas D.

2007-02-01

It is generally believed that in the limit of a large number of colors (Nc) the description of confinement via flux tubes becomes valid and QCD can be modeled accurately via a hadronic string theory—at least for highly excited states. QCD at large Nc also has a well-defined deconfinement transition at a temperature Tc. In this talk it is shown how the thermodyanmics of the metastable hadronic phase of QCD (above Tc) at large NC can be related directly to properties of the effective QCD string. The key points in the derivation is the weakly interacting nature of hadrons at large Nc and the existence of a Hagedorn temperature TH for the effective string theory. From this it can be seen at large Nc and near TH, the energy density and pressure of the hadronic phase scale as E ˜ (TH - T)-(D⊥-6)/2 (for D⊥ TH - T)-(D⊥-4)/2 (for D⊥ TH > Tc this behavior is of relevance only to the metastable phase. The prospect of using this result to extract D⊥ via lattice simulations of the metastable hadronic phase at moderately large Nc is discussed.

ORF Sequence: NC_006905 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available of cations and cationic drugs [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67] MFYWILL... NC_006905 gi|62180070 >gi|62180070|ref|YP_216487.1| putative membrane transporter

ORF Sequence: NC_006905 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available of cations and cationic drugs [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67] MQQFEWI... NC_006905 gi|62180071 >gi|62180071|ref|YP_216488.1| putative membrane transporter

ORF Sequence: NC_000913 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000913 gi|16131649 >gi|16131649|ref|NP_418241.1| TDP-Fuc4NAc:lipidII transferase; synthesis of enterobac...terial common antigen (ECA) [Escherichia coli K12] MSLLQFSGLFVVWLLCTLFIATLTWFEFRRVR

ORF Sequence: NC_001147 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_001147 gi|6324442 >gi|6324442|ref|NP_014511.1| Plasma membrane Mg(2+) transporter, expression and turnov...er are regulated by Mg(2+) concentration; overexpression confers increased toleranc

ORF Sequence: NC_001134 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ivery of heterogeneous nuclear ribonucleoproteins to the nucleoplasm, binds rg-nucl... NC_001134 gi|6319491 >gi|6319491|ref|NP_009573.1| Transportin, cytosolic karyopherin beta 2 involved in del

Heterobimetallic [NiFe] Complexes Containing Mixed CO/CN- Ligands: Analogs of the Active Site of the [NiFe] Hydrogenases.

Science.gov (United States)

Perotto, Carlo U; Sodipo, Charlene L; Jones, Graham J; Tidey, Jeremiah P; Blake, Alexander J; Lewis, William; Davies, E Stephen; McMaster, Jonathan; Schröder, Martin

2018-03-05

The development of synthetic analogs of the active sites of [NiFe] hydrogenases remains challenging, and, in spite of the number of complexes featuring a [NiFe] center, those featuring CO and CN - ligands at the Fe center are under-represented. We report herein the synthesis of three bimetallic [NiFe] complexes [Ni( N 2 S 2 )Fe(CO) 2 (CN) 2 ], [Ni( S 4 )Fe(CO) 2 (CN) 2 ], and [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] that each contain a Ni center that bridges through two thiolato S donors to a {Fe(CO) 2 (CN) 2 } unit. X-ray crystallographic studies on [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ], supported by DFT calculations, are consistent with a solid-state structure containing distinct molecules in the singlet ( S = 0) and triplet ( S = 1) states. Each cluster exhibits irreversible reduction processes between -1.45 and -1.67 V vs Fc + /Fc and [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] possesses a reversible oxidation process at 0.17 V vs Fc + /Fc. Spectroelectrochemical infrared (IR) and electron paramagnetic resonance (EPR) studies, supported by density functional theory (DFT) calculations, are consistent with a Ni III Fe II formulation for [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] + . The singly occupied molecular orbital (SOMO) in [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] + is based on Ni 3d z 2 and 3p S with the S contributions deriving principally from the apical S-donor. The nature of the SOMO corresponds to that proposed for the Ni-C state of the [NiFe] hydrogenases for which a Ni III Fe II formulation has also been proposed. A comparison of the experimental structures, and the electrochemical and spectroscopic properties of [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] and its [Ni( N 2 S 3 )] precursor, together with calculations on the oxidized [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] + and [Ni( N 2 S 3 )] + forms suggests that the binding of the {Fe(CO)(CN) 2 } unit to the {Ni(CysS) 4 } center at the active site of the [NiFe] hydrogenases suppresses thiolate-based oxidative chemistry involving the bridging thiolate S donors

Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3]3- and [X4(XeO3)4]4- (X = Cl or Br).

Science.gov (United States)

Goettel, James T; Haensch, Veit G; Schrobilgen, Gary J

2017-06-28

The number of isolable compounds which contain different noble-gas-element bonds is limited for xenon and even more so for krypton. Examples of Xe-Cl bonds are rare, and prior to this work, no Xe-Br bonded compound had been isolated in macroscopic quantities. The syntheses, isolation, and characterization of the first compounds to contain Xe-Br bonds and their chlorine analogues are described in the present work. The reactions of XeO 3 with [N(CH 3 ) 4 ]Br and [N(C 2 H 5 ) 4 ]Br have provided two bromoxenate salts, [N(C 2 H 5 ) 4 ] 3 [Br 3 (XeO 3 ) 3 ] and [N(CH 3 ) 4 ] 4 [Br 4 (XeO 3 ) 4 ], in which the cage anions have Xe-Br bond lengths that range from 3.0838(3) to 3.3181(8) Å. The isostructural chloroxenate anions (Xe-Cl bond lengths, 2.9316(2) to 3.101(4) Å) were synthesized by analogy with their bromine analogues. The bromo- and chloroxenate salts are stable in the atmosphere at room temperature and were characterized in the solid state by Raman spectroscopy and low-temperature single-crystal X-ray diffraction, and in the gas phase by quantum-chemical calculations. They are the only known examples of cage anions that contain a noble-gas element. The Xe-Br and Xe-Cl bonds are very weakly covalent and can be viewed as σ-hole interactions, similar to those encountered in halogen bonding. However, the halogen atoms in these cases are valence electron lone pair donors, and the σ* Xe-O orbitals are lone pair acceptors.

NMR study of distinct phase transitional behaviors in (CnH2n+1NH3)2SnCl6

International Nuclear Information System (INIS)

Lee, K. W.; Lee, C. E.; Choi, J. Y.; Kim, J.

2005-01-01

Phase transitions in bis-(n-C n H 2n+1 NH 3 ) 2 SnCl 6 , where the hydrocarbon part is analogous to lipid membrane, were investigated by means of 200-MHz 1 H nuclear magnetic resonance. As a result, critical fluctuations and molecular dynamics associated with the phase transitions, an order-disorder and a conformational phase transition, were distinguished in a wide temperature range. The critical dynamics, observed in the long-chain compounds but not in the short-chain compounds by laboratory frame spin-lattice relaxation measurements, is discussed in view of the chain length dependence of molecular dynamics.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

Science.gov (United States)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

2017-10-01

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN

ORF Alignment: NC_002977 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002977 gi|53804693 >1fgjA 20 492 48 517 e-179 ... gb|AAU92745.1| hydroxylamine oxy...doreductase [Methylococcus capsulatus str. Bath] ... ref|YP_113436.1| hydroxylamine oxydoreductase ...

ORF Alignment: NC_006569 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006569 gi|56708985 >1fgjA 5 498 32 521 0.0 ... ref|YP_165030.1| hydroxylamine oxid...oreductase [Silicibacter pomeroyi DSS-3] ... gb|AAV97335.1| hydroxylamine oxidoreductase ... [

ORF Alignment: NC_004307 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004307 gi|23465117 >1g5aA 80 628 2 589 5e-59 ... gb|AAL05573.1| alpha-glucosidase [Bifidobacterium adolesce...ntis] ... Length = 588 ... Query: 1 ... MTANNLNDDWWKQAVVYQIYPRSFKDVNGDGLGDIAGVTEK

ORF Sequence: NC_002945 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002945 gi|31792282 >gi|31792282|ref|NP_854775.1| PROBABLE CELLULASE CELA2A (ENDO-1,4-BETA-GLUCA...NASE) (ENDOGLUCANASE) (CARBOXYMETHYL CELLULASE) [Mycobacterium bovis AF2122/97] MNGAAPTNGAPLSYPSICEGVHWGHLVGGHQPAY

ORF Sequence: NC_000962 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000962 gi|57116825 >gi|57116825|ref|YP_177638.1| PROBABLE CELLULASE CELA2A (ENDO-1,4-BETA-GLUCA...NASE) (ENDOGLUCANASE) (CARBOXYMETHYL CELLULASE) [Mycobacterium tuberculosis H37Rv] MNGAAPTNGAPLSYPSICEGVHWGHLVGGHQPAY

ORF Sequence: NC_006905 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006905 gi|62181272 >gi|62181272|ref|YP_217689.1| H inversion: regulation of fla...gellar gene expression by site-specific inversion of DNA [Salmonella enterica subsp. enterica serovar Choler

Characterization of thick and thin film SiCN for pressure sensing at high temperatures.

Science.gov (United States)

Leo, Alfin; Andronenko, Sergey; Stiharu, Ion; Bhat, Rama B

2010-01-01

Pressure measurement in high temperature environments is important in many applications to provide valuable information for performance studies. Information on pressure patterns is highly desirable for improving performance, condition monitoring and accurate prediction of the remaining life of systems that operate in extremely high temperature environments, such as gas turbine engines. A number of technologies have been recently investigated, however these technologies target specific applications and they are limited by the maximum operating temperature. Thick and thin films of SiCN can withstand high temperatures. SiCN is a polymer-derived ceramic with liquid phase polymer as its starting material. This provides the advantage that it can be molded to any shape. CERASET™ also yields itself for photolithography, with the addition of photo initiator 2, 2-Dimethoxy-2-phenyl-acetophenone (DMPA), thereby enabling photolithographical patterning of the pre-ceramic polymer using UV lithography. SiCN fabrication includes thermosetting, crosslinking and pyrolysis. The technology is still under investigation for stability and improved performance. This work presents the preparation of SiCN films to be used as the body of a sensor for pressure measurements in high temperature environments. The sensor employs the phenomenon of drag effect. The pressure sensor consists of a slender sensitive element and a thick blocking element. The dimensions and thickness of the films depend on the intended application of the sensors. Fabrication methods of SiCN ceramics both as thin (about 40-60 μm) and thick (about 2-3 mm) films for high temperature applications are discussed. In addition, the influence of thermosetting and annealing processes on mechanical properties is investigated.

Characterization of Thick and Thin Film SiCN for Pressure Sensing at High Temperatures

Directory of Open Access Journals (Sweden)

Rama B. Bhat

2010-02-01

Full Text Available Pressure measurement in high temperature environments is important in many applications to provide valuable information for performance studies. Information on pressure patterns is highly desirable for improving performance, condition monitoring and accurate prediction of the remaining life of systems that operate in extremely high temperature environments, such as gas turbine engines. A number of technologies have been recently investigated, however these technologies target specific applications and they are limited by the maximum operating temperature. Thick and thin films of SiCN can withstand high temperatures. SiCN is a polymer-derived ceramic with liquid phase polymer as its starting material. This provides the advantage that it can be molded to any shape. CERASET™ also yields itself for photolithography, with the addition of photo initiator 2, 2-Dimethoxy-2-phenyl-acetophenone (DMPA, thereby enabling photolithographical patterning of the pre-ceramic polymer using UV lithography. SiCN fabrication includes thermosetting, crosslinking and pyrolysis. The technology is still under investigation for stability and improved performance. This work presents the preparation of SiCN films to be used as the body of a sensor for pressure measurements in high temperature environments. The sensor employs the phenomenon of drag effect. The pressure sensor consists of a slender sensitive element and a thick blocking element. The dimensions and thickness of the films depend on the intended application of the sensors. Fabrication methods of SiCN ceramics both as thin (about 40–60 µm and thick (about 2–3 mm films for high temperature applications are discussed. In addition, the influence of thermosetting and annealing processes on mechanical properties is investigated.

Cloning, Expression Profiling and Functional Analysis of CnHMGS, a Gene Encoding 3-hydroxy-3-Methylglutaryl Coenzyme A Synthase from Chamaemelum nobile

Directory of Open Access Journals (Sweden)

Shuiyuan Cheng

2016-03-01

Full Text Available Roman chamomile (Chamaemelum nobile L. is renowned for its production of essential oils, which major components are sesquiterpenoids. As the important enzyme in the sesquiterpenoid biosynthesis pathway, 3-hydroxy-3-methylglutaryl coenzyme A synthase (HMGS catalyze the crucial step in the mevalonate pathway in plants. To isolate and identify the functional genes involved in the sesquiterpene biosynthesis of C. nobile L., a HMGS gene designated as CnHMGS (GenBank Accession No. KU529969 was cloned from C. nobile. The cDNA sequence of CnHMGS contained a 1377 bp open reading frame encoding a 458-amino-acid protein. The sequence of the CnHMGS protein was highly homologous to those of HMGS proteins from other plant species. Phylogenetic tree analysis revealed that CnHMGS clustered with the HMGS of Asteraceae in the dicotyledon clade. Further functional complementation of CnHMGS in the mutant yeast strain YSC6274 lacking HMGS activity demonstrated that the cloned CnHMGS cDNA encodes a functional HMGS. Transcript profile analysis indicated that CnHMGS was preferentially expressed in flowers and roots of C. nobile. The expression of CnHMGS could be upregulated by exogenous elicitors, including methyl jasmonate and salicylic acid, suggesting that CnHMGS was elicitor-responsive. The characterization and expression analysis of CnHMGS is helpful to understand the biosynthesis of sesquiterpenoid in C. nobile at the molecular level and also provides molecular wealth for the biotechnological improvement of this important medicinal plant.

Cloning, Expression Profiling and Functional Analysis of CnHMGS, a Gene Encoding 3-hydroxy-3-Methylglutaryl Coenzyme A Synthase from Chamaemelum nobile.

Science.gov (United States)

Cheng, Shuiyuan; Wang, Xiaohui; Xu, Feng; Chen, Qiangwen; Tao, Tingting; Lei, Jing; Zhang, Weiwei; Liao, Yongling; Chang, Jie; Li, Xingxiang

2016-03-08

Roman chamomile (Chamaemelum nobile L.) is renowned for its production of essential oils, which major components are sesquiterpenoids. As the important enzyme in the sesquiterpenoid biosynthesis pathway, 3-hydroxy-3-methylglutaryl coenzyme A synthase (HMGS) catalyze the crucial step in the mevalonate pathway in plants. To isolate and identify the functional genes involved in the sesquiterpene biosynthesis of C. nobile L., a HMGS gene designated as CnHMGS (GenBank Accession No. KU529969) was cloned from C. nobile. The cDNA sequence of CnHMGS contained a 1377 bp open reading frame encoding a 458-amino-acid protein. The sequence of the CnHMGS protein was highly homologous to those of HMGS proteins from other plant species. Phylogenetic tree analysis revealed that CnHMGS clustered with the HMGS of Asteraceae in the dicotyledon clade. Further functional complementation of CnHMGS in the mutant yeast strain YSC6274 lacking HMGS activity demonstrated that the cloned CnHMGS cDNA encodes a functional HMGS. Transcript profile analysis indicated that CnHMGS was preferentially expressed in flowers and roots of C. nobile. The expression of CnHMGS could be upregulated by exogenous elicitors, including methyl jasmonate and salicylic acid, suggesting that CnHMGS was elicitor-responsive. The characterization and expression analysis of CnHMGS is helpful to understand the biosynthesis of sesquiterpenoid in C. nobile at the molecular level and also provides molecular wealth for the biotechnological improvement of this important medicinal plant.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

Science.gov (United States)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN �

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17546028 >1fjgR 2 71 22 91 5e-16 ... emb|CAD15011.1| PROBABLE PRIMOSOMAL REPLICATION... PROTEIN [Ralstonia solanacearum] ... ref|NP_519430.1| PROBABLE PRIMOSOMAL REPLICATION ...

ORF Alignment: NC_003228 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003228 gi|60681683 >1gntA 1 551 3 543 0.0 ... emb|CAH07898.1| hydroxylamine reduct...ase [Bacteroides fragilis NCTC 9343] ... ref|YP_211827.1| hydroxylamine reductase [Bacteroides ...

ORF Sequence: NC_003281 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003281 gi|25151987 >gi|25151987|ref|NP_499440.2| TRAnsformer : XX animals trans...formed into males TRA-1, HERmaphrodization of XO animals HER-2, sex determination zinc-finger protein, alter

ORF Sequence: NC_003282 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available inization of XX and XO animals FEM-3 (46.2 kD) (fem-3) [Caenorhabditis elegans] MEVDPGSDDVEADRETRAQKLKLKRNVK... NC_003282 gi|17540880 >gi|17540880|ref|NP_501587.1| sex determination protein, FEM

ORF Alignment: NC_005296 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005296 gi|39936477 >1kmoA 7 661 92 753 2e-72 ... emb|CAE28855.1| putative hydroxamate-type ferris... ... putative hydroxamate-type ferrisiderophore receptor ... [Rhodopseudomonas palustris CGA009] ...

ORF Alignment: NC_006155 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006155 gi|51597538 >1kmoA 5 661 59 714 9e-71 ... ref|YP_071729.1| putative hydroxamate-type ferris...ive ... hydroxamate-type ferrisiderophore receptor. [Yersinia ... pseudotuberculosis IP 32953

ORF Alignment: NC_006274 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006274 gi|52142162 >1gpuA 4 663 4 663 0.0 ... ref|YP_084669.1| transketolase (glycoal...dehyde transferase) [Bacillus cereus ZK] ... gb|AAU17181.1| transketolase (glycoaldehyde transfera

ORF Alignment: NC_003888 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003888 gi|21219041 >1pv1A 14 282 20 256 6e-05 ... emb|CAE53384.1| hypothetical protein [Actinoplanes... teichomyceticus] emb|CAG15045.1| ... hypothetical protein [Actinoplanes teichomyce

ORF Alignment: NC_003306 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003306 gi|17938860 >1pv1A 14 282 20 256 6e-05 ... emb|CAE53384.1| hypothetical protein [Actinoplanes... teichomyceticus] emb|CAG15045.1| ... hypothetical protein [Actinoplanes teichomyce

ORF Alignment: NC_003064 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003064 gi|16119505 >1pv1A 14 282 20 256 6e-05 ... emb|CAE53384.1| hypothetical protein [Actinoplanes... teichomyceticus] emb|CAG15045.1| ... hypothetical protein [Actinoplanes teichomyce

ORF Sequence: NC_001145 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_001145 gi|6323710 >gi|6323710|ref|NP_013781.1| Protein required for nuclear mem...brane fusion during karyogamy, localizes to the membrane with a soluble portion in the endoplasmic reticulum

ORF Alignment: NC_003919 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003919 gi|21242752 >1iwlA 2 180 23 207 3e-47 ... gb|AAM36870.1| outer-membrane lipoproteins... ... outer-membrane lipoproteins carrier protein precursor ... [Xanthomonas axonopodis pv. citr

ORF Alignment: NC_006370 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006370 gi|54308356 >1iwlA 4 181 22 199 2e-52 ... ref|YP_129376.1| hypothetical outer membrane lipoproteins... ... hypothetical outer membrane lipoproteins carrier protein ... [Photobacterium profundum] ... L

ORF Sequence: NC_002655 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002655 gi|15800754 >gi|15800754|ref|NP_286768.1| periplasmic protein effects translocation of lipoprotei...ns from inner membrane to outer [Escherichia coli O157:H7 EDL933] MMKKIAITCALLSSLVA

Magnetic structure of molecular magnet Fe[Fe(CN) 6

Indian Academy of Sciences (India)

We have studied the magnetic structure of Fe[Fe(CN)6]·4H2O, prepared by precipitation method, using neutron diffraction technique. Temperature dependent DC magnetization study down to 4.2 K shows that the compound undergoes from a high temperature disordered (paramagnetic) to an ordered magnetic phase ...

46 CFR 7.55 - Cape Henry, VA to Cape Fear, NC.

Science.gov (United States)

2010-10-01

... 46 Shipping 1 2010-10-01 2010-10-01 false Cape Henry, VA to Cape Fear, NC. 7.55 Section 7.55 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY PROCEDURES APPLICABLE TO THE PUBLIC BOUNDARY LINES Atlantic Coast § 7.55 Cape Henry, VA to Cape Fear, NC. (a) A line drawn from Rudee Inlet Jetty Light “2” to...

Synthesis, Characterization and Biological Studies of New Phenyltin(IV) Dithiocarbamate Compounds

International Nuclear Information System (INIS)

Amirah Faizah Abdul Muthalib; Ibrahim Baba; Nazlina Ibrahim

2015-01-01

Nine chlorophenyl tin(IV) dithiocarbamate compounds of general formula PhSnCl[S 2 CNR ' R '' ] 2 (R ' = CH 3 , C 2 H 5 , C 7 H 7 and R ' = C 2 H 5 , C 6 H 11 , iC 3 H 7 , C 7 H 7 ) were prepared in one pot reaction of various secondary amine, carbon disulphide and phenyltin(1V) trichloride with the ratio of 2:2:1. These compounds have been characterized by elemental analysis, infrared spectroscopy, ultraviolet spectroscopy, 1 H, 13 C NMR spectroscopy as well as single crystal X-ray crystallography. Data from X-ray crystallography showed that (C 6 H 5 )SnCl[S 2 CN(C 2 H 5 )(iC 3 H 7 )] 2 is six coordinated bonded with two chelating dithiocarbamate ligands in bidentate fashion, methyl-C and chloride atom thus form a distorted octahedral geometry. Five selected compounds, (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 2 H 5 )] 2 , (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 6 H 11 )] 2 , (C 6 H 5 )SnCl[S 2 CN(C 2 H 5 )(iC 3 H 7 )] 2 , (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] 2 and (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 ) 2 ] 2 were screened for anticancer activity against Chang liver cells. These compounds were demonstrated no cytotoxic effect for all concentrations under the condition of the study with no IC 50 value. The minimum inhibitory concentration (MIC) and maximum bactericidal concentration (MBC) determinations for these five compounds used Escherichia coli and Pseudomonas aeruginosa as Gram negative bacteria together with Staphylococcus aureus and Staphylococcus epidermis as Gram positive bacteria. Compound (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 2 H 5 )] 2 was the most active compared to the other compounds by having the lowest MIC values of 1.25 mg/ mL and MBC value of 5.0 mg/ mL against E. Coli and S. Aureus bacteria. Compounds (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] 2 and (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 ) 2 ] 2 that having a benzyl group showed their MIC and MBC values slightly higher compared to the other compounds againts certain bacteria indicating their low

Improvement of pre-treatment method for 36Cl/Cl measurement of Cl in natural groundwater by AMS

International Nuclear Information System (INIS)

Nakata, Kotaro; Hasegawa, Takuma

2011-01-01

Estimation of 36 Cl/Cl by accelerator mass spectrometry (AMS) is a useful method to trace hydrological processes in groundwater. For accurate estimation, separation of SO 4 2- from Cl - in groundwater is required because 36 S affects AMS measurement of 36 Cl. Previous studies utilized the difference in solubility between BaSO 4 and BaCl 2 (BaSO 4 method) to chemically separate SO 4 2- from Cl - . However, the accuracy of the BaSO 4 method largely depends on operator skill, and consequently Cl - recovery is typically incomplete (70-80%). In addition, the method is time consuming (>1 week), and cannot be applied directly to dilute solutions. In this study, a method based on ion-exchange column chromatography (column method) was developed for separation of Cl - and SO 4 2- . Optimum conditions were determined for the diameter and height of column, type and amount of resin, type and concentration of eluent, and flow rate. The recovery of Cl - was almost 100%, which allowed complete separation from SO 4 2- . The separation procedure was short ( 4 methods, and then analyzed by AMS to estimate 36 S counts and 36 Cl/Cl values. 36 S counts in samples processed by the column method were stable and lower than those from the BaSO 4 method. The column method has the following advantages over the BaSO 4 method: (1) complete and stable separation of Cl - and SO 4 2- , (2) less operator influence on results, (3) short processing time ( - , and (5) concentration of Cl - and separation from SO 4 2- in the one system for dilute solutions.

ORF Alignment: NC_006371 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006371 gi|54302237 >1r690 2 63 15 79 7e-05 ... ref|YP_132230.1| hypotethical trans...criptional regulator [Photobacterium profundum ... SS9] emb|CAG22430.1| hypotethical transcriptional ...

ORF Alignment: NC_002947 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002947 gi|26988182 >1rwrA 1 265 36 293 1e-50 ... ref|NP_743607.1| surface colonization... ... gb|AAN67071.1| surface colonization protein, putative ... [Pseudomonas putida KT2440] ...

ORF Sequence: NC_001139 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_001139 gi|6321518 >gi|6321518|ref|NP_011595.1| Protein of unknown function; deletion... mutant has synthetic fitness defect with an sgs1 deletion mutant; Slx9p [Saccharomyces cerevisiae] MVA

ORF Alignment: NC_004461 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004461 gi|27467238 >1kolA 35 391 30 342 2e-04 ... ref|NP_763875.1| xylitol dehydro...genase [Staphylococcus epidermidis ATCC 12228] ... gb|AAO03917.1| xylitol dehydrogenase [Staphylococc

ORF Sequence: NC_002655 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available erobacterial common antigen (ECA) [Escherichia coli O157:H7 EDL933] MSAKALAAYSKRIDV... NC_002655 gi|15804377 >gi|15804377|ref|NP_290417.1| UDP-N-acetyl glucosamine -2-epimerase; synthesis of ent

ORF Alignment: NC_003075 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003075 gi|42566272 >1ogqA 3 270 31 261 6e-05 ... ref|NP_192248.2| leucine-rich repeat transme...ery: 151 XXXXXXXGELPDVFQNLVGLINLDISSNNISGTLPPSMENLLTLTTLRVQNNQLSGTLDV 210 ... GELPDVFQNLVGLINLDISSNNISGTLPPSME...NLLTLTTLRVQNNQLSGTLDV Sbjct: 121 LNDNLLSGELPDVFQNLVGLINLDISSNNISGTLPPSMENLLTLTTLRVQNNQLSGTLDV 180 ...

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17546366 >1bxdA 1 144 297 447 7e-18 ... emb|CAD15349.1| PROBABLE OXIDATIVE STRESS...PROTEIN ... [Ralstonia solanacearum] ref|NP_519768.1| PROBABLE ... OXIDATIVE STRESS RESISTANCE

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17546366 >1joyA 1 67 230 295 9e-16 ... emb|CAD15349.1| PROBABLE OXIDATIVE STRESS...ROTEIN ... [Ralstonia solanacearum] ref|NP_519768.1| PROBABLE ... OXIDATIVE STRESS RESISTANCE

ORF Alignment: NC_002928 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002928 gi|33596933 >1kmoA 7 661 65 702 8e-60 ... ref|NP_884576.1| putative ferrisi...derophore receptor [Bordetella parapertussis 12822] ... emb|CAE37631.1| putative ferrisiderophore rec

ORF Alignment: NC_003155 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003155 gi|29832733 >1chkA 1 236 48 283 9e-87 ... dbj|BAC73902.1| putative chitosan...ase [Streptomyces avermitilis MA-4680] ... ref|NP_827367.1| putative chitosanase [Streptomyces ...

ORF Alignment: NC_003155 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003155 gi|29828557 >1chkA 1 236 35 270 4e-95 ... dbj|BAC69726.1| putative chitosan...ase [Streptomyces avermitilis MA-4680] ... ref|NP_823191.1| putative chitosanase [Streptomyces ...

ORF Alignment: NC_003888 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available tide synthetase [Actinoplanes teichomyceticus] ... Length = 427 ... Query: 12 ... LSPLQEGMLFHNLFDEEELDAYNVQ... NC_003888 gi|32141196 >1l5aA 1 423 12 438 2e-57 ... emb|CAE53352.1| non-ribosomal pep

ORF Alignment: NC_005363 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005363 gi|42523916 >1a12A 35 375 64 376 3e-39 ... emb|CAE53335.1| putative RCC1 repeats protein [Actinoplan...es teichomyceticus] ... Length = 313 ... Query: 425 GVGFACALYDNNDLKCFGANDYGQLGD

ORF Alignment: NC_005090 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005090 gi|34558174 >1wcv1 4 239 4 244 2e-25 ... ref|NP_907989.1| SEPTUM SITE-DETERMINING...| SEPTUM ... SITE-DETERMINING PROTEIN MIND CELL DIVISION INHIBITOR ... MIND [Wolinella succino

ORF Alignment: NC_005090 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005090 gi|34557077 >1vdkA 1 459 5 463 e-135 ... ref|NP_906892.1| ASPARTATE AMMONIA...-LYASE [Wolinella succinogenes DSM 1740] ... emb|CAE09792.1| ASPARTATE AMMONIA-LYASE [Wolinella ...

ORF Alignment: NC_003450 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003450 gi|19553429 >1v4aA 22 435 620 1034 4e-69 ... ref|YP_226470.1| GLUTAMATE-AMMONIA...mb|CAF20569.1| ... GLUTAMATE-AMMONIA-LIGASE ADENYLYLTRANSFERASE ... [Corynebacterium glutami

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17547365 >1gkmA 3 497 10 504 e-143 ... emb|CAD16353.1| PROBABLE HISTIDINE AMMONIA...-LYASE (HISTIDASE) PROTEIN [Ralstonia ... solanacearum] ref|NP_520767.1| PROBABLE HISTIDINE ... AMMONIA

ORF Alignment: NC_003047 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003047 gi|15966456 >1gkmA 2 501 3 499 e-107 ... emb|CAC47282.1| PUTATIVE HISTIDINE AMMONIA...-LYASE PROTEIN [Sinorhizobium meliloti] ... ref|NP_386809.1| PUTATIVE HISTIDINE AMMONIA-LYASE

ORF Alignment: NC_003450 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003450 gi|19552717 >1vdkA 1 459 57 516 e-127 ... ref|YP_225787.1| ASPARTATE AMMONIA...ynebacterium glutamicum ATCC 13032] emb|CAF21511.1| ... ASPARTATE AMMONIA-LYASE (ASPARTASE) [Coryneba

New Insights into Understanding Irreversible and Reversible Lithium Storage within SiOC and SiCN Ceramics.

Science.gov (United States)

Graczyk-Zajac, Magdalena; Reinold, Lukas Mirko; Kaspar, Jan; Sasikumar, Pradeep Vallachira Warriam; Soraru, Gian-Domenico; Riedel, Ralf

2015-02-24

Within this work we define structural properties of the silicon carbonitride (SiCN) and silicon oxycarbide (SiOC) ceramics which determine the reversible and irreversible lithium storage capacities, long cycling stability and define the major differences in the lithium storage in SiCN and SiOC. For both ceramics, we correlate the first cycle lithiation or delithiation capacity and cycling stability with the amount of SiCN/SiOC matrix or free carbon phase, respectively. The first cycle lithiation and delithiation capacities of SiOC materials do not depend on the amount of free carbon, while for SiCN the capacity increases with the amount of carbon to reach a threshold value at ~50% of carbon phase. Replacing oxygen with nitrogen renders the mixed bond Si-tetrahedra unable to sequester lithium. Lithium is more attracted by oxygen in the SiOC network due to the more ionic character of Si-O bonds. This brings about very high initial lithiation capacities, even at low carbon content. If oxygen is replaced by nitrogen, the ceramic network becomes less attractive for lithium ions due to the more covalent character of Si-N bonds and lower electron density on the nitrogen atom. This explains the significant difference in electrochemical behavior which is observed for carbon-poor SiCN and SiOC materials.

Structural, Mechanical and Tribological Properties of NbCN-Ag Nanocomposite Films Deposited by Reactive Magnetron Sputtering

Directory of Open Access Journals (Sweden)

Fanjing Wu

2018-01-01

Full Text Available In this study, reactive magnetron sputtering was applied for preparing NbCN-Ag films with different Ag additions. Ag contents in the as-deposited NbCN-Ag films were achieved by adjusting Ag target power. The composition, microstructure, mechanical properties, and tribological properties were characterized using energy-dispersive X-ray spectroscopy (EDS, X-ray diffraction (XRD, field emission scanning electron microscope (FE-SEM, high resolution transmission electron microscopy (HRTEM, Raman spectrometry, nano-indentation, and high-temperature sliding wear tests. Results indicated that face-centered cubic (fcc NbN, hexagonal close-packed (hcp NbN and fcc Ag, amorphous C and amorphous CNx phase co-existed in the as-deposited NbCN-Ag films. After doping with 2.0 at.% Ag, the hardness and elastic modulus reached a maximum value of 33 GPa and 340 GPa, respectively. Tribological properties were enhanced by adding Ag in NbCN-Ag films at room temperature. When the test temperature rose from 300 to 500 °C, the addition of Ag was found beneficial for the friction properties, showing a lowest friction coefficient of ~0.35 for NbCN-12.9 at.% Ag films at 500 °C. This was mainly attributed to the existence of AgOx, NbOx, and AgNbOx lubrication phases that acted as solid lubricants to modify the wear mechanism.

New Insights into Understanding Irreversible and Reversible Lithium Storage within SiOC and SiCN Ceramics

Directory of Open Access Journals (Sweden)

Magdalena Graczyk-Zajac

2015-02-01

Full Text Available Within this work we define structural properties of the silicon carbonitride (SiCN and silicon oxycarbide (SiOC ceramics which determine the reversible and irreversible lithium storage capacities, long cycling stability and define the major differences in the lithium storage in SiCN and SiOC. For both ceramics, we correlate the first cycle lithiation or delithiation capacity and cycling stability with the amount of SiCN/SiOC matrix or free carbon phase, respectively. The first cycle lithiation and delithiation capacities of SiOC materials do not depend on the amount of free carbon, while for SiCN the capacity increases with the amount of carbon to reach a threshold value at ~50% of carbon phase. Replacing oxygen with nitrogen renders the mixed bond Si-tetrahedra unable to sequester lithium. Lithium is more attracted by oxygen in the SiOC network due to the more ionic character of Si-O bonds. This brings about very high initial lithiation capacities, even at low carbon content. If oxygen is replaced by nitrogen, the ceramic network becomes less attractive for lithium ions due to the more covalent character of Si-N bonds and lower electron density on the nitrogen atom. This explains the significant difference in electrochemical behavior which is observed for carbon-poor SiCN and SiOC materials.

ORF Alignment: NC_005085 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005085 gi|34497787 >1f39A 3 98 107 198 1e-23 ... gb|AAQ60004.1| SOS mutagenesis [C...hromobacterium violaceum ATCC 12472] ... ref|NP_902002.1| SOS mutagenesis [Chromobacterium ...

ORF Alignment: NC_006840 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006840 gi|59712585 >1bxwA 8 170 21 215 9e-07 ... ref|NP_800205.1| accessory colonization... factor AcfA [Vibrio parahaemolyticus RIMD ... 2210633] dbj|BAC62038.1| accessory colonization

ORF Alignment: NC_004605 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004605 gi|28900550 >1bxwA 8 170 21 215 9e-07 ... ref|NP_800205.1| accessory colonization... factor AcfA [Vibrio parahaemolyticus RIMD ... 2210633] dbj|BAC62038.1| accessory colonization

ORF Alignment: NC_006085 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006085 gi|50842772 >1qr0A 1 205 2 202 3e-27 ... ref|YP_055999.1| biosurfactants pr...oduction protein [Propionibacterium acnes ... KPA171202] gb|AAT83041.1| biosurfactants production ...

ORF Sequence: NC_002655 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002655 gi|15804385 >gi|15804385|ref|NP_290425.1| TDP-Fuc4NAc:lipidII transferase; synthesis of enterobac...terial common antigen (ECA) [Escherichia coli O157:H7 EDL933] MSLLQFSGLFVVWLLCTLFIA

ORF Alignment: NC_002678 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002678 gi|13474471 >1gkpA 2 454 5 422 3e-10 ... ref|NP_106039.1| creatinine deamin...ase [Mesorhizobium loti MAFF303099] ... dbj|BAB51825.1| creatinine deaminase [Mesorhizobium loti ...

ORF Alignment: NC_004463 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004463 gi|27381528 >1uzbA 40 515 6 475 3e-74 ... ref|NP_773057.1| vanillin: NAD ox...idoreductase [Bradyrhizobium japonicum USDA 110] ... dbj|BAC51682.1| vanillin: NAD oxidoreductase ...

ORF Alignment: NC_004463 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004463 gi|27377799 >1uzbA 40 515 5 474 3e-69 ... ref|NP_769328.1| vanillin: NAD ox...idoreductase [Bradyrhizobium japonicum USDA 110] ... dbj|BAC47953.1| vanillin: NAD oxidoreductase ...

ORF Alignment: NC_006361 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006361 gi|54024866 >1jmvA 2 140 154 297 6e-16 ... ref|YP_227183.1| UNIVERSAL STRESS...icum ATCC 13032] ... emb|CAF20967.1| UNIVERSAL STRESS PROTEIN FAMILY ... [Corynebacterium glut

ORF Alignment: NC_003450 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003450 gi|19554128 >1jmvA 2 140 154 297 6e-16 ... ref|YP_227183.1| UNIVERSAL STRESS...icum ATCC 13032] ... emb|CAF20967.1| UNIVERSAL STRESS PROTEIN FAMILY ... [Corynebacterium glut

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17546367 >1kgsA 3 221 7 234 1e-40 ... emb|CAD15350.1| PROBABLE OXIDATIVE STRESS... ... solanacearum] ref|NP_519769.1| PROBABLE OXIDATIVE STRESS ... RESISTANCE TWO-COMPONENT RESPON

ORF Alignment: NC_005027 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005027 gi|32475765 >1zrn0 11 219 5 254 2e-04 ... ref|NP_868759.1| N-acetylglucosamine-6-phosha... ... N-acetylglucosamine-6-phoshatase or p-nitrophenyl ... phosphatase [Pirellula sp.] ... Len

ORF Alignment: NC_002939 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002939 gi|39996821 >1v7zA 3 252 1 232 3e-42 ... ref|NP_952772.1| creatinine amidoh...ydrolase [Geobacter sulfurreducens PCA] ... gb|AAR35099.1| creatinine amidohydrolase [Geobacter ...

ORF Alignment: NC_003888 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003888 gi|21225320 >1k12A 3 151 580 722 8e-15 ... dbj|BAC69434.1| putative mycodextrana...se [Streptomyces avermitilis MA-4680] ... ref|NP_822899.1| putative mycodextranase [Streptomyces

ORF Alignment: NC_003888 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003888 gi|21225300 >1k12A 3 151 580 722 8e-15 ... dbj|BAC69434.1| putative mycodextrana...se [Streptomyces avermitilis MA-4680] ... ref|NP_822899.1| putative mycodextranase [Streptomyces

ORF Alignment: NC_002929 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002929 gi|33592999 >1kmoA 7 661 65 702 1e-60 ... ref|NP_880643.1| putative ferrisi...derophore receptor [Bordetella pertussis Tohama I] ... emb|CAE42244.1| putative ferrisiderophore rece

ORF Alignment: NC_002927 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002927 gi|33600770 >1kmoA 7 661 65 702 2e-60 ... ref|NP_888330.1| putative ferrisi...derophore receptor [Bordetella bronchiseptica RB50] ... emb|CAE32282.1| putative ferrisiderophore rec

ORF Alignment: NC_003888 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003888 gi|21219207 >1chkA 2 236 45 279 3e-87 ... ref|NP_624986.1| secreted chitosan...ase [Streptomyces coelicolor A3(2)] ... emb|CAB61194.1| secreted chitosanase [Streptomyces ...

ORF Alignment: NC_003911 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003911 gi|56696447 >1dlwA 19 115 21 125 4e-12 ... gb|AAV94850.1| protozoan/cyanoba...cterial globin family protein [Silicibacter ... pomeroyi DSS-3] ref|YP_166804.1| ... protozoan

ORF Alignment: NC_002977 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002977 gi|53804116 >1dlwA 19 113 26 120 5e-13 ... gb|AAU92168.1| protozoan/cyanoba...cterial globin family protein [Methylococcus ... capsulatus str. Bath] ref|YP_114018.1| ... protozoa

ORF Alignment: NC_005296 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005296 gi|39933534 >1rkd0 3 296 29 346 6e-36 ... emb|CAE25901.1| possible cabohydr...ate kinases [Rhodopseudomonas palustris CGA009] ... ref|NP_945810.1| possible cabohydrate kinases ...

ORF Alignment: NC_003296 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003296 gi|17548586 >1gkmA 10 504 26 526 e-118 ... ref|NP_521926.1| PROBABLE HISTIDINE AMMONIA...-LYASE PROTEIN [Ralstonia solanacearum ... GMI1000] emb|CAD17516.1| PROBABLE HISTIDINE ... AMMONIA

ORF Alignment: NC_003902 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003902 gi|21231422 >1iwlA 2 180 23 207 3e-47 ... ref|NP_637339.1| outer-membrane lipoproteins... ... gb|AAM41263.1| outer-membrane lipoproteins carrier ... protein precursor [Xanthomonas campest

76 FR 28727 - Child Nutrition (CN) Labeling Program; Request for Extension and Revision of a Currently Approved...

Science.gov (United States)

2011-05-18

... (CN) Labeling Program; Request for Extension and Revision of a Currently Approved Information... INFORMATION: Title: Child Nutrition Labeling Program. OMB Number: 0581-0261 . Expiration Date of Approval: 3... collection. Abstract: The Child Nutrition (CN) Labeling Program is a voluntary technical assistance service...

Analysis of the Runoff for Watershed Using SCS-CN Method and Geographic Information Systems

OpenAIRE

P.Sundar Kumar; Dr.M.J.Ratna Kanth Babu,; Dr. T.V.Praveen; Venkata kumar.vagolu

2010-01-01

The Soil Conservation Service Curve Number (SCS-CN) method is widely used for predicting direct runoff volume for a given rainfall event. The applicability of the SCS-CN method and the runoff generation mechanism were thoroughly analyzed in a Mediterranean experimental watershed in Hyderabad. The region is characterized by a Mediterranean semi-arid climate. A detailed land cover and soil survey using remote sensing and GIS techniques, showed that the watershed is dominated by coarse soils wit...

ORF Alignment: NC_003902 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_003902 gi|21232942 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_003919 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_003919 gi|21242877 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_004663 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_004663 gi|29348666 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_004578 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_004578 gi|28867366 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_005139 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_005139 gi|37678876 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_003919 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_003919 gi|21241391 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_006177 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_006177 gi|51892124 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_006349 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_006349 gi|53716793 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_006840 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_006840 gi|59711756 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_006370 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_006370 gi|54310137 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_003919 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_003919 gi|21243399 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_003869 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_003869 gi|20807352 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_006351 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_006351 gi|53722013 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_004459 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_004459 gi|27363966 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Alignment: NC_004461 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004461 gi|27467672 >1pwgA 4 344 72 389 1e-36 ... ref|NP_764309.1| autolysis and me...thicillin resistant-related protein [Staphylococcus ... epidermidis ATCC 12228] gb|AAO04351.1| autolysis

ORF Alignment: NC_006834 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ative regulator of cell autolysis [Desulfitobacterium ... hafniense DCB-2] ... Length = 127 ... Q... NC_006834 gi|58583632 >1i58A 23 189 289 415 6e-06 ... ref|ZP_00097900.1| COG3275: Put

ORF Sequence: NC_001136 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_001136 gi|6320573 >gi|6320573|ref|NP_010653.1| Nucleolar protein involved in pre-rRNA processing; deplet...ion causes severely decreased 18S rRNA levels; Esf1p [Saccharomyces cerevisiae] MAG

ORF Alignment: NC_000964 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000964 gi|16078891 >1jmkC 6 230 1056 1270 2e-59 ... ref|NP_389712.1| plipastatin s...ynthetase [Bacillus subtilis subsp. subtilis str. 168] ... emb|CAB13713.1| plipastatin synthetase [B

ORF Alignment: NC_006841 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006841 gi|59714046 >1gntA 1 552 1 553 0.0 ... ref|YP_206821.1| hydroxylamine reduc...tase [Vibrio fischeri ES114] gb|AAW87933.1| ... hydroxylamine reductase [Vibrio fischeri ES114] ...

ORF Alignment: NC_006677 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006677 gi|58039331 >1hxhA 1 247 2 262 8e-39 ... pir||JC7939 xylitol dehydrogenase ...(EC 1.1.1.-) - Gluconobacter oxydans (Strain ... ATCC621) dbj|BAC16227.1| xylitol dehydrogenase ...

ORF Alignment: NC_002570 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002570 gi|15612789 >1v7zA 3 254 1 238 1e-53 ... dbj|BAB03945.1| creatinine amidohy...drolase [Bacillus halodurans C-125] ... ref|NP_241092.1| creatinine amidohydrolase [Bacillus ...

ORF Alignment: NC_004463 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004463 gi|27377041 >1xewY 1 130 1026 1153 2e-37 ... ref|NP_248653.1| chromosome segreta...tion protein (smc1) [Methanocaldococcus ... jannaschii DSM 2661] gb|AAB99663.1| chromosome ... segreta

ORF Alignment: NC_000909 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000909 gi|15669839 >1gxlA 2 204 475 685 1e-34 ... ref|NP_248653.1| chromosome segreta...tion protein (smc1) [Methanocaldococcus ... jannaschii DSM 2661] gb|AAB99663.1| chromosome ... segreta

ORF Alignment: NC_003237 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003237 gi|19075000 >1xewY 1 130 1026 1153 2e-37 ... ref|NP_248653.1| chromosome segreta...tion protein (smc1) [Methanocaldococcus ... jannaschii DSM 2661] gb|AAB99663.1| chromosome ... segreta

ORF Alignment: NC_000909 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000909 gi|15669839 >1xewY 1 130 1026 1153 2e-37 ... ref|NP_248653.1| chromosome segreta...tion protein (smc1) [Methanocaldococcus jannaschii ... DSM 2661] gb|AAB99663.1| chromosome segreta

ORF Alignment: NC_003485 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003485 gi|19746967 >1g5aA 98 625 11 538 6e-94 ... gb|AAL98602.1| putative dextran ...glucosidase [Streptococcus pyogenes MGAS8232] ... ref|NP_608103.1| putative dextran glucosidase ...

ORF Alignment: NC_005090 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005090 gi|34556965 >1mzbA 1 134 1 130 7e-21 ... ref|NP_906780.1| PEROXIDE STRESS R...EGULATOR [Wolinella succinogenes DSM 1740] ... emb|CAE09680.1| PEROXIDE STRESS REGULATOR [Wolinella ...

ORF Alignment: NC_006395 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006395 gi|55376664 >1v7zA 1 249 5 243 8e-44 ... ref|YP_134515.1| creatinine amidoh...ydrolase [Haloarcula marismortui ATCC 43049] ... gb|AAV44809.1| creatinine amidohydrolase [Haloarcula

ORF Alignment: NC_005296 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005296 gi|39933548 >1v7zA 10 254 14 256 2e-44 ... emb|CAE25915.1| putative creatin...e amidohydrolase [Rhodopseudomonas palustris ... CGA009] ref|NP_945824.1| putative creatine ...

ORF Alignment: NC_002928 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002928 gi|33596750 >1v7zA 3 253 1 251 8e-40 ... ref|NP_884393.1| putative creatini...ne amidohydrolase [Bordetella parapertussis 12822] ... emb|CAE37436.1| putative creatinine amidohydro

ORF Alignment: NC_006576 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006576 gi|56750058 >1v7zA 4 251 11 256 7e-49 ... ref|YP_170759.1| creatinine amido...hydrolase [Synechococcus elongatus PCC 6301] ... dbj|BAD78239.1| creatinine amidohydrolase [Synechoco

ORF Alignment: NC_006395 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006395 gi|55376890 >1v7zA 5 250 13 257 5e-37 ... ref|YP_134741.1| creatinine amido...hydrolase [Haloarcula marismortui ATCC 43049] ... gb|AAV45035.1| creatinine amidohydrolase [Haloarcul

ORF Alignment: NC_004311 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004311 gi|23500710 >1v7zA 10 254 1 242 2e-43 ... gb|AAN34155.1| creatinine amidohy...drolase, putative [Brucella suis 1330] ... ref|NP_700150.1| creatinine amidohydrolase, putative ...

ORF Alignment: NC_002771 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002771 gi|15829246 >1nm8A 15 579 43 592 3e-82 ... ref|NP_326606.1| CARNITINE O-ACE...TYLTRANSFERASE [Mycoplasma pulmonis UAB CTIP] ... emb|CAC13948.1| CARNITINE O-ACETYLTRANSFERASE ...

ORF Alignment: NC_006677 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006677 gi|58039110 >1kmoA 11 661 79 730 2e-52 ... ref|YP_191074.1| Hydroxamate-type ferris...iderophore receptor [Gluconobacter oxydans ... 621H] gb|AAW60418.1| Hydroxamate-type ferrisid

ORF Alignment: NC_006677 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006677 gi|58039006 >1kmoA 12 661 92 773 1e-43 ... ref|YP_190970.1| Hydroxamate-type ferris...iderophore receptor [Gluconobacter oxydans ... 621H] gb|AAW60314.1| Hydroxamate-type ferrisid

ORF Alignment: NC_006370 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006370 gi|54310050 >1r0wC 43 281 30 288 6e-50 ... ref|YP_131070.1| putative ABC-type oligopeptide transport...putative ... ABC-type oligopeptide transportsystem, ATPase component ... [Photobacterium profu

ORF Alignment: NC_006361 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006361 gi|54022220 >1y7yA 7 68 12 73 3e-05 ... ref|YP_132230.1| hypotethical trans...criptional regulator [Photobacterium profundum ... SS9] emb|CAG22430.1| hypotethical transcriptional ...

ORF Sequence: NC_001141 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_001141 gi|6322114 >gi|6322114|ref|NP_012189.1| Part of a heptameric protein complex that regulates retro...grade Golgi-to-ER protein traffic in eukaryotic cells; coatomer forms the COP I ves

ORF Alignment: NC_005085 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005085 gi|34499386 >1qgiA 1 259 102 360 4e-95 ... gb|AAQ61593.1| probable chitosan...ase A [Chromobacterium violaceum ATCC 12472] ... ref|NP_903601.1| probable chitosanase A [Chromobacte

ORF Alignment: NC_006274 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006274 gi|52142820 >1kwfA 3 362 53 435 5e-85 ... ref|YP_084010.1| chitosanase; gly...cosyl hydrolases family 8; endoglucanase [Bacillus ... cereus ZK] gb|AAU17839.1| chitosanase; glycosy

ORF Alignment: NC_006348 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006348 gi|53725407 >1dlwA 1 115 25 145 1e-19 ... ref|YP_103467.1| protozoan/cyanob...acterial globin family protein [Burkholderia mallei ... ATCC 23344] gb|AAU49423.1| protozoan/cyanobac

ORF Alignment: NC_002976 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002976 gi|57866545 >1dlwA 19 115 47 146 6e-19 ... ref|YP_188173.1| protozoan/cyano...bacterial globin family protein [Staphylococcus ... epidermidis RP62A] gb|AAW53991.1| ... protozoa

ORF Alignment: NC_002951 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002951 gi|57650195 >1dlwA 19 115 21 120 3e-19 ... ref|YP_185875.1| protozoan/cyano...bacterial globin family protein [Staphylococcus ... aureus subsp. aureus COL] gb|AAW36475.1| ... protozoa

ORF Alignment: NC_006350 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006350 gi|53718816 >1dlwA 1 115 25 145 1e-19 ... ref|YP_103467.1| protozoan/cyanob...acterial globin family protein [Burkholderia mallei ... ATCC 23344] gb|AAU49423.1| protozoan/cyanobac

ORF Alignment: NC_006087 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006087 gi|50955733 >1exqA 11 145 176 318 6e-09 ... ref|YP_063021.1| transposase, undefined... [Leifsonia xyli subsp. xyli str. CTCB07] ... gb|AAT89916.1| transposase, undefined [Leifsoni

ORF Alignment: NC_004668 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004668 gi|29376585 >1pq4B 1 288 29 305 1e-52 ... ref|NP_815739.1| endocarditis spe...cific antigen [Enterococcus faecalis V583] ... gb|AAO81809.1| endocarditis specific antigen ...

ORF Alignment: NC_000921 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000921 gi|15612352 >1mwmA 3 314 14 329 4e-45 ... ref|NP_224005.1| ROD SHAPE-DETERMINING... PROTEIN [Helicobacter pylori J99] ... gb|AAD06861.1| ROD SHAPE-DETERMINING PROTEIN ... [

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17544778 >1mwmA 4 314 14 329 3e-49 ... emb|CAD13587.1| PROBABLE ROD SHAPE-DETERMINING... PROTEIN [Ralstonia solanacearum] ... ref|NP_518180.1| PROBABLE ROD SHAPE-DETERMINING PR

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17548082 >1wcv1 2 241 2 249 7e-27 ... emb|CAD16862.1| PROBABLE SEPTUM SITE-DETERMINING... PROTEIN MIND [Ralstonia ... solanacearum] ref|NP_521484.1| PROBABLE SEPTUM ... SITE-DETERMINING

ORF Alignment: NC_003295 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003295 gi|17547375 >1v4aA 29 433 25 452 2e-95 ... emb|CAD16363.1| PROBABLE GLUTAMATE-AMMONIA... ... [Ralstonia solanacearum] ref|NP_520777.1| PROBABLE ... GLUTAMATE-AMMONIA-LIGASE ADENYLYLTRANSFERAS

ORF Alignment: NC_003317 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003317 gi|17987610 >1v4aA 20 435 2 420 e-106 ... gb|AAL52508.1| GLUTAMATE-AMMONIA-...LIGASE ADENYLYLTRANSFERASE [Brucella melitensis ... 16M] ref|NP_540244.1| GLUTAMATE-AMMONIA-LIGASE ...

ORF Alignment: NC_005126 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005126 gi|37525549 >1iwlA 1 182 22 203 4e-57 ... ref|NP_928893.1| outer-membrane lipoproteins... ... emb|CAE13895.1| outer-membrane lipoproteins carrier ... protein precursor (P20) [Photorhabdus

ORF Alignment: NC_004603 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004603 gi|28897880 >1iwlA 4 181 30 207 4e-54 ... ref|NP_797485.1| outer membrane lipoproteins... carrier protein [Vibrio ... parahaemolyticus RIMD 2210633] dbj|BAC59369.1| outer ... membrane lipoproteins

ORF Alignment: NC_005966 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005966 gi|50085964 >1iwlA 2 180 37 230 6e-44 ... ref|YP_047474.1| outer-membrane lipoproteins... carrier protein [Acinetobacter sp. ... ADP1] emb|CAG69652.1| outer-membrane lipoproteins

ORF Alignment: NC_005139 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005139 gi|37679507 >1iwlA 4 181 20 197 6e-54 ... ref|NP_934116.1| outer membrane lipoproteins...tein ... carrier protein precursor dbj|BAC94087.1| outer membrane ... lipoproteins carrier pro

ORF Alignment: NC_005085 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005085 gi|34497069 >1iwlA 2 178 25 203 1e-46 ... gb|AAQ59290.1| outer membrane lipoproteins... carrier protein [Chromobacterium ... violaceum ATCC 12472] ref|NP_901284.1| outer membrane ... lipoproteins

[Fe(III)(dmbpy)(CN)4]-: a new building block for designing single-chain magnets.

Science.gov (United States)

Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel

2012-11-28

We herein present the synthesis and magneto-structural study of a new family of heterobimetallic chains of general formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n)·pnH(2)O [dmbpy = 4,4'-dimethyl-2,2'-bipyridine; M = Mn (2), Cu (3), Ni (4) and Co (5) with p = 4 (2), 3 (3), 9 (4) and 3.5 (5)] which were prepared by using the mononuclear PPh(4)[Fe(III)(dmbpy)(CN)(4)]·3H(2)O (1) building block (PPh(4)(+) = tetraphenylphosphonium) as a ligand toward fully solvated M(II) ions. The structure of 1 consists of discrete [Fe(III)(dmbpy)(CN)(4)](-) anions, tetraphenylphosphonium cations and noncoordinated water molecules. Complexes 2-5 are isostructural compounds whose structure consists of neutral 4,2-wave like heterobimetallic chains of formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n) where the [Fe(III)(dmbpy)(CN)(4)](-) entity adopts a bis-monodentate coordination mode toward trans-[M(II)(H(2)O)(2)] units through two of its four cyanide groups in cis positions. 1 exhibits the magnetic behaviour of magnetically isolated six-coordinate low-spin Fe(III) complexes with an important orbital contribution. 2 behaves as ferrimagnetic Fe(III)(2)Mn(II) chains, whereas 3-5 exhibit intrachain ferromagnetic couplings between the low-spin Fe(III) and either Cu(II) (3), Ni (4) or Co(II) (5) as well as frequency-dependence of the out-of-phase ac susceptibility signals below 3.0 (3), 5.5 (4) and 5.0 K (5). The relaxation time and the energy to reverse the magnetization of 3-5 are related to the anisotropy of the M(II) center and to the intra- and interchain magnetic interactions. Unprecedentedly in the world of cyanide-bearing complexes, 5 exhibits a double slow relaxation of the magnetization.

Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis

International Nuclear Information System (INIS)

Sun Wei; Huang, Guo H.; Zeng Guangming; Qin Xiaosheng; Yu Hui

2011-01-01

It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH 4 + -N concentration > Moisture content > Ash Content > Mean Temperature > Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. - Research Highlights: → A genetic algorithm aided stepwise cluster analysis method in food waste composting. → Nonlinear relationships between the selected state variables and the C/N ratio. → Introduced proxy tables save around 70% computational

Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis

Energy Technology Data Exchange (ETDEWEB)

Sun Wei [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada); Huang, Guo H., E-mail: huangg@iseis.org [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada); MOE Key Laboratory of Regional Energy Systems Optimization, Sino-Canada Energy and Environmental Research Academy, North China Electric Power University, Beijing, 102206 (China); Zeng Guangming [MOE Key Laboratory of Environmental Biology and Pollution Control, College of Environmental Science and Engineering, Hunan University, Changsha, Hunan, 410082 (China); Qin Xiaosheng [School of Civil and Environmental Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Yu Hui [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada)

2011-03-01

It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH{sub 4}{sup +}-N concentration > Moisture content > Ash Content > Mean Temperature > Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. - Research Highlights: {yields} A genetic algorithm aided stepwise cluster analysis method in food waste composting. {yields} Nonlinear relationships between the selected state variables and the C/N ratio. {yields} Introduced proxy tables

Ring-Opening Cycloaddition of Aziridines to Ketenimines.

Science.gov (United States)

Maas, Heiko; Bensimon, Corinne; Alper, Howard

1998-01-09

The Lewis acid-catalyzed addition of aziridines to ketenimines gave substituted pyrrolidonimines in 47-87% yields. The hard Lewis acid LiClO(4) proved to be superior to the soft [(PhCN)(2)PdCl(2)], affording higher yields under milder conditions. The reaction is regioselective and occurs with complete stereoselectivity using [(PhCN)(2)PdCl(2)] and with a small amount of racemization in the case of LiClO(4).

Determination of the equilibrium constant of FeZrCl6 formation from FeCl3 and ZrCl4

International Nuclear Information System (INIS)

Berdonosov, S.S.; Kharisov, B.I.; Nikitin, M.I.

1992-01-01

Equilibrium pressures of chlorine formed in the course of reaction FeCl 3 +ZrCl 4 ↔ FeZrCl 6 +0.5 Cl 2 were determined at the temperatures of 250-325 deg C. The values of equilibrium constant K p of the reaction mentioned at the temperatures of 250, 275, 300 and 325 deg were calculated, taking into consideration the determined values of p Cl2 and literature data on equilibrium pressures of ZrCl 4 and FeCl 3 vapours

Complete Genome Sequence of Bacillus velezensis CN026 Exhibiting Antagonistic Activity against Gram-Negative Foodborne Pathogens

OpenAIRE

Nannan, Catherine; Gillis, Annika; Caulier, Simon; Mahillon, Jacques

2018-01-01

ABSTRACT We report here the complete genome sequence of Bacillus velezensis strain CN026, a member of the B. subtilis group, which is known for its many industrial applications. The genome contains 3,995,812 bp and displays six gene clusters potentially involved in strain CN026’s activity against Gram-negative foodborne pathogens.

Reacción de ligandos azufrados con el complejo au2pt (ch2p(Sph24,cl2

Directory of Open Access Journals (Sweden)

Guillermo Garzón

2010-07-01

Full Text Available Se describe la reacción de intercambio del cloro en el complejo au2pt (ch2p(Sph24,cl2 por los ligandos SCH2Ph-,S2CN(CH2CH3,2- y SCN-. Los nuevos derivados azufrados se caracterizan por análisis químico, espectroscopia infrarroja, electrónica y resonancia magnética nuclear protónica. Los ligandos se coordinan por el azufre a los dos átomos sw oro metálico en forma simétrica. El análisis elemental concuerda con las estequiomctrías y estructuras propuestas.

iCN718, an Updated and Improved Genome-Scale Metabolic Network Reconstruction of Acinetobacter baumannii AYE.

Science.gov (United States)

Norsigian, Charles J; Kavvas, Erol; Seif, Yara; Palsson, Bernhard O; Monk, Jonathan M

2018-01-01

Acinetobacter baumannii has become an urgent clinical threat due to the recent emergence of multi-drug resistant strains. There is thus a significant need to discover new therapeutic targets in this organism. One means for doing so is through the use of high-quality genome-scale reconstructions. Well-curated and accurate genome-scale models (GEMs) of A. baumannii would be useful for improving treatment options. We present an updated and improved genome-scale reconstruction of A. baumannii AYE, named iCN718, that improves and standardizes previous A. baumannii AYE reconstructions. iCN718 has 80% accuracy for predicting gene essentiality data and additionally can predict large-scale phenotypic data with as much as 89% accuracy, a new capability for an A. baumannii reconstruction. We further demonstrate that iCN718 can be used to analyze conserved metabolic functions in the A. baumannii core genome and to build strain-specific GEMs of 74 other A. baumannii strains from genome sequence alone. iCN718 will serve as a resource to integrate and synthesize new experimental data being generated for this urgent threat pathogen.

Synthesis, crystal structure, and vibrational spectra of the anhydrous lithium dicyanamide Li[N(CN){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Reckeweg, Olaf [Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301 (United States); Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); DiSalvo, Francis J. [Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301 (United States); Schulz, Armin [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Blaschkowski, Bjoern; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); Jagiella, Stefan [Institut fuer Physikalische und Theoretische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany)

2014-04-15

Crystals of Li[N(CN){sub 2}] were synthesized from a metathesis reaction of stoichiometric amounts of aqueous solutions of Na[N(CN){sub 2}] and Li{sub 2}[SO{sub 4}] followed by subsequent treatment with ethanol and evaporation of the filtered-off solution at 80 C under normal atmospheric conditions. The single crystals of the title compound are transparent, colorless, and extremly hygroscopic. X-ray structure analysis showed that Li[N(CN){sub 2}] crystallizes in the monoclinic space group P2/c with the cell parameters a = 530.79(8) pm, b = 524.89(9) pm, c = 1149.77(17) pm, β = 101.551(7) , and Z = 4. The crystal structure contains Li{sup +} cations in both tetrahedral and octahedral nitrogen coordination of the boomerang-shaped [N≡C-N-C≡N]{sup -} anions. The vibrational spectra of Li[N(CN){sub 2}] are reported as well, together with ab initio calculations for geometry and harmonic frequencies of the free dicyanamide anion. (Copyright copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

ORF Alignment: NC_004331 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004331 gi|23619306 >1wfiA 3 125 209 328 1e-34 ... ref|NP_705268.1| nuclear movement... protein, putative [Plasmodium falciparum 3D7] ... emb|CAD52505.1| nuclear movement protein, putativ

ORF Alignment: NC_003911 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003911 gi|56698151 >1wy2A 3 347 27 396 7e-44 ... gb|AAV96554.1| creatinase [Silici...bacter pomeroyi DSS-3] ref|YP_168523.1| ... creatinase [Silicibacter pomeroyi DSS-3] ... Length

ORF Alignment: NC_003366 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003366 gi|18309739 >1v7zA 1 255 3 250 3e-61 ... dbj|BAB80463.1| creatinase [Clostr...idium perfringens str. 13] ref|NP_561673.1| ... creatinase [Clostridium perfringens str. 13] ...

ORF Alignment: NC_005090 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005090 gi|34557929 >1kmoA 12 661 39 664 3e-52 ... ref|NP_907744.1| RECEPTOR PRECURSOR-Most...ly Fe transport [Wolinella succinogenes DSM ... 1740] emb|CAE10644.1| RECEPTOR PRECURSOR-Most

ORF Alignment: NC_003155 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003155 gi|29828632 >1w1oA 22 489 11 408 6e-19 ... dbj|BAC69801.1| putative xylitol... oxidase [Streptomyces avermitilis MA-4680] ... ref|NP_823266.1| putative xylitol oxidase [Streptomyc

ORF Alignment: NC_004605 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004605 gi|28900808 >1l3wA 6 536 1265 1798 3e-11 ... ref|NP_800463.1| putative biofilm...-associated surface protein [Vibrio parahaemolyticus ... RIMD 2210633] dbj|BAC62296.1| putative biofilm

ORF Alignment: NC_003070 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003070 gi|15221381 >1bq00 2 77 15 90 4e-20 ... ref|NP_177004.1| gravity-responsive... protein / altered response to gravity protein ... (ARG1) [Arabidopsis thaliana] gb|AAD13758.1| Altere

ORF Alignment: NC_000909 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000909 gi|15669839 >1ii8A 3 194 4 202 2e-10 ... ref|NP_248653.1| chromosome segreta...tion protein (smc1) [Methanocaldococcus ... jannaschii DSM 2661] gb|AAB99663.1| chromosome ... segreta

ORF Alignment: NC_002947 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002947 gi|26990072 >1uzbA 37 513 3 472 6e-68 ... ref|NP_745497.1| vanillin dehydro...genase [Pseudomonas putida KT2440] gb|AAN68961.1| ... vanillin dehydrogenase [Pseudomonas putida KT24

ORF Alignment: NC_002737 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002737 gi|15675767 >1g5aA 89 627 2 535 3e-86 ... gb|AAK34662.1| dextran glucosidas...e [Streptococcus pyogenes M1 GAS] ... ref|NP_269941.1| dextran glucosidase [Streptococcus ...

ORF Alignment: NC_003485 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003485 gi|19746879 >1g5aA 89 627 2 535 1e-86 ... gb|AAL98514.1| putative dextran g...lucosidase [Streptococcus pyogenes MGAS8232] ... ref|NP_608015.1| putative dextran glucosidase ...

ORF Alignment: NC_002737 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002737 gi|15675852 >1g5aA 98 625 11 538 9e-95 ... gb|AAK34747.1| putative dextran ...glucosidase [Streptococcus pyogenes M1 GAS] ... ref|NP_270026.1| putative dextran glucosidase ...

ORF Alignment: NC_002927 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002927 gi|33600518 >1v7zA 3 253 1 251 1e-39 ... ref|NP_888078.1| putative creatini...ne amidohydrolase [Bordetella bronchiseptica RB50] ... emb|CAE32030.1| putative creatinine amidohydro

ORF Alignment: NC_000853 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000853 gi|15643179 >1v7zA 3 256 7 270 9e-43 ... ref|NP_228223.1| creatinine amidoh...ydrolase, putative [Thermotoga maritima MSB8] ... gb|AAD35498.1| creatinine amidohydrolase, putative

ORF Alignment: NC_004307 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004307 gi|23464642 >1v7zA 5 255 7 250 1e-55 ... ref|NP_695245.1| creatinine amidohydrolase; creatin...inase [Bifidobacterium longum ... NCC2705] gb|AAN23881.1| creatinine amidohydrolase; ... creatin

ORF Alignment: NC_002944 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002944 gi|41407994 >4uagA 7 413 12 470 1e-38 ... ref|NP_960830.1| MurC [Mycobacter... ... ligase (UDP-N-acetylmuramoyl-L-alanine synthetase) ... gb|AAS04213.1| MurC [Mycobacterium

ORF Alignment: NC_002678 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002678 gi|13471241 >1u07A 13 88 186 259 1e-09 ... emb|CAE28917.1| possible energy ...transducer TonB [Rhodopseudomonas palustris ... CGA009] ref|NP_948814.1| possible energy transducer ...

ORF Alignment: NC_000117 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000117 gi|15605507 >2bjiA 3 266 5 313 9e-29 ... ref|NP_220293.1| Sulfite Synthesis.../biphosphate phosphatase [Chlamydia trachomatis ... D/UW-3/CX] gb|AAC68369.1| Sulfite Synthesis/bipho

ORF Alignment: NC_003280 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003280 gi|25149956 >1qauA 5 99 56 151 2e-04 ... gb|AAN38752.1| axon identity speci...rm b ... [Caenorhabditis elegans] ref|NP_495592.2| SYnapse ... Defective SYD-1, axon identity

ORF Alignment: NC_004722 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004722 gi|30021592 >1vkpA 12 368 2 333 2e-83 ... ref|NP_833223.1| Agmatine deimina...se [Bacillus cereus ATCC 14579] gb|AAP10424.1| ... Agmatine deiminase [Bacillus cereus ATCC 14579] ...

ORF Alignment: NC_002952 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002952 gi|49483165 >1dlwA 19 115 21 120 3e-19 ... ref|YP_040389.1| protozoan/cyano...bacterial globin family protein [Staphylococcus ... aureus subsp. aureus MRSA252] emb|CAG39975.1| ... protozoa

ORF Alignment: NC_005090 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005090 gi|34556511 >1mwmA 3 314 14 327 1e-46 ... ref|NP_906326.1| PUTATIVE ROD SHAPE-DETERMINING... PROTEIN [Wolinella succinogenes DSM ... 1740] emb|CAE09226.1| PUTATIVE ROD SHAPE-DETERMINING

ORF Alignment: NC_000921 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_000921 gi|15611661 >1vdkA 1 460 2 461 e-141 ... ref|NP_223312.1| ASPARTATE AMMONIA...-LYASE [Helicobacter pylori J99] gb|AAD06167.1| ... ASPARTATE AMMONIA-LYASE [Helicobacter pylori J99

ORF Alignment: NC_003317 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003317 gi|17986393 >1vdkA 1 459 12 469 e-123 ... gb|AAL51291.1| ASPARTATE AMMONIA-...LYASE [Brucella melitensis 16M] ref|NP_539027.1| ... ASPARTATE AMMONIA-LYASE [Brucella melitensis 16M

ORF Alignment: NC_006348 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006348 gi|53726032 >1iwlA 3 178 47 236 2e-42 ... ref|YP_109199.1| probable outer-membrane lipoproteins... ATCC 23344] ... emb|CAH36611.1| probable outer-membrane lipoproteins ... carrier protein [Bur

ORF Alignment: NC_006840 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006840 gi|59711513 >1iwlA 4 181 21 198 9e-49 ... ref|YP_204289.1| outer-membrane lipoproteins... carrier protein [Vibrio fischeri ES114] ... gb|AAW85401.1| outer-membrane lipoproteins ca

ORF Alignment: NC_006350 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006350 gi|53720213 >1iwlA 3 178 47 236 2e-42 ... ref|YP_109199.1| probable outer-membrane lipoproteins... ATCC 23344] ... emb|CAH36611.1| probable outer-membrane lipoproteins ... carrier protein [Bur

Quantitative and sensitive analysis of CN molecules using laser induced low pressure He plasma

Energy Technology Data Exchange (ETDEWEB)

Pardede, Marincan [Department of Electrical Engineering, University of Pelita Harapan, 1100 M.H. Thamrin Boulevard, Lippo Village, Tangerang 15811 (Indonesia); Hedwig, Rinda [Department of Computer Engineering, Bina Nusantara University, 9 K.H. Syahdan, Jakarta 14810 (Indonesia); Abdulmadjid, Syahrun Nur; Lahna, Kurnia; Idris, Nasrullah; Ramli, Muliadi [Department of Physics, Faculty of Mathematics and Natural Sciences, Syiah Kuala University, Darussalam, Banda Aceh 23111, NAD (Indonesia); Jobiliong, Eric [Department of Industrial Engineering, University of Pelita Harapan, 1100 M.H. Thamrin Boulevard, Lippo Village, Tangerang 15811 (Indonesia); Suyanto, Hery [Department of Physics, Faculty of Mathematics and Natural Sciences, Udayana University, Kampus Bukit Jimbaran, Denpasar 80361, Bali (Indonesia); Marpaung, Alion Mangasi [Department of Physics, Faculty of Mathematics and Natural Sciences, Jakarta State University, 10 Rawamangun, Jakarta 13220 (Indonesia); Suliyanti, Maria Margaretha [Research Center for Physics, Indonesia Institute of Sciences, Kawasan Puspiptek, Serpong, Tangerang Selatan, 15314 Banten (Indonesia); Tjia, May On [Physics of Magnetism and Photonics Group, Faculty of Mathematics and Natural Sciences, Bandung Institute of Technology, 10 Ganesha, Bandung 40132 (Indonesia); Research Center of Maju Makmur Mandiri Foundation, 40/80 Srengseng Raya, Jakarta 11630 (Indonesia); Lie, Tjung Jie; Lie, Zener Sukra; Kurniawan, Davy Putra; Kurniawan, Koo Hendrik, E-mail: kurnia18@cbn.net.id [Research Center of Maju Makmur Mandiri Foundation, 40/80 Srengseng Raya, Jakarta 11630 (Indonesia); Kagawa, Kiichiro [Research Center of Maju Makmur Mandiri Foundation, 40/80 Srengseng Raya, Jakarta 11630 (Indonesia); Fukui Science Education Academy, Takagi Chuou 2 choume, Fukui 910-0804 (Japan)

2015-03-21

We report the results of experimental study on CN 388.3 nm and C I 247.8 nm emission characteristics using 40 mJ laser irradiation with He and N{sub 2} ambient gases. The results obtained with N{sub 2} ambient gas show undesirable interference effect between the native CN emission and the emission of CN molecules arising from the recombination of native C ablated from the sample with the N dissociated from the ambient gas. This problem is overcome by the use of He ambient gas at low pressure of 2 kPa, which also offers the additional advantages of cleaner and stronger emission lines. The result of applying this favorable experimental condition to emission spectrochemical measurement of milk sample having various protein concentrations is shown to yield a close to linear calibration curve with near zero extrapolated intercept. Additionally, a low detection limit of 5 μg/g is found in this experiment, making it potentially applicable for quantitative and sensitive CN analysis. The visibility of laser induced breakdown spectroscopy with low pressure He gas is also demonstrated by the result of its application to spectrochemical analysis of fossil samples. Furthermore, with the use of CO{sub 2} ambient gas at 600 Pa mimicking the Mars atmosphere, this technique also shows promising applications to exploration in Mars.

ORF Alignment: NC_005085 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005085 gi|34495619 >1t06A 1 193 1 205 2e-24 ... gb|AAQ57843.1| DNA alkylation repa...ir enzyme [Chromobacterium violaceum ATCC 12472] ... ref|NP_899834.1| DNA alkylation repair enzyme ...

ORF Alignment: NC_004307 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004307 gi|23466169 >1u94A 19 326 67 387 5e-28 ... ref|NP_696772.1| alkylation dama...ge repair protein [Bifidobacterium longum NCC2705] ... gb|AAN25408.1| alkylation damage repair protei

ORF Alignment: NC_005027 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005027 gi|32477023 >1t06A 1 191 9 220 1e-24 ... ref|NP_870017.1| probable DNA alkylation... repair enzyme [Rhodopirellula baltica SH 1] ... emb|CAD79170.1| probable DNA alkylation repair

ORF Alignment: NC_004350 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004350 gi|24378587 >1t06A 1 191 11 210 3e-32 ... gb|AAN57848.1| DNA alkylation rep...air enzyme [Streptococcus mutans UA159] ... ref|NP_720542.1| DNA alkylation repair enzyme ...

ORF Alignment: NC_002945 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002945 gi|31791180 >1ii8A 1 187 1 168 2e-14 ... ref|NP_853673.1| DNA REPLICATION A...D92865.1| ... DNA REPLICATION AND REPAIR PROTEIN RECF (SINGLE-STRAND ... DNA BINDING PROTEIN)

ORF Alignment: NC_003317 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003317 gi|17987645 >1j1vA 4 94 20 109 8e-10 ... gb|AAL52543.1| CHROMOSOMAL REPLICATION... INITIATOR PROTEIN DNAA [Brucella melitensis ... 16M] ref|NP_540279.1| CHROMOSOMAL REPLICATION IN

ORF Alignment: NC_003232 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003232 gi|19173617 >1ltlE 7 224 22 242 3e-38 ... ref|NP_597420.1| DNA REPLICATION ...LICENSING FACTOR OF THE MCM FAMILY (MCM6) ... [Encephalitozoon cuniculi] emb|CAD26597.1| DNA ... REPLICATION

ORF Alignment: NC_003071 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003071 gi|18403860 >1rl1A 4 90 215 300 7e-09 ... ref|NP_705268.1| nuclear movement... protein, putative [Plasmodium falciparum 3D7] ... emb|CAD52505.1| nuclear movement protein, putative

ORF Alignment: NC_003902 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003902 gi|21229523 >1p6rA 5 81 4 80 4e-10 ... ref|NP_635440.1| methicillin resista...nce protein [Xanthomonas campestris pv. ... campestris str. ATCC 33913] gb|AAM39364.1| methicillin ...

ORF Alignment: NC_003919 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003919 gi|21240843 >1p6rA 5 81 4 80 8e-10 ... gb|AAM34961.1| methicillin resistanc...e protein [Xanthomonas axonopodis pv. citri ... str. 306] ref|NP_640425.1| methicillin resistance ...

ORF Alignment: NC_002952 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002952 gi|49483221 >1pwgA 4 329 74 373 1e-38 ... ref|YP_040445.1| autolysis and me...thicillin resistant-related protein [Staphylococcus ... aureus subsp. aureus MRSA252] emb|CAG40034.1| autolysis

ORF Alignment: NC_002947 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002947 gi|26990378 >1wy2A 3 347 23 393 2e-45 ... ref|NP_745803.1| creatinase [Pseu...domonas putida KT2440] gb|AAN69267.1| creatinase ... [Pseudomonas putida KT2440] ... Length = 3

ORF Alignment: NC_002946 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002946 gi|59800954 >1ub4B 4 109 2 113 3e-22 ... ref|YP_207666.1| putative plasmid stable inheritance... ... gb|AAW89254.1| putative plasmid stable inheritance ... protein putative phage associated prote

ORF Alignment: NC_002745 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002745 gi|15925959 >1kolA 35 389 28 338 2e-04 ... dbj|BAB56418.1| similar to xylitol... ... SA0246 [Staphylococcus aureus subsp. aureus N315] ... ref|NP_370780.1| similar to xylitol

ORF Alignment: NC_002758 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002758 gi|15923246 >1kolA 35 389 28 338 2e-04 ... dbj|BAB56418.1| similar to xylitol... ... SA0246 [Staphylococcus aureus subsp. aureus N315] ... ref|NP_370780.1| similar to xylitol

ORF Alignment: NC_005296 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_005296 gi|39936538 >1u07A 13 88 186 259 1e-09 ... emb|CAE28917.1| possible energy ...transducer TonB [Rhodopseudomonas palustris CGA009] ... ref|NP_948814.1| possible energy transducer T

ORF Alignment: NC_003075 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003075 gi|30692533 >3ullA 5 115 1 104 8e-18 ... ref|YP_063478.1| ssb1 [Campylobact...er jejuni] gb|AAR29567.1| ssb1 [Campylobacter ... jejuni] ... Length = 104 ... Query: 31 ... GQDSDVS

ORF Alignment: NC_003070 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003070 gi|42572131 >1ig6A 3 105 144 247 2e-18 ... ref|NP_177777.3| ARID/BRIGHT DNA...-binding domain-containing protein [Arabidopsis ... thaliana] ref|NP_974156.1| ARID/BRIGHT DNA-bindin

ORF Alignment: NC_003070 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003070 gi|42563264 >1ig6A 3 105 144 247 2e-18 ... ref|NP_177777.3| ARID/BRIGHT DNA...-binding domain-containing protein [Arabidopsis ... thaliana] ref|NP_974156.1| ARID/BRIGHT DNA-bindin

ORF Alignment: NC_003106 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003106 gi|15922820 >1n62B 24 793 4 684 e-115 ... ref|NP_378489.1| hypothetical nicotine... dehydrogenase subunit C [Sulfolobus tokodaii ... str. 7] dbj|BAB67598.1| 685aa long hypothetical nicotine

ORF Alignment: NC_006509 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006509 gi|56410456 >1n62C 1 286 1 287 4e-70 ... ref|YP_145830.1| nicotine dehydrog...enase chain A [Geobacillus kaustophilus HTA426] ... dbj|BAD74262.1| nicotine dehydrogenase chain A ...

ORF Alignment: NC_004310 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004310 gi|23502014 >1y7mA 26 161 48 214 1e-16 ... gb|AAL52029.1| PROBABLE CARNITINE... OPERON OXIDOREDUCTASE CAIA [Brucella melitensis ... 16M] ref|NP_539765.1| PROBABLE CARNITINE OPERON

ORF Alignment: NC_003317 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003317 gi|17987131 >1y7mA 26 161 48 214 1e-16 ... gb|AAL52029.1| PROBABLE CARNITINE... OPERON OXIDOREDUCTASE CAIA [Brucella melitensis ... 16M] ref|NP_539765.1| PROBABLE CARNITINE OPERON

ORF Alignment: NC_006370 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006370 gi|54310056 >1r0wC 45 273 39 283 1e-54 ... ref|YP_131076.1| putative ABC-type metal ion transports...ative ... ABC-type metal ion transportsystem, ATPase component ... [Photobacterium profundum

ORF Alignment: NC_001137 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available ograde regulon which ... consists of genes whose expression is stimulated by... NC_001137 gi|6320764 >1wvfA 13 508 29 496 1e-67 ... ref|NP_010843.1| D-lactate dehydrogenase, part of the retr

ORF Alignment: NC_002939 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_002939 gi|39995137 >1u07A 13 88 186 259 1e-09 ... emb|CAE28917.1| possible energy ...transducer TonB [Rhodopseudomonas palustris CGA009] ... ref|NP_948814.1| possible energy transducer T

ORF Alignment: NC_004463 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004463 gi|27379019 >1u07A 13 88 186 259 1e-09 ... emb|CAE28917.1| possible energy ...transducer TonB [Rhodopseudomonas palustris CGA009] ... ref|NP_948814.1| possible energy transducer T

ORF Alignment: NC_003280 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_003280 gi|25149956 >1tx4A 1 170 679 853 1e-24 ... gb|AAN38752.1| axon identity spe...form b ... [Caenorhabditis elegans] ref|NP_495592.2| SYnapse ... Defective SYD-1, axon identity

ORF Alignment: NC_006348 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_006348 gi|53726196 >1umqA 5 59 22 76 8e-06 ... ref|ZP_00216666.1| COG2901: Factor for inversion...ef|ZP_00221526.1| COG2901: Factor for inversion ... stimulation Fis, transcriptional activator ...

ORF Alignment: NC_004459 [GENIUS II[Archive

Lifescience Database Archive (English)

Full Text Available NC_004459 gi|27364633 >1etoB 1 98 1 98 7e-29 ... ref|YP_131497.1| putative factor-for-inversion... stimulation protein [Photobacterium ... profundum SS9] emb|CAG21695.1| putative ... factor-for-inversion