WorldWideScience

Sample records for strong cn features

  1. Monitoring of the future strong Vrancea events by using the CN formal earthquake prediction algorithm

    International Nuclear Information System (INIS)

    Moldoveanu, C.L.; Novikova, O.V.; Panza, G.F.; Radulian, M.

    2003-06-01

    The preparation process of the strong subcrustal events originating in Vrancea region, Romania, is monitored using an intermediate-term medium-range earthquake prediction method - the CN algorithm (Keilis-Borok and Rotwain, 1990). We present the results of the monitoring of the preparation of future strong earthquakes for the time interval from January 1, 1994 (1994.1.1), to January 1, 2003 (2003.1.1) using the updated catalogue of the Romanian local network. The database considered for the CN monitoring of the preparation of future strong earthquakes in Vrancea covers the period from 1966.3.1 to 2003.1.1 and the geographical rectangle 44.8 deg - 48.4 deg N, 25.0 deg - 28.0 deg E. The algorithm correctly identifies, by retrospective prediction, the TJPs for all the three strong earthquakes (Mo=6.4) that occurred in Vrancea during this period. The cumulated duration of the TIPs represents 26.5% of the total period of time considered (1966.3.1-2003.1.1). The monitoring of current seismicity using the algorithm CN has been carried out since 1994. No strong earthquakes occurred from 1994.1.1 to 2003.1.1 but the CN declared an extended false alarm from 1999.5.1 to 2000.11.1. No alarm has currently been declared in the region (on January 1, 2003), as can be seen from the TJPs diagram shown. (author)

  2. CN earthquake prediction algorithm and the monitoring of the future strong Vrancea events

    International Nuclear Information System (INIS)

    Moldoveanu, C.L.; Radulian, M.; Novikova, O.V.; Panza, G.F.

    2002-01-01

    The strong earthquakes originating at intermediate-depth in the Vrancea region (located in the SE corner of the highly bent Carpathian arc) represent one of the most important natural disasters able to induce heavy effects (high tool of casualties and extensive damage) in the Romanian territory. The occurrence of these earthquakes is irregular, but not infrequent. Their effects are felt over a large territory, from Central Europe to Moscow and from Greece to Scandinavia. The largest cultural and economical center exposed to the seismic risk due to the Vrancea earthquakes is Bucharest. This metropolitan area (230 km 2 wide) is characterized by the presence of 2.5 million inhabitants (10% of the country population) and by a considerable number of high-risk structures and infrastructures. The best way to face strong earthquakes is to mitigate the seismic risk by using the two possible complementary approaches represented by (a) the antiseismic design of structures and infrastructures (able to support strong earthquakes without significant damage), and (b) the strong earthquake prediction (in terms of alarm intervals declared for long, intermediate or short-term space-and time-windows). The intermediate term medium-range earthquake prediction represents the most realistic target to be reached at the present state of knowledge. The alarm declared in this case extends over a time window of about one year or more, and a space window of a few hundreds of kilometers. In the case of Vrancea events the spatial uncertainty is much less, being of about 100 km. The main measures for the mitigation of the seismic risk allowed by the intermediate-term medium-range prediction are: (a) verification of the buildings and infrastructures stability and reinforcement measures when required, (b) elaboration of emergency plans of action, (c) schedule of the main actions required in order to restore the normality of the social and economical life after the earthquake. The paper presents the

  3. Distinct features of C/N balance regulation in Prochlorococcus sp. strain MIT9313.

    Science.gov (United States)

    Domínguez-Martín, María Agustina; López-Lozano, Antonio; Rangel-Zúñiga, Oriol Alberto; Díez, Jesús; García-Fernández, José Manuel

    2018-02-01

    The abundance and significant contribution to global primary production of the marine cyanobacterium Prochlorococcus have made it one of the main models in marine ecology. Several conditions known to cause strong effects on the regulation of N-related enzymes in other cyanobacteria lacked such effect in Prochlorococcus. Prochlorococcus sp. strain MIT9313 is one of the most early-branching strains among the members of this genus. In order to further understand the C/N control system in this cyanobacterium, we studied the effect of the absence of three key elements in the ocean, namely N, P and Fe, as well as the effect of inhibitors of the N assimilation or photosynthesis on the N metabolism of this strain. Furthermore, we focused our work in the effect of ageing, as the age of cultures has clear effects on the regulation of some enzymes in Prochlorococcus. To reach this goal, expression of the main three regulators involved in N assimilation in cyanobacteria, namely ntcA, glnB and pipX, as well as that of icd (encoding for isocitrate dehydrogenase) were analysed. Our results show that the control of the main proteins involved in the C/N balance in strain MIT9313 differs from other model Prochlorococcus strains. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  4. Influence of surface features on the adhesion of Staphyloccocus epidermidis to Ag–TiCN thin films

    International Nuclear Information System (INIS)

    Carvalho, Isabel; Almeida Alves, Cristiana Filipa; Carvalho, Sandra; Henriques, Mariana; Oliveira, João Carlos; Piedade, Ana Paula

    2013-01-01

    Staphylococcus epidermidis has emerged as one of the major nosocomial pathogens associated with infections of implanted medical devices. The initial adhesion of these organisms to the surface of biomaterials is assumed to be an important stage in their colonization. The main objective of this work is to assess the influence of surface features on the adhesion of S. epidermidis to Ag–TiCN coatings deposited by dc reactive magnetron sputtering. The structural results obtained by x-ray diffraction show that the coatings crystallize in a B1-NaCl crystal structure typical of TiC 0.3 N 0.7 . The increase of Ag content promoted the formation of Ag crystalline phases. According to the results obtained with atomic force microscopy, a decrease on the surface roughness of the films from 39 to 7 nm is observed as the Ag content increases from 0 to 15 at.%. Surface energy results show that the increase of Ag promotes an increase in hydrophobicity. Bacterial adhesion and biofilm formation on coatings were assessed by the enumeration of the number of viable cells. The results showed that the surface with lower roughness and higher hydrophobicity leads to greater bacterial adhesion and biofilm formation, highlighting that surface morphology and hydrophobicity rule the colonization of materials. (paper)

  5. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

    Energy Technology Data Exchange (ETDEWEB)

    Glowacki, David R., E-mail: drglowacki@gmail.com [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Department of Computer Science, University of Bristol, Bristol BS8 1UB (United Kingdom); PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Orr-Ewing, Andrew J. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Harvey, Jeremy N. [Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Belgium)

    2015-07-28

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational

  6. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model

    International Nuclear Information System (INIS)

    Glowacki, David R.; Orr-Ewing, Andrew J.; Harvey, Jeremy N.

    2015-01-01

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD 3 CN → DF + CD 2 CN reaction in CD 3 CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD 3 CN solvent, equilibrium power spectra of DF in CD 3 CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol −1 localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD 3 CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results

  7. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

    Science.gov (United States)

    Glowacki, David R; Orr-Ewing, Andrew J; Harvey, Jeremy N

    2015-07-28

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD3CN → DF + CD2CN reaction in CD3CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD3CN solvent, equilibrium power spectra of DF in CD3CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol(-1) localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD3CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral

  8. The construction of a library of synthetic promoters revealed some specific features of strong Streptomyces promoters

    DEFF Research Database (Denmark)

    Seghezzi, Nicolas; Amar, Patrick; Købmann, Brian

    2011-01-01

    projects. Thirty-eight promoters were sequenced, and the sequences of the 14 weakest and 14 strongest promoters were compared using the WebLogo software with small sample correction. This comparison revealed that the −10 box, the −10 extended motif as well as the spacer of the strong Streptomyces promoters......Streptomyces are bacteria of industrial interest whose genome contains more than 73% of bases GC. In order to define, in these GC-rich bacteria, specific sequence features of strong promoters, a library of synthetic promoters of various sequence composition was constructed in Streptomyces. To do so...... concentrations of neomycin (20, 50, and 100 μg ml−1). Promoter strengths varied up to 12-fold, in small increments of activity increase, as determined by reverse transcriptase-PCR. This collection of promoters of various strengths can be useful for the fine-tuning of gene expression in genetic engineering...

  9. Hyades CN anomaly

    Energy Technology Data Exchange (ETDEWEB)

    Brown, J.A.; Twarog, B.A.

    1983-05-01

    Recent uvby photometric work indicating possible CN variation among main-sequence stars in the Hyades is tested. Comparison of Reticon spectra of normal stars of similar temperature to five anomalous CN candidates in the Hyades demonstrates that there is no significant difference between the spectra of the program and comparison stars for four of the anomalous CN candidates in the wavelength region of CN 4216. The observed spectral discrepancy for the fifth program star appears to be the result of an incorrect temperature index as compared to previous observations of the same star. The source of the photometric anomaly remains unexplained.

  10. 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

  11. Self-Reported Visual Perceptual Abnormalities Are Strongly Associated with Core Clinical Features in Psychotic Disorders.

    Science.gov (United States)

    Keane, Brian P; Cruz, Lisa N; Paterno, Danielle; Silverstein, Steven M

    2018-01-01

    Past studies using the Bonn Scale for the Assessment of Basic Symptoms (hereafter, Bonn Scale) have shown that self-reported perceptual/cognitive disturbances reveal which persons have or will soon develop schizophrenia. Here, we focused specifically on the clinical value of self-reported visual perceptual abnormalities (VPAs) since they are underexplored and have been associated with suicidal ideation, negative symptoms, and objective visual dysfunction. Using the 17 Bonn Scale vision items, we cross-sectionally investigated lifetime occurrence of VPAs in 21 first-episode psychosis and 22 chronic schizophrenia/schizoaffective disorder (SZ/SA) patients. Relationships were probed between VPAs and illness duration, symptom severity, current functioning, premorbid functioning, diagnosis, and age of onset. Increased VPAs were associated with: earlier age of onset; more delusions, hallucinations, bizarre behavior, and depressive symptoms; and worse premorbid social functioning, especially in the childhood and early adolescent phases. SZ/SA participants endorsed more VPAs as compared to those with schizophreniform or psychotic disorder-NOS, especially in the perception of color, bodies, faces, object movement, and double/reversed vision. The range of self-reported VPAs was strikingly similar between first-episode and chronic patients and did not depend on the type or amount of antipsychotic medication. As a comparative benchmark, lifetime occurrence of visual hallucinations did not depend on diagnosis and was linked only to poor premorbid social functioning. A brief 17-item interview derived from the Bonn Scale is strongly associated with core clinical features in schizophrenia. VPAs hold promise for clarifying diagnosis, predicting outcome, and guiding neurocognitive investigations.

  12. Automatic large-scale classification of bird sounds is strongly improved by unsupervised feature learning

    Directory of Open Access Journals (Sweden)

    Dan Stowell

    2014-07-01

    Full Text Available Automatic species classification of birds from their sound is a computational tool of increasing importance in ecology, conservation monitoring and vocal communication studies. To make classification useful in practice, it is crucial to improve its accuracy while ensuring that it can run at big data scales. Many approaches use acoustic measures based on spectrogram-type data, such as the Mel-frequency cepstral coefficient (MFCC features which represent a manually-designed summary of spectral information. However, recent work in machine learning has demonstrated that features learnt automatically from data can often outperform manually-designed feature transforms. Feature learning can be performed at large scale and “unsupervised”, meaning it requires no manual data labelling, yet it can improve performance on “supervised” tasks such as classification. In this work we introduce a technique for feature learning from large volumes of bird sound recordings, inspired by techniques that have proven useful in other domains. We experimentally compare twelve different feature representations derived from the Mel spectrum (of which six use this technique, using four large and diverse databases of bird vocalisations, classified using a random forest classifier. We demonstrate that in our classification tasks, MFCCs can often lead to worse performance than the raw Mel spectral data from which they are derived. Conversely, we demonstrate that unsupervised feature learning provides a substantial boost over MFCCs and Mel spectra without adding computational complexity after the model has been trained. The boost is particularly notable for single-label classification tasks at large scale. The spectro-temporal activations learned through our procedure resemble spectro-temporal receptive fields calculated from avian primary auditory forebrain. However, for one of our datasets, which contains substantial audio data but few annotations, increased

  13. Automatic large-scale classification of bird sounds is strongly improved by unsupervised feature learning.

    Science.gov (United States)

    Stowell, Dan; Plumbley, Mark D

    2014-01-01

    Automatic species classification of birds from their sound is a computational tool of increasing importance in ecology, conservation monitoring and vocal communication studies. To make classification useful in practice, it is crucial to improve its accuracy while ensuring that it can run at big data scales. Many approaches use acoustic measures based on spectrogram-type data, such as the Mel-frequency cepstral coefficient (MFCC) features which represent a manually-designed summary of spectral information. However, recent work in machine learning has demonstrated that features learnt automatically from data can often outperform manually-designed feature transforms. Feature learning can be performed at large scale and "unsupervised", meaning it requires no manual data labelling, yet it can improve performance on "supervised" tasks such as classification. In this work we introduce a technique for feature learning from large volumes of bird sound recordings, inspired by techniques that have proven useful in other domains. We experimentally compare twelve different feature representations derived from the Mel spectrum (of which six use this technique), using four large and diverse databases of bird vocalisations, classified using a random forest classifier. We demonstrate that in our classification tasks, MFCCs can often lead to worse performance than the raw Mel spectral data from which they are derived. Conversely, we demonstrate that unsupervised feature learning provides a substantial boost over MFCCs and Mel spectra without adding computational complexity after the model has been trained. The boost is particularly notable for single-label classification tasks at large scale. The spectro-temporal activations learned through our procedure resemble spectro-temporal receptive fields calculated from avian primary auditory forebrain. However, for one of our datasets, which contains substantial audio data but few annotations, increased performance is not discernible. We

  14. The influence of the pyrolysis temperature on the electrochemical behavior of carbon-rich SiCN polymer-derived ceramics as anode materials in lithium-ion batteries

    Science.gov (United States)

    Reinold, Lukas Mirko; Yamada, Yuto; Graczyk-Zajac, Magdalena; Munakata, Hirokazu; Kanamura, Kiyoshi; Riedel, Ralf

    2015-05-01

    Within this study we report on the impact of the pyrolysis temperature on the structural and electrochemical properties of the poly(phenylvinylsilylcarbodiimide) derived silicon carbonitride (SiCN) ceramic. Materials pyrolysed at 800 °C and 1300 °C, SiCN 800 and SiCN 1300, are found amorphous. Raman spectroscopy measurements indicate the increase in ordering of the free carbon phase with increasing pyrolysis temperature which leads to lower capacity recovered by SiCN 1300. Significant hysteresis is found for materials pyrolysed at 800 °C during electrochemical lithium insertion/extraction. This feature is attributed to much higher hydrogen content in SiCN 800 sample. An aging of SiCN 800 reflected by a change of elemental composition upon contact to air and a strong film formation are attenuated at a higher pyrolysis temperature. Single particle microelectrode investigation on SiCN 800 and SiCN 1300 clarify different electrochemical behavior of the materials. Much lower charge transfer resistance of SiCN 1300 in comparison to SiCN 800 explains better high currents electrochemical performance. Lithium ions diffusion coefficient Dmin ranges from 3.2 10-9 cm2s-1 to 6.4 10-11 cm2s-1 and is independent on the potential.

  15. Imposed, ordered dust structures and other plasma features in a strongly magnetized plasma

    Science.gov (United States)

    Thomas, Edward; Leblanc, Spencer; Lynch, Brian; Konopka, Uwe; Merlino, Robert; Rosenberg, Marlene

    2015-11-01

    The Magnetized Dusty Plasma Experiment (MDPX) device has been in operation for just over one year. In that time, the MDPX device has been operating using a uniform magnetic field configuration up to 3.0 Tesla and has successfully produced plasmas and dusty plasmas at high magnetic fields. In these experimental studies, we have made observations of a new type of imposed, ordered structure in a dusty plasma at magnetic fields above 1 T. These dusty plasma structures are shown to scale inversely with neutral pressure and are shown to reflect the spatial structure of a wire mesh placed in the plasma. Additionally, recent measurements have been made that give insights into the effective potential that establishes the ordered structures in the plasma. In this presentation, we report on details of the imposed, ordered dusty plasma structure as well as filamentary features that also appear in the plasma and modify the confinement of the dusty plasma. This work is supported with funding from the NSF and Department of Energy.

  16. Identifying Host Molecular Features Strongly Linked With Responses to Huanglongbing Disease in Citrus Leaves

    Directory of Open Access Journals (Sweden)

    Bipin Balan

    2018-02-01

    Full Text Available A bioinformatic analysis of previously published RNA-Seq studies on Huanglongbing (HLB response and tolerance in leaf tissues was performed. The aim was to identify genes commonly modulated between studies and genes, pathways and gene set categories strongly associated with this devastating Citrus disease. Bioinformatic analysis of expression data of four datasets present in NCBI provided 46–68 million reads with an alignment percentage of 72.95–86.76%. Only 16 HLB-regulated genes were commonly identified between the three leaf datasets. Among them were key genes encoding proteins involved in cell wall modification such as CESA8, pectinesterase, expansin8, expansin beta 3.1, and a pectate lyase. Fourteen HLB-regulated genes were in common between all four datasets. Gene set enrichment analysis showed some different gene categories affected by HLB disease. Although sucrose and starch metabolism was highly linked with disease symptoms, different genes were significantly regulated depending on leaf growth and infection stages and experimental conditions. Histone-related transcription factors were highly affected by HLB in the analyzed RNA-Seq datasets. HLB tolerance was linked with induction of proteins involved in detoxification. Protein–protein interaction (PPI network analysis confirmed a possible role for heat shock proteins in curbing disease progression.

  17. 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

  18. CN in the Sgr A* environment - first results

    Energy Technology Data Exchange (ETDEWEB)

    Stankovic, M; Seaquist, E R; Muehle, S [Department of Astronomy and Astrophysics, University of Toronto, 60 St. George St, Toronto, Ontario, M5S 3H8 (Sao Tome and Principe)

    2006-12-15

    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.

  19. Thermal Expansion Behavior of MI[AuX2(CN)2]-Based Coordination Polymers (M = Ag, Cu; X = CN, Cl, Br).

    Science.gov (United States)

    Ovens, Jeffrey S; Leznoff, Daniel B

    2017-07-03

    Two sets of trans-[AuX 2 (CN) 2 ] - -based coordination polymer materials-M[AuX 2 (CN) 2 ] (M = Ag; X = Cl, Br or M = Cu; X = Br) and M[Au(CN) 4 ] (M = Ag, Cu)-were synthesized and structurally characterized and their dielectric constants and thermal expansion behavior explored. The M[AuX 2 (CN) 2 ] series crystallized in a tightly packed, mineral-like structure featuring 1-D trans-[AuX 2 (CN) 2 ] - -bridged chains interconnected via a series of intermolecular Au···X and M···X (M = Ag, Cu) interactions. The M[Au(CN) 4 ] series adopted a 2-fold interpenetrated 3-D cyano-bound framework lacking any weak intermolecular interactions. Despite the tight packing and the presence of intermolecular interactions, these materials exhibited decreased thermal stability over unbound trans-[AuX 2 (CN) 2 ] - in [ n Bu 4 N][AuX 2 (CN) 2 ]. A significant dielectric constant of up to ε r = 36 for Ag[AuCl 2 (CN) 2 ] (1 kHz) and a lower ε r = 9.6 (1 kHz) for Ag[Au(CN) 4 ] were measured and interpreted in terms of their structures and composition. A systematic analysis of the thermal expansion properties of the M[AuX 2 (CN) 2 ] series revealed a negative thermal expansion (NTE) component along the cyano-bridged chains with a thermal expansion coefficient (α CN ) of -13.7(11), -14.3(5), and -11.36(18) ppm·K -1 for Ag[AuCl 2 (CN) 2 ], Ag[AuBr 2 (CN) 2 ], and Cu[AuBr 2 (CN) 2 ], respectively. The Au···X and Ag···X interactions affect the thermal expansion similarly to metallophilic Au···Au interactions in M[Au(CN) 2 ] and AuCN; replacing X = Cl with the larger Br atoms has a less significant effect. A similar analysis for the M[Au(CN) 4 ] series (where the volume thermal expansion coefficient, α V , is 41(3) and 68.7(19) ppm·K -1 for M = Ag, Cu, respectively) underscored the significance of the effect of the atomic radius on the flexibility of the framework and, thus, the thermal expansion properties.

  20. Exploring the crystallization landscape of cadmium bis(N-hydroxyethyl, N-isopropyldithiocarbamate), Cd[S2CN(iPr)CH2CH2OH]2

    International Nuclear Information System (INIS)

    Tan, Yee Seng; Halim, Siti Nadiah Abdul; Tiekink, Edward R.T.; Sunway Univ., Bandar Sunway

    2016-01-01

    Crystallization of Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 from ethanol yields the coordination polymer [{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 }.EtOH] ∞ (1) within 3 h. When the solution is allowed to stand for another hour, the needles begin to dissolve and prisms emerge of the supramolecular isomer (SI), binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 .2EtOH (2). These have been fully characterized spectroscopically and by X-ray crystallography. Polymeric 1 has 2-fold symmetry and features dithiocarbamate ligands coordinating two octahedral Cd atoms in a μ 2 κ 2 -tridentate mode. Binuclear 2 is centrosymmetric with two ligands being μ 2 κ 2 -tridentate as for 1 but the other two being κ 2 -chelating leading to square pyramidal geometries. The conversion of the kinetic crystallization product, 1, to thermodynamic 2 is irreversible but transformations mediated by recrystallization (ethanol and acetonitrile) to related literature SI species, namely coordination polymer [{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 3 .MeCN] ∞ and binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 .2H 2 O.2MeCN, are demonstrated, some of which are reversible. Three other crystallization outcomes are described whereby crystal structures were obtained for the 1:2 co-crystal {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 :2[3-(propan-2-yl)-1,3-oxazolidine-2-thione] (3), the salt co-crystal [iPrNH 2 (CH 2 CH 2 OH)] 4 [SO 4 ] 2 {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 (4) and the salt [iPrNH 2 (CH 2 CH 2 OH)]{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 3 } (5). These arise as a result of decomposition/oxidation of the dithiocarbamate ligands. In each of 3 and 4 the binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 SI, as in 2, is observed strongly suggesting a thermodynamic preference for this form.

  1. Role of Equatorial Anomaly in Earthquake time precursive features: A few strong events over West Pacific zone

    Science.gov (United States)

    Devi, Minakshi; Patgiri, S.; Barbara, A. K.; Oyama, Koh-Ichiro; Ryu, K.; Depuev, V.; Depueva, A.

    2018-03-01

    The earthquake (EQ) time coupling processes between equator-low-mid latitude ionosphere are complex due to inherent dynamical status of each latitudinal zone and qualified geomagnetic roles working in the system. In an attempt to identify such process, the paper presents temporal and latitudinal variations of ionization density (foF2) covering 45°N to 35°S, during a number of earthquake events (M > 5.5). The approaches adopted for extraction of features by the earthquake induced preparatory processes are discussed in the paper through identification of parameters like the 'EQ time modification in density gradient' defined by δ = (foF2 max - foF2 min)/τmm, where τmm - time span (in days) between EQ modified density maximum and minimum, and the Earthquake time Equatorial Anomaly, i.e. EEA, one of the most significant phenomenon which develops even during night time irrespective of epicenter position. Based on the observations, the paper presents the seismic time coupling dynamics through anomaly like manifestations between equator, low and mid latitude ionosphere bringing in the global Total Electron Content (TEC) features as supporting indices.

  2. Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

    Science.gov (United States)

    Van Hoozen, Brian L.; Petersen, Poul B.

    2018-04-01

    Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm-1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pKA values. Dimers with large pKA differences are found to have features that can extend to frequencies below 1000 cm-1. The relationships between mean OH/NH frequency, aqueous pKA, and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm-1. Understanding how the vibrational features

  3. Late Pleistocene eolian features in southeastern Maryland and Chesapeake Bay region indicate strong WNW-NW winds accompanied growth of the Laurentide Ice Sheet

    Science.gov (United States)

    Markewich, H.W.; Litwin, R.J.; Pavich, M.J.; Brook, G.A.

    2009-01-01

    Inactive parabolic dunes are present in southeastern Maryland, USA, along the east bank of the Potomac River. More elongate and finer-grained eolian deposits and paha-like ridges characterize the Potomac River-Patuxent River upland and the west side of Chesapeake Bay. These ridges are streamlined erosional features, veneered with eolian sediment and interspersed with dunes in the low-relief headwaters of Potomac- and Patuxent-river tributaries. Axis data for the dunes and ridges indicate formation by WNW-NW winds. Optically stimulated luminescence and radiocarbon age data suggest dune formation from ??? 33-15??ka, agreeing with the 30-13??ka ages Denny, C.S., Owens, J.P., Sirkin, L., Rubin, M., 1979. The Parsonburg Sand in the central Delmarva Peninsula, Maryland and Delaware. U.S. Geol. Surv. Prof. Pap. 1067-B, 16??pp. suggested for eolian deposits east of Chesapeake Bay. Age range and paleowind direction(s) for eolian features in the Bay region approximate those for late Wisconsin loess in the North American midcontinent. Formation of midcontinent loess and Bay-region eolian features was coeval with rapid growth of the Laurentide Ice Sheet and strong cooling episodes (??18O minima) evident in Greenland ice cores. Age and paleowind-direction coincidence, for eolian features in the midcontinent and Bay region, indicates strong mid-latitude WNW-NW winds for several hundred kilometers south of the Laurentide glacial terminus that were oblique to previously simulated anticyclonic winds for the last glacial maximum.

  4. 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..

  5. 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.

  6. 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

  7. 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.

  8. 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 ...

  9. Anomalous absorption in H2CN and CH2CN molecules

    Indian Academy of Sciences (India)

    http://www.ias.ac.in/article/fulltext/pram/071/01/0023-0032. Keywords. Interstellar molecules; H2CN; CH2CN. Abstract. Structures of H2CN and CH2CN molecules are similar to that of H2CO molecule. The H2CO has shown anomalous absorption for its transition 111 - 110 at 4.8 GHz in a number of cool molecular clouds.

  10. Abundance inhomogeneities and atmospheric structure in CN-bimodal globular cluster giants

    Science.gov (United States)

    Drake, Jeremy J.; Plez, Bertrand; Smith, Verne V.

    1993-01-01

    It has been suggested by several authors that the sodium and aluminum abundance variations correlating with CN-band strength, frequently observed in CN-bimodal globular cluster giants, could be spurious manifestations of different temperature structures in the 'CN-strong' and 'CN-weak' stars, caused by different molecular line blanketing related to the C, N, and O trio. For stellar parameters generally appropriate to giants in the intermediate metallicity CN-bimodal cluster M4, we demonstrate through new model atmosphere calculations, employing opacity sampling and spherical geometry, that the observed abundance anomalies cannot be the result of atmospheric temperature structure. Our results using spherical geometry are compared to identical calculations performed with plane-parallel geometry: the effects of atmospheric extension on derived abundances for all lines considered amount to less than 0.1 dex.

  11. RECENT STRONG EARTHQUAKES IN CENTRAL ASIA: REGULAR TECTONOPHYSICAL FEATURES OF LOCATIONS IN THE STRUCTURE AND GEODYNAMICS OF THE LITHOSPHERE. PART 1. MAIN GEODYNAMIC FACTORS PREDETERMINING LOCATIONS OF STRONG EARTHQUAKES IN THE STRUCTURE OF THE LITHOSPHER

    Directory of Open Access Journals (Sweden)

    S. I. Sherman

    2015-01-01

    Full Text Available Studying locations of strong earthquakes (М≥8 in space and time in Central Asia has been among top prob-lems for many years and still remains challenging for international research teams. The authors propose a new ap-proach that requires changing the paradigm of earthquake focus – solid rock relations, while this paradigm is a basis for practically all known physical models of earthquake foci. This paper describes the first step towards developing a new concept of the seismic process, including generation of strong earthquakes, with reference to specific geodynamic features of the part of the study region wherein strong earthquakes were recorded in the past two centuries. Our analysis of the locations of М≥8 earthquakes shows that in the past two centuries such earthquakes took place in areas of the dynamic influence of large deep faults in the western regions of Central Asia. In the continental Asia, there is a clear submeridional structural boundary (95–105°E between the western and eastern regions, and this is a factor controlling localization of strong seismic events in the western regions. Obviously, the Indostan plate’s pressure from the south is an energy source for such events. The strong earthquakes are located in a relatively small part of the territory of Central Asia (i.e. the western regions, which is significantly different from its neighbouring areas at the north, east and west, as evidenced by its specific geodynamic parameters. (1 The crust is twice as thick in the western regions than in the eastern regions. (2 In the western regions, the block structures re-sulting from the crust destruction, which are mainly represented by lense-shaped forms elongated in the submeridio-nal direction, tend to dominate. (3 Active faults bordering large block structures are characterized by significant slip velocities that reach maximum values in the central part of the Tibetan plateau. Further northward, slip velocities decrease

  12. Exploring the crystallization landscape of cadmium bis(N-hydroxyethyl, N-isopropyldithiocarbamate), Cd[S{sub 2}CN(iPr)CH{sub 2}CH{sub 2}OH]{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Yee Seng; Halim, Siti Nadiah Abdul [Malaya Univ., Kuala Lumpur (Malaysia). Dept. of Chemistry; Tiekink, Edward R.T. [Malaya Univ., Kuala Lumpur (Malaysia). Dept. of Chemistry; Sunway Univ., Bandar Sunway (Malaysia). Centre for Chemical Crystallography

    2016-04-01

    Crystallization of Cd[S{sub 2}CN(iPr)CH{sub 2}CH{sub 2}OH]{sub 2} from ethanol yields the coordination polymer [{Cd[S_2CN(iPr)CH_2CH_2OH]_2}.EtOH]{sub ∞} (1) within 3 h. When the solution is allowed to stand for another hour, the needles begin to dissolve and prisms emerge of the supramolecular isomer (SI), binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}.2EtOH (2). These have been fully characterized spectroscopically and by X-ray crystallography. Polymeric 1 has 2-fold symmetry and features dithiocarbamate ligands coordinating two octahedral Cd atoms in a μ{sub 2}κ{sup 2}-tridentate mode. Binuclear 2 is centrosymmetric with two ligands being μ{sub 2}κ{sup 2}-tridentate as for 1 but the other two being κ{sup 2}-chelating leading to square pyramidal geometries. The conversion of the kinetic crystallization product, 1, to thermodynamic 2 is irreversible but transformations mediated by recrystallization (ethanol and acetonitrile) to related literature SI species, namely coordination polymer [{Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 3}.MeCN]{sub ∞} and binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}.2H{sub 2}O.2MeCN, are demonstrated, some of which are reversible. Three other crystallization outcomes are described whereby crystal structures were obtained for the 1:2 co-crystal {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}:2[3-(propan-2-yl)-1,3-oxazolidine-2-thione] (3), the salt co-crystal [iPrNH{sub 2}(CH{sub 2}CH{sub 2}OH)]{sub 4}[SO{sub 4}]{sub 2}{Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2} (4) and the salt [iPrNH{sub 2}(CH{sub 2}CH{sub 2}OH)]{Cd[S_2CN(iPr)CH_2CH_2OH]_3} (5). These arise as a result of decomposition/oxidation of the dithiocarbamate ligands. In each of 3 and 4 the binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2} SI, as in 2, is observed strongly suggesting a thermodynamic preference for this form.

  13. Clues to NaCN formation

    Science.gov (United States)

    Quintana-Lacaci, G.; Cernicharo, J.; Velilla Prieto, L.; Agúndez, M.; Castro-Carrizo, A.; Fonfría, J. P.; Massalkhi, S.; Pardo, J. R.

    2017-11-01

    Context. ALMA is providing us essential information on where certain molecules form. Observing where these molecules emission arises from, the physical conditions of the gas, and how this relates with the presence of other species allows us to understand the formation of many species, and to significantly improve our knowledge of the chemistry that occurs in the space. Aims: We studied the molecular distribution of NaCN around IRC +10216, a molecule detected previously, but whose origin is not clear. High angular resolution maps allow us to model the abundance distribution of this molecule and check suggested formation paths. Methods: We modeled the emission of NaCN assuming local thermal equilibrium (LTE) conditions. These profiles were fitted to azimuthal averaged intensity profiles to obtain an abundance distribution of NaCN. Results: We found that the presence of NaCN seems compatible with the presence of CN, probably as a result of the photodissociation of HCN, in the inner layers of the ejecta of IRC +10216. However, similar as for CH3CN, current photochemical models fail to reproduce this CN reservoir. We also found that the abundance peak of NaCN appears at a radius of 3 × 1015 cm, approximately where the abundance of NaCl, suggested to be the parent species, starts to decay. However, the abundance ratio shows that the NaCl abundance is lower than that obtained for NaCN. We expect that the LTE assumption might result in NaCN abundances higher than the real ones. Updated photochemical models, collisional rates, and reaction rates are essential to determine the possible paths of the NaCN formation. Based on observations carried out with ALMA and the IRAM 30 m Telescope. ALMA is a partnership of ESO (representing its member states), NSF (USA) and NINS (Japan), together with NRC (Canada) and NSC and ASIAA (Taiwan), in cooperation with the Republic of Chile. The Joint ALMA Observatory is operated by ESO, AUI/NRAO and NAOJ. IRAM is supported by INSU/CNRS (France

  14. Syntheses, Vibrational Spectroscopy, and Crystal Structure Determination from X-Ray Powder Diffraction Data of Alkaline Earth Dicyanamides M[N(CN)

    Energy Technology Data Exchange (ETDEWEB)

    Juergens, Barbara; Irran, Elisabeth; Schnick, Wolfgang

    2001-03-01

    The alkaline earth dicyanamides Mg[N(CN){sub 2}]{sub 2}, Ca[N(CN){sub 2}]{sub 2}, Sr[N(CN){sub 2}]{sub 2}, and Ba[N(CN){sub 2}]{sub 2} were synthesized by ion exchange using Na[N(CN){sub 2}] and the respective nitrates or bromides as starting materials. The crystal structures were determined from X-ray powder diffractometry: Mg[N(CN){sub 2}]{sub 2}, Pnnm, Z=2, a=617.14(3), b=716.97(3), and c=740.35(5) pm; Ca[N(CN){sub 2}]{sub 2} and Sr[N(CN){sub 2}]{sub 2}, C2/c, Z=4; Ca[N(CN){sub 2}]{sub 2}, a=1244.55(3), b=607.97(1), and c=789.81(1) pm, {beta}=98.864(2){degree}; Sr[N(CN){sub 2}]{sub 2}, a=1279.63(2), b=624.756(8), and c=817.56(1) pm, {beta}=99.787(1){degree}; Ba[N(CN){sub 2}]{sub 2}, Pnma, Z=4, a=1368.68(7), b=429.07(7), and c=1226.26(2) pm. The dicyanamides consist of the respective alkaline earth cations and bent planar [N(CN){sub 2}]{sup -} ions. The structural features were correlated with vibrational spectroscopic data. The thermal behavior was studied by thermoanalytical experiments.

  15. 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)

  16. Phonon dispersion curves of CsCN

    Indian Academy of Sciences (India)

    Abstract. 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 ...

  17. Trends in Strong Chemical Bonding in C2, CN, CN-, CO, N2, NO, NO+, and O2

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2017-01-01

    systems C2+ and C2- at chemical accuracy (~1 kcal/mol or 4 kJ/mol) using CCSD(T)/aug-cc-pV5Z, with additional benchmarks of HF, MP2, CCSD, explicitly correlated F12 methods, and four density functionals. Very large correlation and basis set effects are responsible for up to 93% of total D0. The order...... of the molecular orbitals 1πu and 3σg changes, as seen in text books, depending on total and effective nuclear charge. Linear trends are observed in 2σu - 2σg orbital splitting (R2 = 0.91) and in D0 of C2, C2-, and C2+ (R2 = 0.99). The correlation component of D0 of C2 is by far the largest (~93%) due to a poor HF...

  18. Cyanoform and Its Isomers. Relative Stabilities, Spectroscopic Features, and Rearrangements by Coupled Cluster and MCSCF-Based Methods.

    Science.gov (United States)

    Szczepaniak, Marek; Moc, Jerzy

    2017-02-16

    Although an isolation of elusive tricyanomethane HC(CN) 3 was recently reported, the existence of other HC 4 N 3 species has yet to be confirmed. In this work, the relative stabilities, spectroscopic features, and rearrangements of tricyanomethane and its four isomers are examined using single- (CCSD(T), CCSD(T)-F12) and multireference (MCSCF, MRPT2) methods. Tricyanomethane and dicyanoketenimine (NC) 2 CCNH, which are found to be the two most stable HC 4 N 3 isomers lying within 9 kcal/mol, can be discriminated by their spectroscopic parameters. The predicted stepwise interconversion path relating HC(CN) 3 and (NC) 2 CCNH features the HC 4 N 3 species comprising the C-C-N ring moiety, with the largest barrier being associated with the initial H migration to one of the CN carbons. Adding a water molecule reduces the H migration barrier strongly and makes it possible to interconvert tricyanomethane to dicyanoketenimine in a "concerted" way.

  19. Life decrees: no wonder, this. Magazine drops CN Tower as a modern wonder

    CERN Multimedia

    Marshall, E

    2004-01-01

    "Life's December special edition, The Seven Wonders of the World: Yesterday, Today and Tomorrow, offers feature articles on six of the seven modern global wonders as chosen by the American Society of Civil Engineers (ASCE), but arbitrarily drops the CN Tower in favour of a particle research laboratory near Geneva, Switzerland" (1 page).

  20. New solar carbon abundance based on non-LTE CN molecular spectra

    International Nuclear Information System (INIS)

    Mount, G.H.; Linsky, J.L.

    1975-01-01

    A detailed non-LTE analysis of solar CN spectra strongly suggests a revised carbon abundance for the Sun. A value of log A/subc/=8.35plus-or-minus0.15 which is significantly lower than the presently accepted value of log A/subc/=8.55 is suggested. This revision may have important consequences in astrophysics

  1. Mixed copper, silver, and gold cyanides, (M(x)M'(1-x))CN: tailoring chain structures to influence physical properties.

    Science.gov (United States)

    Chippindale, Ann M; Hibble, Simon J; Bilbé, Edward J; Marelli, Elena; Hannon, Alex C; Allain, Clémence; Pansu, Robert; Hartl, František

    2012-10-03

    Binary mixed-metal variants of the one-dimensional MCN compounds (M = Cu, Ag, and Au) have been prepared and characterized using powder X-ray diffraction, vibrational spectroscopy, and total neutron diffraction. A solid solution with the AgCN structure exists in the (Cu(x)Ag(1-x))CN system over the range (0 ≤ x ≤ 1). Line phases with compositions (Cu(1/2)Au(1/2))CN, (Cu(7/12)Au(5/12))CN, (Cu(2/3)Au(1/3))CN, and (Ag(1/2)Au(1/2))CN, all of which have the AuCN structure, are found in the gold-containing systems. Infrared and Raman spectroscopies show that complete ordering of the type [M-C≡N-M'-N≡C-](n) occurs only in (Cu(1/2)Au(1/2))CN and (Ag(1/2)Au(1/2))CN. The sense of the cyanide bonding was determined by total neutron diffraction to be [Ag-NC-Au-CN-](n) in (Ag(1/2)Au(1/2))CN and [Cu-NC-Au-CN-](n) in (Cu(1/2)Au(1/2))CN. In contrast, in (Cu(0.50)Ag(0.50))CN, metal ordering is incomplete, and strict alternation of metals does not occur. However, there is a distinct preference (85%) for the N end of the cyanide ligand to be bonded to copper and for Ag-CN-Cu links to predominate. Contrary to expectation, aurophilic bonding does not appear to be the controlling factor which leads to (Cu(1/2)Au(1/2))CN and (Ag(1/2)Au(1/2))CN adopting the AuCN structure. The diffuse reflectance, photoluminescence, and 1-D negative thermal expansion (NTE) behaviors of all three systems are reported and compared with those of the parent cyanide compounds. The photophysical properties are strongly influenced both by the composition of the individual chains and by how such chains pack together. The NTE behavior is also controlled by structure type: the gold-containing mixed-metal cyanides with the AuCN structure show the smallest contraction along the chain length on heating.

  2. Two different one-dimensional structural motifs in [catena-{Cu(tacn)}2Pd(CN)4]Br2.[catena-Cu(tacn)Pd(CN)4]2.H2O (tacn is 1,4,7-triazacyclononane).

    Science.gov (United States)

    Kuchár, Juraj; Cernák, Juraj

    2009-07-01

    The title compound, catena-poly[[bis[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-di-mu-cyanido-kappa(4)N:C-palladate(II)-di-mu-cyanido-kappa(4)C:N] dibromide bis[[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-mu-cyanido-kappa(2)N:C-[dicyanidopalladate(II)]-mu-cyanido-kappa(2)C:N] monohydrate], {[Cu(2)Pd(CN)(4)(C(6)H(15)N(3))(2)]Br(2).[Cu(2)Pd(2)(CN)(8)(C(6)H(15)N(3))(2)].H(2)O}(n), (I), was isolated from an aqueous solution containing tacn.3HBr (tacn is 1,4,7-triazacyclononane), Cu(2+) and tetracyanidopalladate(2-) anions. The crystal structure of (I) is essentially ionic and built up of 2,2-electroneutral chains, viz. [Cu(tacn)(NC)-Pd(CN)(2)-(CN)-], positively charged 2,4-ribbons exhibiting the composition {[Cu(tacn)(NC)(2)-Pd(CN)(2)-Cu(tacn)](2n+)}(n), bromide anions and one disordered water molecule of crystallization. The O atom of the water molecule occupies two unique crystallographic positions, one on a centre of symmetry, which is half occupied, and the other in a general position with one-quarter occupancy. One of the tacn ligands also exhibits disorder. The formation of two different types of one-dimensional structural motif within the same structure is a unique feature of this compound.

  3. 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.

  4. Vibrationally quantum-state-specific dynamics of the reactions of CN radicals with organic molecules in solution

    Science.gov (United States)

    Rose, Rebecca A.; Greaves, Stuart J.; Oliver, Thomas A. A.; Clark, Ian P.; Greetham, Gregory M.; Parker, Anthony W.; Towrie, Michael; Orr-Ewing, Andrew J.

    2011-06-01

    The dynamics of reactions of CN radicals with cyclohexane, d12-cyclohexane, and tetramethylsilane have been studied in solutions of chloroform, dichloromethane, and the deuterated variants of these solvents using ultraviolet photolysis of ICN to initiate a reaction. The H(D)-atom abstraction reactions produce HCN (DCN) that is probed in absorption with sub-picosecond time resolution using ˜500 cm-1 bandwidth infrared (IR) pulses in the spectral regions corresponding to C-H (or C-D) and C≡N stretching mode fundamental and hot bands. Equivalent IR spectra were obtained for the reactions of CN radicals with the pure solvents. In all cases, the reaction products are formed at early times with a strong propensity for vibrational excitation of the C-H (or C-D) stretching (v3) and H-C-N (D-C-N) bending (v2) modes, and for DCN products there is also evidence of vibrational excitation of the v1 mode, which involves stretching of the C≡N bond. The vibrationally excited products relax to the ground vibrational level of HCN (DCN) with time constants of ˜130-270 ps (depending on molecule and solvent), and the majority of the HCN (DCN) in this ground level is formed by vibrational relaxation, instead of directly from the chemical reaction. The time-dependence of reactive production of HCN (DCN) and vibrational relaxation is analysed using a vibrationally quantum-state specific kinetic model. The experimental outcomes are indicative of dynamics of exothermic reactions over an energy surface with an early transition state. Although the presence of the chlorinated solvent may reduce the extent of vibrational excitation of the nascent products, the early-time chemical reaction dynamics in these liquid solvents are deduced to be very similar to those for isolated collisions in the gas phase. The transient IR spectra show additional spectroscopic absorption features centered at 2037 cm-1 and 2065 cm-1 (in CHCl3) that are assigned, respectively, to CN-solvent complexes and

  5. 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.

  6. Light fragment preformation in cold fission of {sup 282}Cn

    Energy Technology Data Exchange (ETDEWEB)

    Poenaru, D.N.; Gherghescu, R.A. [Horia Hulubei National Institute of Physics and Nuclear Engineering (IFIN-HH), P.O. Box MG-6, Bucharest-Magurele (Romania); Johann Wolfgang Goethe University, Frankfurt Institute for Advanced Studies (FIAS), Frankfurt am Main (Germany)

    2016-11-15

    In a previous article, published in Phys. Rev. C 94, 014309 (2016), we have shown for the first time that the best dynamical trajectory during the deformation toward fission of the superheavy nucleus {sup 286}Fl is a linearly increasing radius of the light fragment, R{sub 2}. This macroscopic-microscopic result reminds us about the α or cluster preformation at the nuclear surface, assumed already in 1928, and proved microscopically many times. This time we give more detailed arguments for the nucleus {sup 282}Cn. Also similar figures are presented for heavy nuclei {sup 240}Pu and {sup 252} Cf. The deep minimum of the total deformation energy near the surface is shown for the first time as a strong argument for cluster preformation. (orig.)

  7. Diagnostics of bearings in presence of strong operating conditions non-stationarity—A procedure of load-dependent features processing with application to wind turbine bearings

    Science.gov (United States)

    Zimroz, Radoslaw; Bartelmus, Walter; Barszcz, Tomasz; Urbanek, Jacek

    2014-05-01

    Condition monitoring of bearings used in Wind Turbines (WT) is an important issue. In general, bearings diagnostics is a well recognized field of research; however, it is not the case for machines operating under non-stationary load. In the case of varying load/speed, vibration signal generated by rolling element bearings is affected by operation factors, and makes the diagnosis relatively difficult. These difficulties come from the variation of vibration-based diagnostic features caused mostly by load/speed variation (operation factors), low energy of sought-after features, and low signal-to-noise levels. Analysis of the signal from the main bearing is even more difficult due to a very low rotational speed of the main shaft. In the paper, a novel diagnostic approach is proposed for bearings used in wind turbines. As an input data we use parameters obtained from commercial diagnostic system (peak-to-peak and root mean square (RMS) of vibration acceleration, and generator power that is related to the operating conditions). The received data cover the period of several months.

  8. 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.

  9. Functionalized carbon nitride (g-CN) monolayer as a promising energy storage material: A density functional theory study

    Science.gov (United States)

    Hussain, T.; Kaewmaraya, T.; Hankel, M.; Amornkitbamrung, V.

    2017-10-01

    Two-dimensional graphitic carbon nitride (g-CN) sheet, functionalized with polylithiated molecules (CLi2, OLi2), has been investigated to study their structural, electronic and hydrogen (H2) storage properties by van der Waals corrected first principles calculation. A strong binding of both CLi2/OLi2 with two-sided coverage and large enough molecular distance ensures their uniform dispersion over the g-CN monolayer without forming clusters. Each Li in g-CN@2CLi2 (g-CN@2OLi2) adsorbs 3H2, due to its cationic nature through transferring a portion of its charge, resulting into a high H2 storage capacity of 10.34% (9.76%). The calculated H2 adsorption energies are well suited for practical applications.

  10. Guest Induced Strong Cooperative One- and Two-Step Spin Transitions in Highly Porous Iron(II) Hofmann-Type Metal-Organic Frameworks.

    Science.gov (United States)

    Piñeiro-López, Lucı A; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Haukka, Matti; Real, José Antonio

    2017-06-19

    The synthesis, crystal structure, magnetic, calorimetric, and Mössbauer studies of a series of new Hofmann-type spin crossover (SCO) metal-organic frameworks (MOFs) is reported. The new SCO-MOFs arise from self-assembly of Fe II , bis(4-pyridyl)butadiyne (bpb), and [Ag(CN) 2 ] - or [M II (CN) 4 ] 2- (M II = Ni, Pd). Interpenetration of four identical 3D networks with α-Po topology are obtained for {Fe(bpb)[Ag I (CN) 2 ] 2 } due to the length of the rod-like bismonodentate bpb and [Ag(CN) 2 ] - ligands. The four networks are tightly packed and organized in two subsets orthogonally interpenetrated, while the networks in each subset display parallel interpenetration. This nonporous material undergoes a very incomplete SCO, which is rationalized from its intricate structure. In contrast, the single network Hofmann-type MOFs {Fe(bpb)[M II (CN) 4 ]}·nGuest (M II = Ni, Pd) feature enhanced porosity and display complete one-step or two-step cooperative SCO behaviors when the pores are filled with two molecules of nitrobenzene or naphthalene that interact strongly with the pyridyl and cyano moieties of the bpb ligands via π-π stacking. The lack of these guest molecules favors stabilization of the high-spin state in the whole range of temperatures. However, application of hydrostatic pressure induces one- and two-step SCO.

  11. Design features of a planar hybrid/permanent magnet strong-focusing undulator for Free Electron Laser (FEL) and Synchrotron Radiation (SR) applications

    Science.gov (United States)

    Tatchyn, Roman

    1997-05-01

    Insertion devices for Angstrom-wavelength Free Electron Laser (FEL) amplifiers driven by multi-GeV electron beams generally require distributed focusing substantially stronger than their natural focusing fields(C. Pellegrini, "A 4 to 0.1 nm FEL Based on the SLAC Linac," in Proc. Workshop on 4th Generation Light Sources, M.Cornacchia and H. Winick, eds., SSRL, Feb. 1992. p. 364 ff.)(R. Tatchyn, "Optimal Insertion Device Parameters for SASE FEL Operation," ibid., p. 605 ff.). Over the last several years a wide variety of focusing schemes and configurations have been proposed for undulators of this class, ranging from conventional current-driven quadrupoles external to the undulator magnets(R. Tatchyn, R. Boyce, K. Halbach, H.-D. Nuhn, J. Seeman, H. Winick, and C. Pellegrini, "Design Considerations for a 60 Meter Pure Permanent Magnet Undulator for the SLAC Linac Coherent Light Source (LCLS)," in Proceedings of the 1993 Particle Accelerator Conference, IEEE Catalog No. 93CH3279-7, 1608(1993).) to permanent magnet (PM) lattices inserted into the insertion device gap(R. Tatchyn, "Selected applications of planar permanent magnet multipoles in FEL insertion device design," NIM A341, 449(1994).)(A. A. Varfolomeev, A. H. Hairetdinov, "Advanced hybrid undulator schemes providing enhanced transverse e-beam focusing," ibid., p. 462.)(G. Travish, J. Rosenzweig, "Strong sextupole focussing in planar undulators," NIM A345, 585(1994).). In this paper we present design studies of a flexible hybrid/PM undulator with superimposed planar PM focusing proposed for a 1.5 Angstrom Linac Coherent Light Source (LCLS) undulator(S. Caspi, R. Schlueter, R. Tatchyn, "High-Field Strong-Focusing Undulator Designs for X-Ray Linac Coherent Light Source (LCLS) Applications," Proc. IEEE PAC95, Dallas, TX, May 1-5, 1995, SLAC-PUB-95-6885.)(R. Tatchyn, "Permanent Magnet Edge-Field Quadrupole," US Patent 5,596,304.) driven by an electron beam with a 1 mm-mr normalized emittance(R. Tatchyn et al, NIM A

  12. 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

  13. Riot control agents: the tear gases CN, CS and OC-a medical review.

    Science.gov (United States)

    Schep, Leo J; Slaughter, R J; McBride, D I

    2015-06-01

    2-Chloroacetophenone (CN), o-chlorobenzylidene malonitrile (CS) and oleoresin capsicum (OC) are common riot control agents. While serious systemic effects are uncommon, exposure to high concentrations may lead to severe complications and even death. The aim of this narrative review is to summarise all main aspects of the riot control agents CN, CS and OC toxicology, including mechanisms of toxicity, clinical features and management. OVID MEDLINE and ISI Web of Science were searched for terms associated with CN, CS and OC toxicity in humans and those describing the mechanism of action, clinical features and treatment protocols. CN, CS and OC are effective lacrimating agents; evidence for toxicity, as measured by the threshold for irritation, is greatest for CN, followed by CS and OC. Typically, ocular and respiratory tract irritation occurs within 20-60 s of exposure. Ocular effects involve blepharospasm, photophobia, conjunctivitis and periorbital oedema. Following inhalation, effects may include a stinging or burning sensation in the nose, tight chest, sore throat, coughing, dyspnoea and difficulty breathing. Dermal outcomes are variable, more severe for CN and include dermal irritation, bulla formation and subcutaneous oedema. Removal from the contaminated area and fresh air is a priority. There is no antidote; treatment consists of thorough decontamination and symptom-directed supportive care. Ocular exposure requires thorough eye decontamination, an eye exam and appropriate pain management. Monitoring and support of respiratory function is important in patients with significant respiratory symptoms. Standard treatment protocols may be required with patients with pre-existing respiratory conditions. Dermal exposures may require systemic steroids for patients who develop delayed contact dermatitis. CN, CS and OC are effective riot control agents. In the majority of exposures, significant clinical effects are not anticipated. The irritant effects can be

  14. Strongly Agree or Strongly Disagree?

    DEFF Research Database (Denmark)

    Carrizosa, Emilio; Nogales-Gómez, Amaya; Morales, Dolores Romero

    2016-01-01

    In linear classifiers, such as the Support Vector Machine (SVM), a score is associated with each feature and objects are assigned to classes based on the linear combination of the scores and the values of the features. Inspired by discrete psychometric scales, which measure the extent to which...... a factor is in agreement with a statement, we propose the Discrete Level Support Vector Machine (DILSVM) where the feature scores can only take on a discrete number of values, defined by the so-called feature rating levels. The DILSVM classifier benefits from interpretability and it has visual appeal...

  15. N7 dark field two-bar in 0.33NA EUVL: Mitigation of CD Bossung tilts caused by strong coupling between the feature's primary and 1st self-image

    Science.gov (United States)

    Last, T.; van Adrichem, P.; de Winter, L.; Hsu, S.; Finders, J.; Wittebrood, F.; van de Kerkhof, M.

    2017-03-01

    We report a study into intensity-driven mask 3D effects for N7 dark field two-bars in EUVL. For these features, traditional pupil optimization "rules" are advising to center a symmetric leaf shape illumination at the pupil plane location σY = (-0.64, 0.64). Experimentally determined critical dimension Bossungs for this exposure condition however yield an extreme best focus separation due to an additional Bossung tilt appearing at defocus values beyond 20 nm for the bottom trench. The Bossung tilts are caused by a strong coupling between the primary image of the two-bar and its first local pitch-induced self-image. The coupling to the self-image can be suppressed and, hence, the overlapping process window can be enhanced by the application of asymmetric sources, or by using standard dipole 90Y or leaf shape illuminations in combination with optimally placed sub-resolution assist features.

  16. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yong [School of Mechanical, Materials & Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Lu, Cheng, E-mail: chenglu@uow.edu.au [School of Mechanical, Materials & Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Yu, Hailiang [School of Mechanical, Materials & Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); School of Mechanical Engineering, Shenyang University, Shenyang 110044 (China); Kiet Tieu, A.; Su, Lihong; Zhao, Yue; Zhu, Hongtao [School of Mechanical, Materials & Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Kong, Charlie [Electron Microscope Unit, University of New South Wales, Sydney, NSW 2052 (Australia)

    2015-02-11

    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.

  18. Strong Geometry.

    Science.gov (United States)

    American School and University, 1981

    1981-01-01

    The new multi-use Public Affairs Center houses administrative offices, academic offices, conference areas, and classrooms as well as food service facilities. Other features are a studio theater, a 2,200 seat auditorium, and simulation gaming facilities. (Author/MLF)

  19. [Acute poisoning with carbon monoxide (CO) and cyanide (CN)].

    Science.gov (United States)

    Baud, Frédéric J

    2009-05-01

    A critical analysis of acute CO and CN poisonings evidences that the lone toxicological similarity between CO and CN is their ability to avidly bind iron ions in the different hemoproteins. Otherwise, CO is a stable not-metabolized molecule while CN is a highly reactive molecule with extensive metabolism. CO impairs the ability of erythrocytes to transfer oxygen while CN has no effect. Both toxicants act in the mitochondria with CN resulting in the complete and sustained blockade of cellular respiration inducing severe lactic acidosis while CO does not. Acute CO poisoning mostly alters neurological cognitive function and even consciousness without significant alteration of vital functions while CN primarily alters consciousness with early onset of severe alteration of vital functions. Severe CO poisonings requires hours of exposure while severe CN poisoning occurs within seconds or minutes of exposure. Both gases may result in brain damage and sequelae. Brain imaging clearly shows significant differences in the locations and types of CO- and CN-induced brain damages, further supporting different mechanisms of action. Oxygen is the lone treatment of CO poisoning while in CN poisonings antidotes associated to oxygen are more efficient than oxygen alone. Unfortunately, there are several conditions where the easily detected and potentially toxic CO still continues to mask other potent toxicants. The lack of awareness of emergency physicians, clinical toxicologists, and neuroradiologists regarding the role of other toxic gases whose important role is recognized in combustion toxicology or environmental medicine precludes any progress in the understanding of the mechanisms of toxicity and in the treatment of these poisonings resulting in a particularly high rate of morbi-mortality.

  20. 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).

  1. Electrochemical Catalysis of Inorganic Complex K4[Fe(CN)6] by Shewanellaoneidensis MR-1

    DEFF Research Database (Denmark)

    Zheng, Zhiyong; Wu, Ranran; Xiao, Yong

    a pair of redox peaks on voltammetry on bare glassy carbon electrode (GCE), symmetric with ideal peak-peak separation of about 60 mV, indicating ofa reversible one-electron transfer process(blue curve, Figure 1). Surprisingly, the presence of S. oneidensis MR-1 on GCE results an asymmetric redox peak......The interaction between metal and bacteria is a universal and important biogeochemical processin environment. As a dissimilatory metal reduction bacterium, the electrochemically activebacteriium Shewanella oneidensis MR-1 can transfer intracellular electrons to minerals. This ability is attributed...... to the redox proteins localized on the outer-membrane, for example, the MtrC, MtrB, MtrA and CymA2. Here we investigate its electrochemical properties towards redoxinorganic redox compounds. It shows strong electrocatalysis toward electrochemical oxidation of K4[Fe(CN)6]. As a redox molecule, K4[Fe(CN)6] gives...

  2. Experimental and theoretical studies of Si-CN bonds to eliminate interface states at Si/SiO 2 interface

    Science.gov (United States)

    Maida, Osamu; Asano, Akira; Takahashi, Masao; Iwasa, Hitoo; Kobayashi, Hikaru

    2003-09-01

    Cyanide treatment, which includes the immersion of Si in KCN solutions followed by a rinse, effectively passivates interface states at Si/SiO 2 interfaces by the reaction of CN - ions with interface states to form Si-CN bonds. X-ray photoelectron spectroscopy (XPS) measurements show that the concentration of the CN species in the surface region after the cyanide treatment is ˜0.25 at.%. Take-off angle-dependent measurements of the XPS spectra indicate that the concentration of the CN species increases with the depth from the Si/SiO 2 interface at least up to ˜2 nm when ultrathin SiO 2 layers are formed at 450 °C after the cyanide treatment. When the cyanide treatment is applied to metal-oxide-semiconductor (MOS) solar cells with structure, the photovoltage greatly increases, leading to a high conversion efficiency of 16.2% in spite of the simple cell structure with no pn-junction. Si-CN bonds are not ruptured by air mass 1.5 100 mW cm -2 irradiation for 1000 h, and consequently the solar cells show no degradation. Neither are Si-CN bonds broken by heat treatment at 800 °C performed after the cyanide treatment. The thermal and irradiation stability of the cyanide treatment is attributable to strong Si-CN bonds, whose bond energy is calculated to be 1 eV higher than that of the Si-H bond energy using a density functional method.

  3. Low-Temperature Lattice Effects in the Spin-Liquid Candidate κ-(BEDT-TTF2Cu2(CN3

    Directory of Open Access Journals (Sweden)

    Rudra Sekhar Manna

    2018-02-01

    Full Text Available The quasi-two-dimensional organic charge-transfer salt κ -(BEDT-TTF 2 Cu 2 (CN 3 is one of the prime candidates for a quantum spin-liquid due the strong spin frustration of its anisotropic triangular lattice in combination with its proximity to the Mott transition. Despite intensive investigations of the material’s low-temperature properties, several important questions remain to be answered. Particularly puzzling are the 6 K anomaly and the enigmatic effects observed in magnetic fields. Here we report on low-temperature measurements of lattice effects which were shown to be particularly strongly pronounced in this material (R. S. Manna et al., Phys. Rev. Lett. 2010, 104, 016403. A special focus of our study lies on sample-to-sample variations of these effects and their implications on the interpretation of experimental data. By investigating overall nine single crystals from two different batches, we can state that there are considerable differences in the size of the second-order phase transition anomaly around 6 K, varying within a factor of 3. In addition, we find field-induced anomalies giving rise to pronounced features in the sample length for two out of these nine crystals for temperatures T < 9 K. We tentatively assign the latter effects to B-induced magnetic clusters suspected to nucleate around crystal imperfections. These B-induced effects are absent for the crystals where the 6 K anomaly is most strongly pronounced. The large lattice effects observed at 6 K are consistent with proposed pairing instabilities of fermionic excitations breaking the lattice symmetry. The strong sample-to-sample variation in the size of the phase transition anomaly suggests that the conversion of the fermions to bosons at the instability is only partial and to some extent influenced by not yet identified sample-specific parameters.

  4. Antimicrobial peptide (Cn-AMP2) from liquid endosperm of Cocos nucifera forms amyloid-like fibrillar structure.

    Science.gov (United States)

    Gour, Shalini; Kaushik, Vibha; Kumar, Vijay; Bhat, Priyanka; Yadav, Subhash C; Yadav, Jay K

    2016-04-01

    Cn-AMP2 is an antimicrobial peptide derived from liquid endosperm of coconut (Cocos nucifera). It consists of 11 amino acid residues and predicted to have high propensity for β-sheet formation that disposes this peptide to be amyloidogenic. In the present study, we have examined the amyloidogenic propensities of Cn-AMP2 in silico and then tested the predictions under in vitro conditions. The in silico study revealed that the peptide possesses high amyloidogenic propensity comparable with Aβ. Upon solubilisation and agitation in aqueous buffer, Cn-AMP2 forms visible aggregates that display bathochromic shift in the Congo red absorbance spectra, strong increase in thioflavin T fluorescence and fibrillar morphology under transmission electron microscopy. All these properties are typical of an amyloid fibril derived from various proteins/peptides including Aβ. Copyright © 2016 European Peptide Society and John Wiley & Sons, Ltd.

  5. Interplay between CN-Ligands and the Secondary Coordination Sphere of the H-Cluster in [FeFe]-Hydrogenases.

    Science.gov (United States)

    Lampret, Oliver; Adamska-Venkatesh, Agnieszka; Konegger, Hannes; Wittkamp, Florian; Apfel, Ulf-Peter; Reijerse, Edward J; Lubitz, Wolfgang; Rüdiger, Olaf; Happe, Thomas; Winkler, Martin

    2017-12-20

    The catalytic cofactor of [FeFe]-hydrogenses (H-cluster) is composed of a generic cubane [4Fe-4S]-cluster (4Fe H ) linked to a binuclear iron-sulfur cluster (2Fe H ) that has an open coordination site at which the reversible conversion of protons to molecular hydrogen occurs. The (2Fe H ) subsite features a diatomic coordination sphere composed of three CO and two CN - ligands affecting its redox properties and providing excellent probes for FTIR spectroscopy. The CO stretch vibrations are very sensitive to the redox changes within the H-cluster occurring during the catalytic cycle, whereas the CN - signals seem to be relatively inert to these effects. This could be due to the more structural role of the CN - ligands tightly anchoring the (2Fe H ) unit to the protein environment through hydrogen bonding. In this work we explore the effects of structural changes within the secondary ligand sphere affecting the CN - ligands on FTIR spectroscopy and catalysis. By comparing the FTIR spectra of wild-type enzyme and two mutagenesis variants, we are able to assign the IR signals of the individual CN - ligands of the (2Fe H ) site for different redox states of the H-cluster. Moreover, protein film electrochemistry reveals that targeted manipulation of the secondary coordination sphere of the proximal CN - ligand (i.e., closest to the (4Fe H ) site) can affect the catalytic bias. These findings highlight the importance of the protein environment for re-adjusting the catalytic features of the H-cluster in individual enzymes and provide valuable information for the design of artificial hydrogenase mimics.

  6. Li dynamics in carbon-rich polymer-derived SiCN ceramics probed by NMR

    Science.gov (United States)

    Baek, Seung-Ho; Reinold, Lukas; Graczyk-Zajac, Magdalena; Riedel, Ralf; Hammerath, Franziska; Buechner, Bernd; Grafe, Hajo

    2014-03-01

    We report 7Li, 29Si, and 13C NMR studies of two different carbon-rich SiCN ceramics SiCN-1 and SiCN-3 derived from the preceramic polymers polyphenylvinylsilylcarbodiimide and polyphenylvinylsilazane, respectively. From the spectral analysis of the three nuclei at room temperature, we find that only the 13C spectrum is strongly influenced by Li insertion/extraction, suggesting that carbon phases are the major electrochemically active sites for Li storage. Temperature and Larmor frequency (ωL) dependences of the 7Li linewidth and spin-lattice relaxation rates T1-1 are described by an activated law with the activation energy EA of 0.31 eV and the correlation time τ0 in the high temperature limit of 1.3 ps. The 3 / 2 power law dependence of T1-1 on ωL which deviates from the standard Bloembergen, Purcell, and Pound (BPP) model implies that the Li motion on the μs timescale is governed by continuum diffusion mechanism rather than jump diffusion. On the other hand, the rotating frame relaxation rate T1ρ-1 results suggest that the slow motion of Li on the ms timescale may be affected by complex diffusion and/or non-diffusion processes.

  7. CN abundance variations in the shell of IRC +10216

    International Nuclear Information System (INIS)

    Wootten, A.; Lichten, S.M.; Sahai, R.; Wannier, P.G.

    1982-01-01

    First observations of the N = 2-1 line of CN at 226.9 GHz are reported. High-resolution maps of IRC+10216 and OMC-1 show that the peak in both sources is compact but resolved in our 30'' beam. In IRC+10216 the emission extends approx.70'' at the line center velocity. A model for CN excitation and the absence of infrared vibration--rotation absorption lines suggest the presence of a source of CN molecules in the outer circumstellar shell. Examination of chemical, expansion, and photodissociation time scales in the outer shell leads to the identification of HCN photodissociation by the interstellar radiation field as a plausible source. This model explains the large discrepancy in the CN abundance predicted by chemical equilibrium models of the shell and confirms the importance of photodissociation in the chemistry of circumstellar shells. Maps and spectra were also made in OMC-1 and OMC-2. In OMC-1, CN emission lies along a narrow ridge, peaking in the BN/KL region

  8. 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

  9. Strong Electroweak Symmetry Breaking

    CERN Document Server

    Grinstein, Benjamin

    2011-01-01

    Models of spontaneous breaking of electroweak symmetry by a strong interaction do not have fine tuning/hierarchy problem. They are conceptually elegant and use the only mechanism of spontaneous breaking of a gauge symmetry that is known to occur in nature. The simplest model, minimal technicolor with extended technicolor interactions, is appealing because one can calculate by scaling up from QCD. But it is ruled out on many counts: inappropriately low quark and lepton masses (or excessive FCNC), bad electroweak data fits, light scalar and vector states, etc. However, nature may not choose the minimal model and then we are stuck: except possibly through lattice simulations, we are unable to compute and test the models. In the LHC era it therefore makes sense to abandon specific models (of strong EW breaking) and concentrate on generic features that may indicate discovery. The Technicolor Straw Man is not a model but a parametrized search strategy inspired by a remarkable generic feature of walking technicolor,...

  10. Comparative analysis of super-shedder strains of Escherichia coli O157:H7 reveals distinctive genomic features and a strongly aggregative adherent phenotype on bovine rectoanal junction squamous epithelial cells.

    Science.gov (United States)

    Cote, Rebecca; Katani, Robab; Moreau, Matthew R; Kudva, Indira T; Arthur, Terrance M; DebRoy, Chitrita; Mwangi, Michael M; Albert, Istvan; Raygoza Garay, Juan Antonio; Li, Lingling; Brandl, Maria T; Carter, Michelle Q; Kapur, Vivek

    2015-01-01

    Shiga toxin-producing Escherichia coli O157:H7 (O157) are significant foodborne pathogens and pose a serious threat to public health worldwide. The major reservoirs of O157 are asymptomatic cattle which harbor the organism in the terminal recto-anal junction (RAJ). Some colonized animals, referred to as "super-shedders" (SS), are known to shed O157 in exceptionally large numbers (>104 CFU/g of feces). Recent studies suggest that SS cattle play a major role in the prevalence and transmission of O157, but little is known about the molecular mechanisms associated with super-shedding. Whole genome sequence analysis of an SS O157 strain (SS17) revealed a genome of 5,523,849 bp chromosome with 5,430 open reading frames and two plasmids, pO157 and pSS17, of 94,645 bp and 37,446 bp, respectively. Comparative analyses showed that SS17 is clustered with spinach-associated O157 outbreak strains, and belongs to the lineage I/II, clade 8, D group, and genotype 1, a subgroup of O157 with predicted hyper-virulence. A large number of non-synonymous SNPs and other polymorphisms were identified in SS17 as compared with other O157 strains (EC4115, EDL933, Sakai, TW14359), including in key adherence- and virulence-related loci. Phenotypic analyses revealed a distinctive and strongly adherent aggregative phenotype of SS17 on bovine RAJ stratified squamous epithelial (RSE) cells that was conserved amongst other SS isolates. Molecular genetic and functional analyses of defined mutants of SS17 suggested that the strongly adherent aggregative phenotype amongst SS isolates is LEE-independent, and likely results from a novel mechanism. Taken together, our study provides a rational framework for investigating the molecular mechanisms associated with SS, and strong evidence that SS O157 isolates have distinctive features and use a LEE-independent mechanism for hyper-adherence to bovine rectal epithelial cells.

  11. 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...

  12. Tolerance and Tachyphylaxis to Head Twitches Induced by the 5-HT2A Agonist 25CN-NBOH in Mice.

    Science.gov (United States)

    Buchborn, Tobias; Lyons, Taylor; Knöpfel, Thomas

    2018-01-01

    The serotonin (5-HT) 2A receptor is the primary molecular target of serotonergic hallucinogens, which trigger large-scale perturbations of the cortex. Our understanding of how 5-HT 2A activation may cause the effects of hallucinogens has been hampered by the receptor unselectivity of most of the drugs of this class. Here we used 25CN-NBOH (N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine), a newly developed selective 5-HT 2A agonist, and tested it with regard to the head-twitch-response (HTR) model of 5-HT 2A activity and effects on locomotion. 25CN-NBOH evoked HTRs with an inverted u-shape-like dose-response curve and highest efficacy at 1.5 mg/kg, i.p. HTR occurrence peaked within 5 min after agonist injection, and exponentially decreased to half-maximal frequency at ~11 min. Thorough habituation to the experimental procedures (including handling, saline injection, and exposure to the observational boxes 1 day before the experiment) facilitated the animals' response to 25CN-NBOH. 25CN-NBOH (1.5 mg/kg, i.p.) induced HTRs were blocked by the 5-HT 2A antagonist ketanserin (0.75 mg/kg, 30 min pre), but not by the 5-HT 2C antagonist SB-242084 (0.5 mg/kg, i.p., 30 min pre). SB-242084 instead slightly increased the number of HTRs occurring at a 3.0-mg/kg dose of the agonist. Apart from HTR induction, 25CN-NBOH also modestly increased locomotor activity of the mice. Repeated once-per-day injections (1.5 mg/kg, i.p.) led to reduced occurrence of 25CN-NBOH induced HTRs. This intermediate tolerance was augmented when a second (higher) dose of the drug (3.0 mg/kg) was interspersed. Short-interval tolerance (i.e., tachyphylaxis) was observed when the drug was injected twice at intervals of 1.0 and 1.5 h at either dose tested (1.5 mg/kg and 0.75 mg/kg, respectively). Inducing ketanserin-sensitive HTRs, which are dependent on environmental valences and which show signs of tachyphylaxis and tolerance, 25CN-NBOH shares striking features common to serotonergic

  13. Tolerance and Tachyphylaxis to Head Twitches Induced by the 5-HT2A Agonist 25CN-NBOH in Mice

    Directory of Open Access Journals (Sweden)

    Tobias Buchborn

    2018-02-01

    Full Text Available The serotonin (5-HT 2A receptor is the primary molecular target of serotonergic hallucinogens, which trigger large-scale perturbations of the cortex. Our understanding of how 5-HT2A activation may cause the effects of hallucinogens has been hampered by the receptor unselectivity of most of the drugs of this class. Here we used 25CN-NBOH (N-(2-hydroxybenzyl-2,5-dimethoxy-4-cyanophenylethylamine, a newly developed selective 5-HT2A agonist, and tested it with regard to the head-twitch-response (HTR model of 5-HT2A activity and effects on locomotion. 25CN-NBOH evoked HTRs with an inverted u-shape-like dose-response curve and highest efficacy at 1.5 mg/kg, i.p. HTR occurrence peaked within 5 min after agonist injection, and exponentially decreased to half-maximal frequency at ~11 min. Thorough habituation to the experimental procedures (including handling, saline injection, and exposure to the observational boxes 1 day before the experiment facilitated the animals' response to 25CN-NBOH. 25CN-NBOH (1.5 mg/kg, i.p. induced HTRs were blocked by the 5-HT2A antagonist ketanserin (0.75 mg/kg, 30 min pre, but not by the 5-HT2C antagonist SB-242084 (0.5 mg/kg, i.p., 30 min pre. SB-242084 instead slightly increased the number of HTRs occurring at a 3.0-mg/kg dose of the agonist. Apart from HTR induction, 25CN-NBOH also modestly increased locomotor activity of the mice. Repeated once-per-day injections (1.5 mg/kg, i.p. led to reduced occurrence of 25CN-NBOH induced HTRs. This intermediate tolerance was augmented when a second (higher dose of the drug (3.0 mg/kg was interspersed. Short-interval tolerance (i.e., tachyphylaxis was observed when the drug was injected twice at intervals of 1.0 and 1.5 h at either dose tested (1.5 mg/kg and 0.75 mg/kg, respectively. Inducing ketanserin-sensitive HTRs, which are dependent on environmental valences and which show signs of tachyphylaxis and tolerance, 25CN-NBOH shares striking features common to serotonergic

  14. Effect of pillar modules and their stoichiometry in 3D porous frameworks of Zn(II) with [Fe(CN)6]3-: high CO2/N2 and CO2/CH4 selectivity.

    Science.gov (United States)

    Hazra, Arpan; Bonakala, Satyanarayana; Reddy, Sandeep K; Balasubramanian, Sundaram; Maji, Tapas Kumar

    2013-10-07

    We report the synthesis, single-crystal structural characterization, and selective gas adsorption properties of three new 3D metal-organic frameworks of Zn(II), {[Zn3(bipy)3(H2O)2][Fe(CN)6]2·2(bipy)·3H2O}n (1), {[Zn3(bipy)][Fe(CN)6]2·(C2H5OH)·H2O}n (2), and {[Zn3(azpy)2(H2O)2][Fe(CN)6]2·4H2O}n (3) (bipy = 4,4'-bipyridyl and azpy = 4,4'-azobipyridyl), bridged by [Fe(CN)6](3-) and exobidentate pyridyl-based linkers. Compounds 1-3 have been successfully isolated by varying the organic linkers (bipy and azpy) and their ratios during the synthesis at RT. Frameworks 1 and 3 feature a biporous-type network. At 195 K, compounds 1-3 selectively adsorb CO2 and completely exclude other small molecules, such as N2, Ar, O2, and CH4. Additionally, we have also tested the CO2 uptake capacity of 1 and 3 at ambient temperatures. By using the isotherms measured at 273 and 293 K, we have calculated the isosteric heat of CO2 adsorption, which turned out to be 35.84 and 35.53 kJ mol(-1) for 1 and 3, respectively. Furthermore, a reasonably high heat of H2 adsorption (7.97 kJ mol(-1) for 1 and 7.73 kJ mol(-1) for 3) at low temperatures suggests strong interaction of H2 molecules with the unsaturated Zn(II) metal sites and as well as with the pore surface. Frameworks 1 and 3 show high selectivity to CO2 over N2 and CH4 at 273 K, as calculated based on the IAST model. The high values of ΔH(CO2) and ΔH(H2) stem from the preferential electrostatic interaction of CO2 with the unsaturated metal sites, pendent nitrogen atoms of [Fe(CN)6](3-), and π-electron cloud of bipyridine aromatic rings as understood from first-principles density functional theory based calculations.

  15. Enhanced Rate Capability of Polymer-Derived SiCN Anode Material for Electrochemical Storage of Lithium with 3-D Carbon Nanotube Network Dispersed in Nanoscale.

    Science.gov (United States)

    Zhang, Junwei; Xu, Caihong; Liu, Zhaoping; Wang, Wei; Xin, Xing; Shen, Lu; Zhou, Xiaobing; Zhou, Jie; Huang, Qing

    2015-04-01

    Electrochemical performances of multi-walled carbon nanotubes (CNT)-SiCN composite have been investigated. The sample was synthesized by a simple ultrasonication assisted method combined with high-temperature pyrolysis and characterized by Fourier transform infrared spectra, Raman spectra, X-ray diffraction, field emission scanning electron microscopy and transmission electronic microscopy. In this composite, CNT were uniformly distributed in the SiCN ceramic matrix, it retained the structural integrity during the polymer-ceramic conversion and had a relatively strong bonding with the SiCN ceramic matrix. When tested as anode in the half cell, the obtained composite exhibited enhanced rate capability and cyclic capacity than that of pristine SiCN powder, CNT and graphite, it could supply a capacity of 222.7 mA h/g when charged at 2000 mA/g, while the SiCN anode showed nearly no capacity even at the low current density of 200 mA/g. It is expected that the CNT-SiCN composite, perhaps the series of CNT-PDC composites, may be prospective candidate for high power applications.

  16. A new route to multifunctionalized p-terphenyls and heteroaryl analogues via [5C + 1C(N)] annulation strategy.

    Science.gov (United States)

    Zhang, Lei; Liang, Fushun; Cheng, Xin; Liu, Qun

    2009-01-16

    p-Terphenyls and heteroaryl analogues including bipyridines were prepared via [5C + 1C(N)] annulation of alpha-aryl-alpha-alkenoyl ketene-(S,S)-acetals (five carbon 1,5-bielectrophilic species) with nitroethane or ammonium acetate. The reaction features mild conditions, multisubstitution, and functional group tolerance and is metal catalyst free. The present protocol provides a new alternative to the conventional methodologies for the synthesis of teraryls.

  17. 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 ...

  18. EST Table: CN375203 [KAIKOcDNA[Archive

    Lifescience Database Archive (English)

    Full Text Available CN375203 rzhswab0_003107 10/09/28 100 %/199 aa ref|NP_001166288.1| sericin 2 isofor...m 2 precursor [Bombyx mori] gb|ADB04958.1| sericin 2 precursor [Bombyx mori] 10/09/01 low homology 10/08/28

  19. EST Table: CN375202 [KAIKOcDNA[Archive

    Lifescience Database Archive (English)

    Full Text Available CN375202 rzhswab0_006736 10/09/28 98 %/193 aa ref|NP_001166288.1| sericin 2 isoform... 2 precursor [Bombyx mori] gb|ADB04958.1| sericin 2 precursor [Bombyx mori] 10/09/01 low homology 10/08/28 l

  20. APOGEE [C/N] Abundances Across the Milky Way

    Science.gov (United States)

    Hasselquist, Sten; Holtzman, Jon; Tayar, Jamie; Shetrone, Matthew; Johnson, Jennifer; Weinberg, David; Bird, Jonathan; Fernandez-Trincado, Jose; Feuillet, Diane; Hearty, Fred; Lane, Richard; Villanova, Sandro; Zamora, Olga; APOGEE team

    2018-01-01

    The Apache Point Observatory Galactic Evolution Experiment (APOGEE) provides precise carbon and nitrogen abundances for over 100,000 red giant stars across the Milky Way Galaxy (MW). Recently, it has been shown that the carbon-to-nitrogen ratio (often expressed as [C/N]) can be indicative of the mass of a red giant star, from which an age can be inferred. In this work, we reaffirm that [C/N] can be used as a mass indicator for APOGEE red giants from Data Release 14 (DR14) and present [C/N] vs. [Fe/H] abundance tracks for red giants star across the MW (3 1.0 kpc). We trace the youngest stars in the APOGEE sample and find a metallicity gradient in [Fe/H] of -0.074 dex/kpc across the Galaxy from 6 kpc to 12 kpc. This is in agreement with the gradient found over a similar radial range using young stars of the CoRoGEE sample (Anders et al. 2017). Additionally, we find that the more metal-rich stars located in the plane of the outer Galaxy (R > 7 kpc) tend to exhibit enhanced [C/N] relative to the more metal-poor stars, indicating that the metal-rich stars are actually older. We explore possible formation scenarios of these stars and find that radial migration is a plausible explanation for their current location in the Galaxy.

  1. Preparation of CN x /Carbon Nanotube Intramolecular Junctions by ...

    African Journals Online (AJOL)

    Preparation of CN x /Carbon Nanotube Intramolecular Junctions by Switching Gas Sources in Continuous Chemical Vapour Deposition. ... nanotubes were observed, and such different structures at both sides of the junctions indicated some interesting properties and offered potential applications for future nanodevices.

  2. EST Table: CN211963 [KAIKOcDNA[Archive

    Lifescience Database Archive (English)

    Full Text Available CN211963 rzhswbb0_006380 10/09/28 100 %/136 aa ref|NP_001040402.1| preimplantation ...protein [Bombyx mori] gb|ABF51322.1| preimplantation protein [Bombyx mori] 10/09/01 87 %/137 aa FBpp0116991|

  3. 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#

  4. Patterns of chemokine receptor expression on peripheral blood gamma delta T lymphocytes: strong expression of CCR5 is a selective feature of V delta 2/V gamma 9 gamma delta T cells.

    Science.gov (United States)

    Glatzel, Andrea; Wesch, Daniela; Schiemann, Florian; Brandt, Ernst; Janssen, Ottmar; Kabelitz, Dieter

    2002-05-15

    Gammadelta T lymphocytes play an important role in the immune defense against infection, based on the unique reactivity of human Vdelta2Vgamma9 gammadelta T cells toward bacterial phosphoantigens. Chemokines and their corresponding receptors orchestrate numerous cellular reactions, including leukocyte migration, activation, and degranulation. In this study we investigated the expression of various receptors for inflammatory and homeostatic chemokines on peripheral blood gammadelta T cells and compared their expression patterns with those on alphabeta T cells. Although several of the analyzed receptors (including CCR6, CCR7, CXCR4, and CXCR5) were not differentially expressed on gammadelta vs alphabeta T cells, gammadelta T cells expressed strongly increased levels of the RANTES/macrophage inflammatory protein-1alpha/-1beta receptor CCR5 and also enhanced levels of CCR1-3 and CXCR1-3. CCR5 expression was restricted to Vdelta2 gammadelta T cells, while the minor subset of Vdelta1 gammadelta T cells preferentially expressed CXCR1. Stimulation with heat-killed extracts of Mycobacterium tuberculosis down-modulated cell surface expression of CCR5 on gammadelta T cells in a macrophage-dependent manner, while synthetic phosphoantigen isopentenyl pyrophosphate and CCR5 ligands directly triggered CCR5 down-modulation on gammadelta T cells. The functionality of chemokine receptors CCR5 and CXCR3 on gammadelta T cells was demonstrated by Ca(2+) mobilization and chemotactic response to the respective chemokines. Our results identify high level expression of CCR5 as a characteristic and selective feature of circulating Vdelta2 gammadelta T cells, which is in line with their suspected function as Th1 effector T cells.

  5. Dissociative adsorption of environment-friendly insulating medium C3F7CN on Cu(111) and Al(111) surface: A theoretical evaluation

    Science.gov (United States)

    Zhang, Xiaoxing; Li, Yi; Chen, Dachang; Xiao, Song; Tian, Shuangshuang; Tang, Ju; Wang, Dibo

    2018-03-01

    SF6 is extensively used in electrical applications because of its excellent insulation and arc extinguishing performance, but its strong greenhouse effect has negative impact on the atmosphere. The excellent performance of C3F7CN in greenhouse effect, insulation ability, safety, and thermal stability has been demonstrated, indicating that this compound can replace SF6 in electrical applications. However, little information is available on the compatibility of C3F7CN with metals, such as copper and aluminum, in devices. Material compatibility between new gas mixtures and materials used in Gas Insulated Switchgear (GIS) should be investigated to determine the long-term behavior of materials. In this paper, dissociative adsorption of C3F7CN on Cu (1 1 1) and Al (1 1 1) surfaces were analyzed based on density functional theory. Adsorption energy, charge transfer, density of states, and electron density difference of interaction between C3F7CN and two metals were analyzed. It was found that the adsorption energy of C3F7CN adsorbed on Cu (1 1 1) and Al (1 1 1) is both below 0.8 eV. This value indicates that the interaction between them is not very strong. In addition, the dissociation reaction path of gas molecules after adsorption requires certain activation energy. Therefore, C3F7CN and copper or aluminum have certain compatibility and the compatibility of C3F7CN with aluminum is better than that of copper. Related results provide a reference for predicting the aging mechanism of equipment and the selection or modification of major materials for equipment.

  6. Comparison of CN-Band Strengths in Open Clusters

    Science.gov (United States)

    Hufnagel, B.

    1996-12-01

    Spectra at ~ 5 Angstroms resolution in the 3600--4600 Angstroms wavelength range have been obtained for 27 stars in the field of the old open cluster (M67) (NGC 2682) and for 14 stars of the younger Pleiades. Based on synthetic spectra (Briley 1996, private communication) of 23 M67 G-dwarf members and 14 Pleiads, the violet CN-band index is found to be adequate to detect a star-to-star spread in [N/H] for these G-dwarf spectra. No such [N/H] inhomogeneity was indicated. This is consistent with findings for unevolved stars in other open clusters, but is unlike the bimodality in CN-band strengths seen in globular cluster unevolved stars [Suntzeff 1989, in The Abundance Spread within Globular Clusters, (Paris, Obs. de Paris), 71: NGC 6752) and (Briley et al. 1994, AJ 108, 2183): 47 Tuc]. This homogeneity is also different than the significant spread in CN-band strengths of evolved stars in three other as old or older open clusters, Melotte 66, NGC 188, and NGC 6791 (Anthony-Twarog et al., 1994, AJ, 106, 486; McClure 1974, ApJ, 194, 355; and Hufnagel et al. 1995, AJ, 110, 693, respectively). This result is consistent with an evolutionary process that creates a dispersion in the CN-band strength distribution of evolved stars, but is only effective for stars turning off the main-sequence with a mass lower than some threshold mass, as suggested by other workers (e.g., Gilroy 1989, ApJ, 347, 835). The Pleiads were successfully modeled using enhanced [O/H] values (King 1994, PASP, 106, 423) and depleted [C/H] values, contrary to previous high-resolution results (e.g., Boesgaard & Friel 1990, ApJ, 351, 467).

  7. EST Table: CN212174 [KAIKOcDNA[Archive

    Lifescience Database Archive (English)

    Full Text Available CN212174 rzhswab0_007010 10/09/28 77 %/192 aa ref|NP_001166288.1| sericin 2 isoform... 2 precursor [Bombyx mori] gb|ADB04958.1| sericin 2 precursor [Bombyx mori] 10/09/01 n.h 10/08/28 n.h 10/09/10 n.h 10/09/10 n.h 10/09/10 n.h BB985569 L12 ...

  8. Fabrication of nano-scaled polymer-derived SiAlCN ceramic components using focused ion beam

    Science.gov (United States)

    Tian, Ye; Shao, Gang; Wang, Xingwei; An, Linan

    2013-09-01

    Fully dense polymer-derived amorphous silicoaluminum carbonitride (SiAlCN) ceramics were synthesized from polysilazane as preceramic precursors followed by a thermal decomposition process. The nanofabrication of amorphous SiAlCN ceramics was implemented with a focused ion beam (FIB). FIB conditions such as the milling rate, the beam current, and the number of passes were considered. It was found that nanopatterns with a feature size of less than 100 nm could be fabricated onto polymer-derived ceramics (PDCs) precisely and quickly. Specific nanostructures of thin walls, nozzle, and gear have been fabricated as demonstrations, indicating that the FIB technique was a promising method to realize nanostructures on PDCs, especially for microelectromechanical system and micro/nano-sensor applications.

  9. Fabrication of nano-scaled polymer-derived SiAlCN ceramic components using focused ion beam

    International Nuclear Information System (INIS)

    Tian, Ye; Wang, Xingwei; Shao, Gang; An, Linan

    2013-01-01

    Fully dense polymer-derived amorphous silicoaluminum carbonitride (SiAlCN) ceramics were synthesized from polysilazane as preceramic precursors followed by a thermal decomposition process. The nanofabrication of amorphous SiAlCN ceramics was implemented with a focused ion beam (FIB). FIB conditions such as the milling rate, the beam current, and the number of passes were considered. It was found that nanopatterns with a feature size of less than 100 nm could be fabricated onto polymer-derived ceramics (PDCs) precisely and quickly. Specific nanostructures of thin walls, nozzle, and gear have been fabricated as demonstrations, indicating that the FIB technique was a promising method to realize nanostructures on PDCs, especially for microelectromechanical system and micro/nano-sensor applications. (paper)

  10. 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

  11. 7 CFR Appendix C to Part 225 - Child Nutrition (CN) Labeling Program

    Science.gov (United States)

    2010-01-01

    ... commercially prepared product makes toward meal pattern requirements and a review of the CN label statement to... products that contribute significantly to the meat/meat alternate component of meal pattern requirements of... appendix the following definitions apply: (a) CN label is a food product label that contains a CN label...

  12. 7 CFR Appendix C to Part 226 - Child Nutrition (CN) Labeling Program

    Science.gov (United States)

    2010-01-01

    ... commercially prepared product makes toward meal pattern requirements and a review of the CN label statement to... products that contribute significantly to the meat/meat alternate component of meal pattern requirements of... appendix the following definitions apply: (a) CN label is a food product label that contains a CN label...

  13. Radiation-induced transformations of isolated CH3CN molecules in noble gas matrices

    Science.gov (United States)

    Kameneva, Svetlana V.; Volosatova, Anastasia D.; Feldman, Vladimir I.

    2017-12-01

    The transformations of isolated CH3CN molecules in various solid noble-gas matrices (Ne, Ar, Kr, and Xe) under the action of X-ray irradiation at 5 K were investigated by FTIR spectroscopy. The main products are CH3NC, CH2CNH and CH2NCH molecular isomers as well as CH2CN and CH2NC radicals. The matrix has a strong effect on the distribution of reaction channels. In particular, the highest relative yield of keteneimine (CH2CNH) was found in Ne matrix, whereas the formation of CH3NC predominates in xenon. It was explained by differences in the matrix ionization energy (IE) resulting in different distributions of hot ionic reactions. The reactions of neutral excited states are mainly involved in Xe matrix with low IE, while the isomerization of the primary acetonitrile positive ions may be quite effective in Ne and Ar. Annealing of the irradiated samples results in mobilization of trapped hydrogen atoms followed by their reactions with radicals to yield parent molecule and its isomers. The scheme of the radiation-induced processes and its implications for the acetonitrile chemistry in cosmic ices are discussed.

  14. Quantum electrodynamics of strong fields

    International Nuclear Information System (INIS)

    Greiner, W.

    1983-01-01

    Quantum Electrodynamics of Strong Fields provides a broad survey of the theoretical and experimental work accomplished, presenting papers by a group of international researchers who have made significant contributions to this developing area. Exploring the quantum theory of strong fields, the volume focuses on the phase transition to a charged vacuum in strong electric fields. The contributors also discuss such related topics as QED at short distances, precision tests of QED, nonperturbative QCD and confinement, pion condensation, and strong gravitational fields In addition, the volume features a historical paper on the roots of quantum field theory in the history of quantum physics by noted researcher Friedrich Hund

  15. Magnetic anisotropy of [Mo(CN)7]4- anions and fragments of cyano-bridged magnetic networks.

    Science.gov (United States)

    Chibotaru, Liviu F; Hendrickx, Marc F A; Clima, Sergiu; Larionova, Joulia; Ceulemans, Arnout

    2005-08-18

    Quantum chemistry calculations of CASSCF/CASPT2 level together with ligand field analysis are used for the investigation of magnetic anisotropy of [Mo(CN)7]4- complexes. We have considered three types of heptacyano environments: two ideal geometries, a pentagonal bipyramid and a capped trigonal prism, and the heptacyanomolybdate fragment of the cyano-bridged magnetic network K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O. At all geometries the first excited Kramers doublet is found remarkably close to the ground one due to a small orbital energy gap in the ligand field spectrum, which ranges between a maximal value in the capped trigonal prism (800 cm(-1)) and zero in the pentagonal bipyramid. The small value of this gap explains (i) the axial form of the g tensor and (ii) the strong magnetic anisotropy even in strongly distorted complexes. Comparison with available experimental data for the g tensor of the mononuclear precursors reveals good agreement with the present calculations for the capped trigonal prismatic complex and a significant discrepancy for the pentagonal bipyramidal one. The calculations for the heptacyanomolybdate fragment of K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O give g(perpendicular)/g(parallel) approximately 0.5 and the orientation of the local anisotropy axis close to the symmetry axis of an idealized pentagonal bipyramid. These findings are expected to be important for the understanding of the magnetism of anisotropic Mo(III)-Mn(II) cyano-bridged networks based on the [Mo(CN)7]4- building block.

  16. Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n

    Science.gov (United States)

    Liu, Dong-Sheng; Chen, Wen-Tong; Ye, Guang-Ming; Zhang, Jing; Sui, Yan

    2017-12-01

    A new multifunctional mixed-valence copper(I/II) coordination polymer, {[CuCN][Cu(isonic)2]}n(1) (Hisonic = isonicotinic acid), was synthesized by treating isonicotinic acid and 5-amino-tetrazolate (Hatz = 5-amino-tetrazolate) with copper(II) salts under hydrothermal conditions, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound exhibit noncentrosymmetric polar packing arrangement. It is three-dimensional (3D) framework with (3,5)-connected 'seh-3' topological network constructed from metal organic framework {[Cu(isonic)2]}n and the inorganic linear chain{Cu(CN)}n subunits. A remarkable feature of 1 is the rhombic open channels that are occupied by a linear chain of {Cu(CN)}n. Impressively compound 1 displays not only a second harmonic generation (SHG) response, but also a ferroelectric behavior and magnetic properties.

  17. 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

  18. In-Situ Measurements of HCN and CH3CN In the Pacific Troposphere: Sources, Sinks, and Comparisons with Satellite Observations

    Science.gov (United States)

    Singh, Hanwant B.; Salas, L.; Herlth, D.; Viezee, W.; Jacob, D.; Blake, D.; Sachse, G.; Hipskind, R. Stephen (Technical Monitor)

    2002-01-01

    A new capillary gas chromatographic method using a Reduction Gas Detector was developed to measure HCN and CH3CN in the remote troposphere. This instrumental configuration was deployed for the very first time in the Trace-P field mission performed during the spring of 2001. The NASA DC-8 aircraft afforded an opportunity to measure HCN and CH3CN in polluted and pristine environments over the Pacific to a maximum altitude of 12 km. These are some of the first in situ measurements of the distribution of HCN and CH3CN over the Pacific. Large background concentrations of both nitriles were found to be present and significant variability was observed. The abundance of HCN and CH3CN was strongly impacted by outflow of pollution from Asia. In general there appeared to be a direct but nonlinear relationship between the mixing ratios of HCN and CH3CN. The vertical structure of these chemicals shows direct evidence of the presence of a significant oceanic sink. These observations will be compared with the column content HCN data from satellites and other available measurements. A large body of data have been collected and are being analyzed, both statistically and with the help of models, to better understand the sources and sinks of these nitriles. These results will be presented.

  19. The rate of the reaction between CN and C2H2 at interstellar temperatures

    Science.gov (United States)

    Woon, D. E.; Herbst, E.

    1997-01-01

    The rate coefficient for the important interstellar reaction between CN and C2H2 has been calculated as a function of temperature between 10 and 300 K. The potential surface for this reaction has been determined through ab initio quantum chemical techniques; the potential exhibits no barrier in the entrance channel but does show a small exit channel barrier, which lies below the energy of reactants. Phase-space calculations for the reaction dynamics, which take the exit channel barrier into account, show the same unusual temperature dependence as determined by experiment, in which the rate coefficient at first increases as the temperature is reduced below room temperature and then starts to decrease as the temperature drops below 50-100 K. The agreement between theory and experiment provides strong confirmation that the reaction occurs appreciably at cool interstellar temperatures.

  20. GTLine – Gasoline as a potential CN suppressant for GTL

    KAUST Repository

    Reijnders, Jos

    2018-03-23

    The main driver to investigate low temperature combustion concepts, such as partially premixed combustion (PPC), is the promise of low particulate matter (PM) and nitric oxide (NOx) emissions. A critical prerequisite for PPC is to temporally isolate the fuel injection and combustion events. In practice, exhaust gas recirculation (EGR) is applied in order to sufficiently extend the ignition delay to that effect. Hereby, in general, higher EGR rates are necessary for fuels with higher cetane numbers (CN). Against this background, the objective of this paper is to investigate the efficacy, with respect to PM-NOx emissions and engine efficiency, of gasoline as a potential gas-to-liquid (GTL) CN suppressant in various dosages. The performance of the resulting GTLine blend will be evaluated under PPC operating conditions in a heavy-duty direct-injected diesel engine. Setting aside for a moment any potential practical issues (e.g., flash point, vapor pressure) that fall outside the scope of this study, our data suggest that blending gasoline to otherwise high CN GTL appears to be a promising route to improve not only the efficiency, but also PM and NOx emissions, particularly when operating in PPC mode. Interestingly, this benefit is notwithstanding the high aromaticity of the gasoline compared to GTL. Given the ongoing dieselization trend and associated surplus of gasoline in many regions, notably Europe, along with the fact that the cost price of gasoline is significantly lower than that of GTL, the proposed GTLine approach promises to be a cost effective way to accommodate GTL in a world wherein low temperature combustion concepts, such as PPC, appear to be really taking off.

  1. Lithium dynamics in carbon-rich polymer-derived SiCN ceramics probed by nuclear magnetic resonance

    Science.gov (United States)

    Baek, Seung-Ho; Reinold, Lukas Mirko; Graczyk-Zajac, Magdalena; Riedel, Ralf; Hammerath, Franziska; Büchner, Bernd; Grafe, Hans-Joachim

    2014-05-01

    We report 7Li, 29Si, and 13C NMR studies of two different carbon-rich SiCN ceramics SiCN-1 and SiCN-3 derived from the preceramic polymers polyphenylvinylsilylcarbodiimide and polyphenylvinylsilazane, respectively. From the spectral analysis of the three nuclei, we find that only the 13C spectrum is strongly influenced by Li insertion/extraction, suggesting that carbon phases are the major electrochemically active sites for Li storage. Temperature (T) and Larmor frequency (ωL) dependences of the 7Li linewidth and spin-lattice relaxation rates T1-1 are described by an activated law with the activation energy EA of 0.31 eV and the correlation time τ0 in the high temperature limit of 1.3 ps. The 3 / 2 power law dependence of T1-1 on ωL which deviates from the standard Bloembergen, Purcell, and Pound (BPP) model implies that the Li motion on the μs timescale is governed by continuum diffusion mechanism rather than jump diffusion. On the other hand, the rotating frame relaxation rate T1ρ-1 results suggest that the slow motion of Li on the ms timescale may be affected by complex diffusion and/or non-diffusion processes.

  2. Online feature selection with streaming features.

    Science.gov (United States)

    Wu, Xindong; Yu, Kui; Ding, Wei; Wang, Hao; Zhu, Xingquan

    2013-05-01

    We propose a new online feature selection framework for applications with streaming features where the knowledge of the full feature space is unknown in advance. We define streaming features as features that flow in one by one over time whereas the number of training examples remains fixed. This is in contrast with traditional online learning methods that only deal with sequentially added observations, with little attention being paid to streaming features. The critical challenges for Online Streaming Feature Selection (OSFS) include 1) the continuous growth of feature volumes over time, 2) a large feature space, possibly of unknown or infinite size, and 3) the unavailability of the entire feature set before learning starts. In the paper, we present a novel Online Streaming Feature Selection method to select strongly relevant and nonredundant features on the fly. An efficient Fast-OSFS algorithm is proposed to improve feature selection performance. The proposed algorithms are evaluated extensively on high-dimensional datasets and also with a real-world case study on impact crater detection. Experimental results demonstrate that the algorithms achieve better compactness and higher prediction accuracy than existing streaming feature selection algorithms.

  3. Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

    Science.gov (United States)

    Garcia, Gustavo A; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H; Loison, Jean-Christophe

    2017-07-07

    We present the photoelectron spectroscopy of four radical species, CH x CN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH 3 CN (CH x CN + F → CH x-1 CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H 2 CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H 2 CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X + 1 A 1 ←X 2 B 1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN + , CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (Δ f H 298 0 (HCCN + (X 2 A ' ))=1517±12kJmol -1 ,Δ f H 298 0 (CCN(X 2 Π))=682±13kJmol -1 , and Δ f H 298 0 (CNC(X 2 Πg))=676±12kJmol -1 ), which are of fundamental importance for astrochemistry.

  4. Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals

    Science.gov (United States)

    Garcia, Gustavo A.; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H.; Loison, Jean-Christophe

    2017-07-01

    We present the photoelectron spectroscopy of four radical species, CHxCN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH3CN (CHxCN + F → CHx-1CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H2CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H2CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X+1A1←X 2B1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN+, CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (ΔfH2980(HCCN+(X2A')) =1517 ± 12 kJmol-1,ΔfH2980(CCN(X2Π ) ) =682 ± 13 kJmol-1 , and ΔfH2980(CNC(X2Π g) ) =676 ± 12 kJmol-1) , which are of fundamental importance for astrochemistry.

  5. Vapochromic Behaviour of M[Au(CN2]2-Based Coordination Polymers (M = Co, Ni

    Directory of Open Access Journals (Sweden)

    Daniel B. Leznoff

    2012-03-01

    Full Text Available A series of M[Au(CN2]2(analytex coordination polymers (M = Co, Ni; analyte = dimethylsulfoxide (DMSO, N,N-dimethylformamide (DMF, pyridine; x = 2 or 4 was prepared and characterized. Addition of analyte vapours to solid M(μ-OH2[Au(CN2]2 yielded visible vapochromic responses for M = Co but not M = Ni; the IR νCN spectral region changed in every case. A single crystal structure of Zn[Au(CN2]2(DMSO2 revealed a corrugated 2-D layer structure with cis-DMSO units. Reacting a Ni(II salt and K[Au(CN2] in DMSO yielded the isostructural Ni[Au(CN2]2(DMSO2 product. Co[Au(CN2]2(DMSO2 and M[Au(CN2]2(DMF2 (M = Co, Ni complexes have flat 2-D square-grid layer structures with trans-bound DMSO or DMF units; they are formed via vapour absorption by solid M(μ-OH2[Au(CN2]2 and from DMSO or DMF solution synthesis. Co[Au(CN2]2(pyridine4 is generated via vapour absorption by Co(μ-OH2[Au(CN2]2; the analogous Ni complex is synthesized by immersion of Ni(μ-OH2[Au(CN2]2 in 4% aqueous pyridine. Similar immersion of Co(μ-OH2[Au(CN2]2 yielded Co[Au(CN2]2(pyridine2, which has a flat 2-D square-grid structure with trans-pyridine units. Absorption of pyridine vapour by solid Ni(μ-OH2[Au(CN2]2 was incomplete, generating a mixture of pyridine-bound complexes. Analyte-free Co[Au(CN2]2 was prepared by dehydration of Co(μ-OH2[Au(CN2]2 at 145 °C; it has a 3-D diamondoid-type structure and absorbs DMSO, DMF and pyridine to give the same materials as by vapour absorption from the hydrate.

  6. Role of prophylactic central neck dissection in cN0 papillary thyroid cancer

    Science.gov (United States)

    Costa, S; Giugliano, G; Santoro, L; Ywata De Carvalho, A; Massaro, MA; Gibelli, B; De Fiori, E; Grosso, E; Ansarin, M; Calabrese, L

    2009-01-01

    Summary Prophylactic central neck dissection in papillary thyroid cancer is controversial. In this retrospective cohort study, the aim was to assess possible advantages of prophylactic central neck dissection with total thyroidectomy in cN0 papillary thyroid cancer. A total of 244 consecutive patients with papillary thyroid cancer, without clinical and ultrasound nodal metastases (cN0), were evaluated out of 1373 patients operated for a thyroid disease at the Istituto Europeo di Oncologia, Milan, Italy from 1994 to 2006. Of these 244 patients, 126 (Group A) underwent thyroidectomy with central neck dissection, while 118 (Group B) underwent thyroidectomy alone. Demographic, clinical and pathological features were analysed. Overall recurrence rate was 6.3% (8/126) in Group A and 7.7% (9/118) in Group B, with a mean follow-up of 47 (Group A) and 64 (Group B) months. In Group A patients, 47% were pN1a and all patients with recurrence had nodal involvement (p = 0.002). Survival rate did not differ in the two groups. Nine patients were lost to follow-up. Group A patients were older and their tumours were larger in size; according to the pT distribution, a higher extra-capsular invasion rate was observed. The two groups were equivalent as far as concerns histological high risk variants and multifocality. Nodal metastases correlated with stage: pT1-2 vs. pT3-T4a, p = 0.0036. A lower risk of nodal metastases was related to thyroiditis (p = 0.0034). In conclusion, central neck metastases were predictive of recurrence without influencing prognosis. From data obtained, possible greatest efficacy of central neck dissection in pT3-4 papillary thyroid cancer without thyroiditis is suggested. PMID:20111614

  7. Humic acid batteries derived from vermicomposts at different C/N ratios

    Science.gov (United States)

    Shamsuddin, R. M.; Borhan, A.; Lim, W. K.

    2017-06-01

    Humic acid is a known fertilizer derived from decomposed organic matters. Organic wastes are normally landfilled for disposal which had contributed negatively to the environment. From waste-to-wealth perspective, such wastes are potential precursors for compost fertilizers. When worms are added into a composting process, the process is termed as vermicomposting. In this work, humic acid from vermicompost derived from campus green wastes was developed into a battery. This adds value proposition to compost instead of being traditionally used solely as soil improver. This research work aimed to study the correlation between electrical potential generated by humic acid at different Carbon to Nitrogen (C/N) ratios of vermicompost at 20, 25, 30 and 35. The temperature and pH profiles of composting revealed that the compost was ready after 55 days. The humic acid was extracted from compost via alkaline extraction followed by precipitation in a strong acid. The extracted humic acid together with other additives were packed into a compartment and termed as vermibattery. Another set of battery running only on the additives was also prepared as a control. The net voltage produced by a single vermibattery cell with Zn and PbO electrodes was in the range of 0.31 to 0.44 V with compost at C/N ratio of 30 gave the highest voltage. The battery can be connected in series to increase the voltage generation. Quality assessment on the compost revealed that the final carbon content is between 16 to 23 wt%, nitrogen content of 0.4 to 0.5 wt%, humic acid yield of 0.7 to 1.5 wt% and final compost mass reduction of 10 to 35 wt%. Composting campus green wastes carries multi-fold benefits of reducing labour requirement, generating fertilizer for campus greenery and green battery construction.

  8. trans-K3[TcO2(CN4

    Directory of Open Access Journals (Sweden)

    Sayandev Chatterjee

    2010-08-01

    Full Text Available The structure of the title compound, tripotassium trans-tetracyanidodioxidotechnetate(V, is isotypic with its Re analogue. The [TcO2(CN4]3− trans-tetracyanidodioxidotechnetate anion has a slightly distorted octahedral configuration. The Tc atom is located on a center of inversion and is bound to two O atoms in axial and to four cyanide ligands in equatorial positions. The Tc—O distance is consistent with a double-bond character. The two potassium cations, one located on a center of inversion and one in a general position, reside in octahedral or tetrahedral environments, respectively. K...O and K...N interactions occur in the 2.7877 (19–2.8598 (15 Å range.

  9. MLS/Aura Level 2 Methyl Cyanide (CH3CN) Mixing Ratio V004 (ML2CH3CN) at GES DISC

    Data.gov (United States)

    National Aeronautics and Space Administration — ML2CH3CN is the EOS Aura Microwave Limb Sounder (MLS) standard product for methyl cyanide derived from radiances measured by the 640 GHz radiometer. The data version...

  10. MLS/Aura Level 2 Methyl Cyanide (CH3CN) Mixing Ratio V003 (ML2CH3CN) at GES DISC

    Data.gov (United States)

    National Aeronautics and Space Administration — ML2CH3CN is the EOS Aura Microwave Limb Sounder (MLS) standard product for methyl cyanide derived from radiances measured by the 640 GHz radiometer. The data version...

  11. Strong-interaction nonuniversality

    International Nuclear Information System (INIS)

    Volkas, R.R.; Foot, R.; He, X.; Joshi, G.C.

    1989-01-01

    The universal QCD color theory is extended to an SU(3) 1 direct product SU(3) 2 direct product SU(3) 3 gauge theory, where quarks of the ith generation transform as triplets under SU(3)/sub i/ and singlets under the other two factors. The usual color group is then identified with the diagonal subgroup, which remains exact after symmetry breaking. The gauge bosons associated with the 16 broken generators then form two massive octets under ordinary color. The interactions between quarks and these heavy gluonlike particles are explicitly nonuniversal and thus an exploration of their physical implications allows us to shed light on the fundamental issue of strong-interaction universality. Nonuniversality and weak flavor mixing are shown to generate heavy-gluon-induced flavor-changing neutral currents. The phenomenology of these processes is studied, as they provide the major experimental constraint on the extended theory. Three symmetry-breaking scenarios are presented. The first has color breaking occurring at the weak scale, while the second and third divorce the two scales. The third model has the interesting feature of radiatively induced off-diagonal Kobayashi-Maskawa matrix elements

  12. Threshold Ionization Spectroscopy of La(CH_{3}CN) and La(C_{4}H_{9}CN) Radicals Formed by la Reactions with Alkane Nitriles

    Science.gov (United States)

    Ullah, Ahamed; Kim, Jong Hyun; Cao, Wenjin; Yang, Dong-Sheng

    2017-06-01

    La atom reactions with acetonitrile (CH_{3}CN) and pentanenitrile (C_{4}H_{9}CN) are carried out in a laser-vaporization supersonic molecular beam source. Metal-containing species are observed using time-of-flight mass spectrometry. In this talk, we report the mass-analyzed threshold ionization (MATI) spectroscopic characterization of two metal-containing radicals, La(CH_{3}CN) and La(C_{4}H_{9}CN), formed by La associations with acetonitrile and pentanenitrile, respectively. Adiabatic ionization energies of the two La-alkane nitrile species and their vibrational frequencies are measured from the MATI spectra. Metal-ligand binding modes and molecular structures are investigated by comparing the spectroscopic measurements with density functional theory calculations and spectral simulations. For both alkane nitriles, the preferred La binding site is identified to be the nitrile group with a π-bind mode, the resultant metal complexes are three-membered metallacycles. While a single isomer is observed for La(CH_{3}CN), two rotational conformers are identified for La(C_{4}H_{9}CN). The binding and structures of these metal-alkane nitrile radicals are different from those formed by metal ion reactions, where metal ions were reported to favor σ binding with the nitrogen atom. K. Eller, W. Zummack, H. Schwarz, L. M. Roth, B. S. Freiser, J. Am. Chem. Soc., 1991, 113, 833-839

  13. InterProScan Result: CN375201 [KAIKOcDNA[Archive

    Lifescience Database Archive (English)

    Full Text Available CN375201 CN375201_2_ORF2 8A3835D3A94B2D47 PANTHER PTHR11461 SERINE PROTEASE INHIBITOR, SERP...IN 0.00057 T IPR000215 Protease inhibitor I4, serpin Molecular Function: serine-type endopeptidase inhibitor activity (GO:0004867) ...

  14. 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) ...

  15. Surface hopping study of the photodissociation dynamics of ICN- and BrCN-

    Science.gov (United States)

    Opoku-Agyeman, Bernice; McCoy, Anne B.

    2018-02-01

    In this work the efficacy of semi-classical surface hopping approaches is investigated through studies of the photodissociation dynamics of BrCN- and ICN-. BrCN- provides a challenging situation for semi-classical approaches as excitation to the first bright state yields both Br- + CN and Br∗ + CN- products. Further, this branching is highly sensitive to the amount of rotational energy in the CN0/- fragment. The results of semi-classical and quantum mechanical descriptions of the dynamics are compared when the classical dynamics are propagated in an adiabatic and diabatic representation. The implications of the differences between the classical and quantum treatments of J = 0 are also explored.

  16. Embrittlement in CN3MN Grade Superaustenitic Stainless Steels

    Science.gov (United States)

    Başkan, Mertcan; Chumbley, Scott L.; Kalay, Yunus Eren

    2014-05-01

    Superaustenitic stainless steels (SSS) are widely used in extreme environments such as off-shore oil wells, chemical and food processing equipment, and seawater systems due to their excellent corrosion resistance and superior toughness. The design of the corresponding heat treatment process is crucial to create better mechanical properties. In this respect, the short-term annealing behavior of CN3MN grade SSS was investigated by a combined study of Charpy impact tests, hardness measurements, scanning and transmission electron microscopy. Specimens were heat treated at 1200 K (927 °C) for up to 16 minutes annealing time and their impact strengths and hardnesses were tested. The impact toughness was found to decrease to less than the half of the initial values while hardness stayed the same. Detailed fracture surface analyses revealed a ductile to brittle failure transition for relatively short annealing times. Brittle fracture occurred in both intergranular and transgranular modes. SEM and TEM indicated precipitation of nano-sized intermetallics, accounting for the intergranular embrittlement, along the grain boundaries with respect to annealing time. The transgranular fracture originated from linear defects seen to exist within the grains. Close observation of such defects revealed stacking-fault type imperfections, which lead to step-like cracking observed in microlength scales.

  17. Testing strong interaction theories

    International Nuclear Information System (INIS)

    Ellis, J.

    1979-01-01

    The author discusses possible tests of the current theories of the strong interaction, in particular, quantum chromodynamics. High energy e + e - interactions should provide an excellent means of studying the strong force. (W.D.L.)

  18. Microstructure evolution and mechanical properties of TiCN-Cr nano/micro composite coatings prepared by reactive plasma spraying

    Science.gov (United States)

    Zhang, Fanyong; He, Jining; Chen, Kai; Qin, Yanfang; Li, Chao; Yin, Fuxing

    2018-01-01

    Nanostructured TiCN based composite coatings with various Cr content were prepared by reactive plasma spray (RPS) from mixed powder (Ti-graphite + Cr) under nitrogen atmosphere. Results showed that composite coatings consisted mainly of TiC0.7N0.3 phase and residual metal Cr. Metal Cr plates were homogeneously embedded in TiCN matrix with good interface bond. The TiCN-Cr composite coatings exhibited lower porosity than TiCN coatings, but increasing porosity with excess Cr addition (30 wt.%). The TiCN-20 wt.% Cr coating showed the highest hardness (1309 HV0.2) among composite coatings, slight lower than the TiCN matrix coating (1526 HV0.2). Compared with the TiCN matrix coating, the TiCN-Cr composite coatings showed higher variability in surface microhardness distribution. The TiCN-Cr composite coatings showed slight higher friction coefficients (0.4-0.6) than TiCN matrix coating (0.35). The wear resistance of TiCN-Cr composite coatings was improved with less mass loss compared with TiCN coating under the test load of 400 N. The TiCN-Cr composite coatings with high Cr content showed the mixture of abrasive and adhesive wear.

  19. The Charm and Beauty of Strong Interactions

    Science.gov (United States)

    El-Bennich, Bruno

    2018-01-01

    We briefly review common features and overlapping issues in hadron and flavor physics focussing on continuum QCD approaches to heavy bound states, their mass spectrum and weak decay constants in different strong interaction models.

  20. 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.

  1. 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...... 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...... analysis (BRT), including fifteen site and environmental variables. Ninety-five percent of the C:N ratios were between 16 and 44 in the forest floor, between 13 and 44 in the peat topsoil and between 10 and 32 in the mineral topsoil. Within the aerated forest floor and the mineral soil, the C:N ratios...

  2. Four Decades of TiO/CN Classification Photometry

    Science.gov (United States)

    Wing, Robert F.

    2009-01-01

    Photometry on the writer's eight-color narrow-band system has entered its 40th year. This poster, in connection with the HAD Special Session on "Photometry: Past and Present," reviews the history of the system and its applications. Employing interference filters approximately 50 Å in width to measure the strongest bands of TiO, VO, and CN as well as continuum points in the 7000 -- 11000 Å spectral region, the system is used primarily to provide two-dimensional spectral classifications for M stars. A precision of 0.1 spectral subtype is routinely obtained for normal stars of type K4.0 or later. The first two sets of filters were manufactured in 1969, and the first observations were made with the Perkins 1.8-m telescope at Lowell Observatory. A decade later, after some of the original filters had deteriorated, new filter sets were made for several individuals and observatories including KPNO and CTIO. During the 1970s, observations were made with S-1 photomultipliers and the emphasis was on bright stars. Later, with the acquisition of the more sensitive Varian LSE photocells by both KPNO and CTIO, observations extended to red giant cluster members, K and M supergiants in the Magellanic Clouds, and faint suspected Galactic supergiants. Observations were briefly interrupted when the ASCAP photometer at CTIO was taken out of service in 2001, but were resumed in 2003 with the establishment of the SMARTS consortium. Large-format filters representing the first 6 filters of the 8-color system have been acquired to allow work by CCD imaging. At least 15 observers have contributed an estimated 16,000 sets of narrow-band data for approximately 5000 different stars to date.

  3. Transition Dipole Moments and Transition Probabilities of the CN Radical

    Science.gov (United States)

    Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2018-04-01

    This paper studies the transition probabilities of electric dipole transitions between 10 low-lying states of the CN radical. These states are X2Σ+, A2Π, B2Σ+, a4Σ+, b4Π, 14Σ‑, 24Π, 14Δ, 16Σ+, and 16Π. The potential energy curves are calculated using the CASSCF method, which is followed by the icMRCI approach with the Davidson correction. The transition dipole moments between different states are calculated. To improve the accuracy of potential energy curves, core–valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are included. The Franck–Condon factors and Einstein coefficients of emissions are calculated. The radiative lifetimes are determined for the vibrational levels of the A2Π, B2Σ+, b4Π, 14Σ‑, 24Π, 14Δ, and 16Π states. According to the transition probabilities and radiative lifetimes, some guidelines for detecting these states spectroscopically are proposed. The spin–orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The splitting energy in the A2Π state is determined to be 50.99 cm‑1, which compares well with the experimental ones. The potential energy curves, transition dipole moments, spectroscopic parameters, and transition probabilities reported in this paper can be considered to be very reliable. The results obtained here can be used as guidelines for detecting these transitions, in particular those that have not been measured in previous experiments or have not been observed in the Sun, comets, stellar atmospheres, dark interstellar clouds, and diffuse interstellar clouds.

  4. Synthesis and characterization of high quantum yield and oscillator strength 6-chloro-2-(4-cynophenyl)-4-phenyl quinoline (cl-CN-DPQ) organic phosphor for solid-state lighting.

    Science.gov (United States)

    Ghate, Minakshi; Dahule, H K; Thejo Kalyani, N; Dhoble, S J

    2018-03-01

    A novel blue luminescent 6-chloro-2-(4-cynophenyl) substituted diphenyl quinoline (Cl-CN DPQ) organic phosphor has been synthesized by the acid-catalyzed Friedlander reaction and then characterized to confirm structural, optical and thermal properties. Structural properties of Cl-CN-DPQ were analyzed by Fourier transform infrared (FTIR), nuclear magnetic resonance (NMR) spectroscopy, X-ray diffraction technique (XRD) and scanning electron microscopy (SEM) and energy dispersive analysis of X-ray (EDAX) spectroscopy. FTIR spectra confirmed the presence of different functional groups and bond stretching. 1 H-NMR and 13 C-NMR confirmed the formation of an organic Cl-CN-DPQ compound. X-ray diffraction study provided its crystalline nature. The surface morphology of Cl-CN-DPQ was analyzed by SEM, while EDAX spectroscopy revealed the elemental analysis. Differential thermal analysis (TGA/DTA) disclosed its thermal stability up to 250°C. The optical properties of Cl-CN-DPQ were investigated by UV-vis absorption and photoluminescence (PL) measurements. Cl-CN-DPQ exhibits intense blue emission at 434 nm in a solid-state crystalline powder with CIE co-ordinates (0.157, 0.027), when excited at 373 nm. Cl-CN-DPQ shows remarkable Stokes shift in the range 14800-5100 cm -1 , which is the characteristic feature of intense light emission. A narrow full width at half-maximum (FWHM) value of PL spectra in the range 42-48 nm was observed. Oscillator strength, energy band gap, quantum yield, and fluorescence energy yield were also examined using UV-vis absorption and photoluminescence spectra. These results prove its applications towards developing organic luminescence devices and displays, organic phosphor-based solar cells and displays, organic lasers, chemical sensors and many more. Copyright © 2017 John Wiley & Sons, Ltd.

  5. MLS/Aura Level 2 Methyl Cyanide (CH3CN) Mixing Ratio V004

    Data.gov (United States)

    National Aeronautics and Space Administration — ML2CH3CN is the EOS Aura Microwave Limb Sounder (MLS) standard product for methyl cyanide derived from radiances measured by the 640 GHz radiometer. The current...

  6. Engine Performance Test of the 1975 Chrysler - Nissan Model CN633 Diesel Engine

    Science.gov (United States)

    1975-09-01

    An engine test of the Chrysler-Nissan Model CN633 diesel engine was performed to determine its steady-state fuel consumption and emissions (HC, CO, NOx) maps. The data acquired are summarized in this report.

  7. MLS/Aura L2 Methyl Cyanide (CH3CN) Mixing Ratio V002

    Data.gov (United States)

    National Aeronautics and Space Administration — ML2CH3CN is the EOS Aura Microwave Limb Sounder (MLS) standard product for methyl cyanide derived from radiances measured by the 190 GHz radiometer. The current...

  8. MLS/Aura L2 Methyl Cyanide (CH3CN) Mixing Ratio V003

    Data.gov (United States)

    National Aeronautics and Space Administration — ML2CH3CN is the EOS Aura Microwave Limb Sounder (MLS) standard product for methyl cyanide derived from radiances measured by the 640 GHz radiometer. The current...

  9. Hydrothermal synthesis, structural, Raman, and luminescence studies of Am[M(CN)2]3.3H2O and Nd[M(CN)2]3.3H2O (M=Ag, Au): Bimetallic coordination polymers containing both trans-plutonium and transition metal elements

    International Nuclear Information System (INIS)

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

    2007-01-01

    The polymeric compounds consisting of the man-made element, americium, and gold and silver dicyanides were prepared under mild hydrothermal conditions at 120 deg. C. It was found that the americium ion and the transition metal ions are interconnected through cyanide bridging in the compounds. Given the similarities in the radii of americium and neodymium, crystals of the latter were also characterized for comparison purposes. The four compounds are isostructural and crystallize in the hexagonal space group, P6 3 /mcm, with only slight differences in their unit cell parameters. Crystallographic data (MoKα, λ=0.71073 A): Am[Ag(CN) 2 ] 3 .3H 2 O (1), a=6.7205(10) A, c=18.577(3) A, V=726.64(19), Z=2; Am[Au(CN) 2 ] 3 .3H 2 O (2),a=6.666(2) A, c=18.342(3) A, V=705.9(4), Z=2; Nd[Ag(CN) 2 ] 3 .3H 2 O (3), a=6.7042(4) A, c=18.6199(14) A, V=724.77(8), Z=2; and Nd[Au(CN) 2 ] 3 .3H 2 O (4), a=6.6573(13) A, c=18.431(4) A, V=707.2(2), Z=2. The coordination around the Am and/or Nd consists of six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three capping oxygen atoms of coordinated water molecules complete the tricapped trigonal prismatic coordination environment, providing a total coordination number of nine for the f-elements. Raman spectroscopy, which compliments the structural analyses, reveals that the four compounds display strong signals in the ν CN stretching region. When compared with KAg(CN) 2 or KAu(CN) 2 , the ν CN stretching frequencies for these compounds blue-shift due to bridging of the dicyanometallate ions with the f-element ions. There is subsequent reduction in electron density at the cyanide center. Compared with the silver systems, the ν CN frequency appears at higher energy in the gold dicyanide complexes. This shift is consistent with the structural data where the carbon-nitrogen bond distance is found to be shorter in the gold dicyanides. - Graphical abstract: Coordination polymeric compounds between the 'man-made' trans

  10. Theoretical study for the reaction of CH3CN with O(3P)

    Science.gov (United States)

    Sun, Jingyu; Tang, Yizhen; Jia, Xiujuan; Wang, Fang; Sun, Hao; Feng, Jingdong; Pan, Xiumei; Hao, Lizhu; Wang, Rongshun

    2010-02-01

    The low-lying triplet and singlet potential energy surfaces of the O(P3)+CH3CN reaction have been studied at the G3(MP2)//B3LYP/6-311+G(d,p) level. On the triplet surface, six kinds of pathways are revealed, namely, direct hydrogen abstraction, C-addition/elimination, N-addition/elimination, substitution, insertion, and H-migration. Multichannel Rice-Ramsperger-Kassel-Marcus theory and transition-state theory are employed to calculate the overall and individual rate constants over a wide range of temperatures and pressures. It is predicted that the direct hydrogen abstraction and C-addition/elimination on triplet potential energy surface are dominant pathways. Major predicted end products include CH3+NCO and CH2CN+OH. At atmospheric pressure with Ar and N2 as bath gases, CH3C(O)N (IM1) formed by collisional stabilization is dominated at T flames, with estimated contribution of 64% at 2000 K. Furthermore, the calculated rate constants are in good agreement with available experimental data over the temperature range 300-600 K. The kinetic isotope effect has also been calculated for the triplet O(P3)+CH3CN reaction. On the singlet surface, the atomic oxygen can easily insert into C-H or C-C bonds of CH3CN, forming the insertion intermediates s-IM8(HOCH2CN) and s-IM5(CH3OCN) or add to the carbon atom of CN group in CH3CN, forming the addition intermediate s-IM1(CH3C(O)N); both approaches were found to be barrierless. It is indicated that the singlet reaction exhibits a marked difference from the triplet reaction. This calculation is useful to simulate experimental investigations of the O(P3)+CH3CN reaction in the singlet state surface.

  11. 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.

  12. Detection of the aromatic molecule benzonitrile (c-C6H5CN) in the interstellar medium.

    Science.gov (United States)

    McGuire, Brett A; Burkhardt, Andrew M; Kalenskii, Sergei; Shingledecker, Christopher N; Remijan, Anthony J; Herbst, Eric; McCarthy, Michael C

    2018-01-12

    Polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocycles are thought to be widespread throughout the universe, because these classes of molecules are probably responsible for the unidentified infrared bands, a set of emission features seen in numerous Galactic and extragalactic sources. Despite their expected ubiquity, astronomical identification of specific aromatic molecules has proven elusive. We present the discovery of benzonitrile ( c -C 6 H 5 CN), one of the simplest nitrogen-bearing aromatic molecules, in the interstellar medium. We observed hyperfine-resolved transitions of benzonitrile in emission from the molecular cloud TMC-1. Simple aromatic molecules such as benzonitrile may be precursors for polycyclic aromatic hydrocarbon formation, providing a chemical link to the carriers of the unidentified infrared bands. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  13. Detection of the aromatic molecule benzonitrile (c-C6H5CN) in the interstellar medium

    Science.gov (United States)

    McGuire, Brett A.; Burkhardt, Andrew M.; Kalenskii, Sergei; Shingledecker, Christopher N.; Remijan, Anthony J.; Herbst, Eric; McCarthy, Michael C.

    2018-01-01

    Polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocycles are thought to be widespread throughout the universe, because these classes of molecules are probably responsible for the unidentified infrared bands, a set of emission features seen in numerous Galactic and extragalactic sources. Despite their expected ubiquity, astronomical identification of specific aromatic molecules has proven elusive. We present the discovery of benzonitrile (c-C6H5CN), one of the simplest nitrogen-bearing aromatic molecules, in the interstellar medium. We observed hyperfine-resolved transitions of benzonitrile in emission from the molecular cloud TMC-1. Simple aromatic molecules such as benzonitrile may be precursors for polycyclic aromatic hydrocarbon formation, providing a chemical link to the carriers of the unidentified infrared bands.

  14. Strongly Correlated Topological Insulators

    Science.gov (United States)

    2016-02-03

    Strongly Correlated Topological Insulators In the past year, the grant was used for work in the field of topological phases, with emphasis on finding...surface of topological insulators. In the past 3 years, we have started a new direction, that of fractional topological insulators. These are materials...in which a topologically nontrivial quasi-flat band is fractionally filled and then subject to strong interactions. The views, opinions and/or

  15. Strong Cosmic Censorship

    Science.gov (United States)

    Isenberg, James

    2017-01-01

    The Hawking-Penrose theorems tell us that solutions of Einstein's equations are generally singular, in the sense of the incompleteness of causal geodesics (the paths of physical observers). These singularities might be marked by the blowup of curvature and therefore crushing tidal forces, or by the breakdown of physical determinism. Penrose has conjectured (in his `Strong Cosmic Censorship Conjecture`) that it is generically unbounded curvature that causes singularities, rather than causal breakdown. The verification that ``AVTD behavior'' (marked by the domination of time derivatives over space derivatives) is generically present in a family of solutions has proven to be a useful tool for studying model versions of Strong Cosmic Censorship in that family. I discuss some of the history of Strong Cosmic Censorship, and then discuss what is known about AVTD behavior and Strong Cosmic Censorship in families of solutions defined by varying degrees of isometry, and discuss recent results which we believe will extend this knowledge and provide new support for Strong Cosmic Censorship. I also comment on some of the recent work on ``Weak Null Singularities'', and how this relates to Strong Cosmic Censorship.

  16. New insights into the compressibility and high-pressure stability of Ni(CN)2: a combined study of neutron diffraction, Raman spectroscopy, and inelastic neutron scattering.

    Science.gov (United States)

    Mishra, Sanjay K; Mittal, Ranjan; Zbiri, Mohamed; Rao, Rekha; Goel, Prabhatasree; Hibble, Simon J; Chippindale, Ann M; Hansen, Thomas; Schober, Helmut; Chaplot, Samrath L

    2016-02-03

    Nickel cyanide is a layered material showing markedly anisotropic behaviour. High-pressure neutron diffraction measurements show that at pressures up to 20.1 kbar, compressibility is much higher in the direction perpendicular to the layers, c, than in the plane of the strongly chemically bonded metal-cyanide sheets. Detailed examination of the behaviour of the tetragonal lattice parameters, a and c, as a function of pressure reveal regions in which large changes in slope occur, for example, in c(P) at 1 kbar. The experimental pressure dependence of the volume data is fitted to a bulk modulus, B0, of 1050 (20) kbar over the pressure range 0-1 kbar, and to 124 (2) kbar over the range 1-20.1 kbar. Raman spectroscopy measurements yield additional information on how the structure and bonding in the Ni(CN)2 layers change with pressure and show that a phase change occurs at about 1 kbar. The new high-pressure phase, (Phase PII), has ordered cyanide groups with sheets of D4h symmetry containing Ni(CN)4 and Ni(NC)4 groups. The Raman spectrum of phase PII closely resembles that of the related layered compound, Cu1/2Ni1/2(CN)2, which has previously been shown to contain ordered C≡N groups. The phase change, PI to PII, is also observed in inelastic neutron scattering studies which show significant changes occurring in the phonon spectra as the pressure is raised from 0.3 to 1.5 kbar. These changes reflect the large reduction in the interlayer spacing which occurs as Phase PI transforms to Phase PII and the consequent increase in difficulty for out-of-plane atomic motions. Unlike other cyanide materials e.g. Zn(CN)2 and Ag3Co(CN)6, which show an amorphization and/or a decomposition at much lower pressures (~100 kbar), Ni(CN)2 can be recovered after pressurising to 200 kbar, albeit in a more ordered form.

  17. Reactions of the CN radical with benzene and toluene: product detection and low-temperature kinetics.

    Science.gov (United States)

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

    2010-02-04

    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) cm(3) 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 rate coefficient of 1.3 x 10(-10) cm(3) molecule(-1) s(-1) at 105 K. At room temperature, nonexponential 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 (C(6)H(5)CN) is the only product recorded with no detectable evidence for a C(6)H(5) + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC(6)H(4)CH(3)) 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 approximately 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C(6)H(5)CH(2)) 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 ( approximately 100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

  18. Strong Arcwise Connectedness

    OpenAIRE

    Espinoza, Benjamin; Gartside, Paul; Kovan-Bakan, Merve; Mamatelashvili, Ana

    2012-01-01

    A space is `n-strong arc connected' (n-sac) if for any n points in the space there is an arc in the space visiting them in order. A space is omega-strong arc connected (omega-sac) if it is n-sac for all n. We study these properties in finite graphs, regular continua, and rational continua. There are no 4-sac graphs, but there are 3-sac graphs and graphs which are 2-sac but not 3-sac. For every n there is an n-sac regular continuum, but no regular continuum is omega-sac. There is an omega-sac ...

  19. Abortion: Strong's counterexamples fail

    DEFF Research Database (Denmark)

    Di Nucci, Ezio

    2009-01-01

    This paper shows that the counterexamples proposed by Strong in 2008 in the Journal of Medical Ethics to Marquis's argument against abortion fail. Strong's basic idea is that there are cases--for example, terminally ill patients--where killing an adult human being is prima facie seriously morally......'s scenarios have some valuable future or admitted that killing them is not seriously morally wrong. Finally, if "valuable future" is interpreted as referring to objective standards, one ends up with implausible and unpalatable moral claims....

  20. Effect of C/N ratio on extracellular polymeric substances (EPS) and physicochemical properties of activated sludge flocs

    International Nuclear Information System (INIS)

    Ye Fenxia; Ye Yangfang; Li Ying

    2011-01-01

    The influences of C/N ratio on the extracellular polymeric substances (EPS) and physicochemical properties of the activated sludge flocs were investigated using laboratory-scale sequencing batch reactors (SBRs). Flocs sizes decreased when C/N ratio increased from 20 to 100 and decreased from 20 to 4. The amount of total EPS, TB-EPS, and the carbohydrate and protein contents in TB-EPS were independent of the C/N ratio. In LB-EPS, the protein content increased and the carbohydrate content decreased at decreased C/N ratio, whereas the protein content decreased and the carbohydrate content increased at increased C/N ratio. Effluent suspended solids (ESS) content, turbidity, sludge volume index (SVI), capillary suction time (CST), and specific resistance to filtration (SRF) increased when the C/N ratio decreased, indicating poor flocculation, settleability and dewaterability of the flocs. However, when the C/N ratio increased, only ESS content, SVI and CST value increased. These properties of the flocs were deteriorated greatly under decreased C/N ratio as compared to increased C/N ratio. The characteristics of the flocs could be recovered when C/N ratio returned to the original value. Only the content of protein in LB-EPS was positively correlated with the flocculation, settleability and dewaterability of the flocs.

  1. A strong comeback

    International Nuclear Information System (INIS)

    Marier, D.

    1992-01-01

    This article presents the results of a financial rankings survey which show a strong economic activity in the independent energy industry. The topics of the article include advisor turnover, overseas banks, and the increase in public offerings. The article identifies the top project finance investors for new projects and restructurings and rankings for lenders

  2. Photophysics of Aqueous Pt(CN)4(2-).

    Science.gov (United States)

    1981-09-17

    concentration dependence of the more intense absorption bands, however, it was necessary to use a micrometer , variable path-length cell (Beckman-Research...and Industrial Instruments Co., Ltd., England, model BC-14). Pathlength settings would be read to 0.0005 cm directly and to 5xO 5 cm with the vernier ...measurements using t %e micrometer cell are shown in Fig. 1. The features of interest are t ,i lack of concentration dependence of the peak at 280 nm and the

  3. 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.

  4. Voltage-Controlled Switching of Strong Light-Matter Interactions using Liquid Crystals.

    Science.gov (United States)

    Hertzog, Manuel; Rudquist, Per; Hutchison, James A; George, Jino; Ebbesen, Thomas W; Börjesson, Karl

    2017-12-22

    We experimentally demonstrate a fine control over the coupling strength of vibrational light-matter hybrid states by controlling the orientation of a nematic liquid crystal. Through an external voltage, the liquid crystal is seamlessly switched between two orthogonal directions. Using these features, for the first time, we demonstrate electrical switching and increased Rabi splitting through transition dipole moment alignment. The C-N str vibration on the liquid crystal molecule is coupled to a cavity mode, and FT-IR is used to probe the formed vibropolaritonic states. A switching ratio of the Rabi splitting of 1.78 is demonstrated between the parallel and the perpendicular orientation. Furthermore, the orientational order increases the Rabi splitting by 41 % as compared to an isotropic liquid. Finally, by examining the influence of molecular alignment on the Rabi splitting, the scalar product used in theoretical modeling between light and matter in the strong coupling regime is verified. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Understanding Legacy Features with Featureous

    DEFF Research Database (Denmark)

    Olszak, Andrzej; Jørgensen, Bo Nørregaard

    2011-01-01

    Feature-centric comprehension of source code is essential during software evolution. However, such comprehension is oftentimes difficult to achieve due the discrepancies between structural and functional units of object-oriented programs. We present a tool for feature-centric analysis of legacy...

  6. Site Features

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset consists of various site features from multiple Superfund sites in U.S. EPA Region 8. These data were acquired from multiple sources at different times...

  7. Feature Extraction

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    Feature selection and reduction are key to robust multivariate analyses. In this talk I will focus on pros and cons of various variable selection methods and focus on those that are most relevant in the context of HEP.

  8. Solar Features

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Collection includes a variety of solar feature datasets contributed by a number of national and private solar observatories located worldwide.

  9. 1/T1 nuclear relaxation time of κ-(BEDT-TTF)2Cu[N(CN)2]Cl : effects of magnetic frustration

    International Nuclear Information System (INIS)

    Hamad, I J; Trumper, A E; Wzietek, P; Lefebvre, S; Manuel, L O

    2005-01-01

    We study the role played by the magnetic frustration in the antiferromagnetic phase of the organic salt κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl. Using the spatially anisotropic triangular Heisenberg model we analyse previous and newly performed NMR experiments. We compute the 1/T 1 relaxation time by means of the modified spin wave theory. The strong suppression of the nuclear relaxation time observed experimentally under varying pressure and magnetic field is qualitatively well reproduced by the model. Our results suggest the existence of a close relation between the effects of pressure and magnetic frustration

  10. 1/T1 nuclear relaxation time of κ-(BEDT TTF)2Cu[N(CN)2]Cl : effects of magnetic frustration

    Science.gov (United States)

    Hamad, I. J.; Trumper, A. E.; Wzietek, P.; Lefebvre, S.; Manuel, L. O.

    2005-12-01

    We study the role played by the magnetic frustration in the antiferromagnetic phase of the organic salt κ-(BEDT-TTF)2Cu[N(CN)2]Cl. Using the spatially anisotropic triangular Heisenberg model we analyse previous and newly performed NMR experiments. We compute the 1/T1 relaxation time by means of the modified spin wave theory. The strong suppression of the nuclear relaxation time observed experimentally under varying pressure and magnetic field is qualitatively well reproduced by the model. Our results suggest the existence of a close relation between the effects of pressure and magnetic frustration.

  11. 1/T{sub 1} nuclear relaxation time of {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Cl : effects of magnetic frustration

    Energy Technology Data Exchange (ETDEWEB)

    Hamad, I J [Instituto de Fisica Rosario (CONICET) and Universidad Nacional de Rosario, Boulevard 27 de Febrero 210 bis (2000) Rosario (Argentina); Trumper, A E [Instituto de Fisica Rosario (CONICET) and Universidad Nacional de Rosario, Boulevard 27 de Febrero 210 bis (2000) Rosario (Argentina); Wzietek, P [Laboratoire de Physique des Solides (CNRS, URA2), Universite de Paris-sud, Batiment 510, 91405 Orsay (France); Lefebvre, S [Laboratoire de Physique des Solides (CNRS, URA2), Universite de Paris-sud, Batiment 510, 91405 Orsay (France); Manuel, L O [Instituto de Fisica Rosario (CONICET) and Universidad Nacional de Rosario, Boulevard 27 de Febrero 210 bis (2000) Rosario (Argentina)

    2005-12-21

    We study the role played by the magnetic frustration in the antiferromagnetic phase of the organic salt {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Cl. Using the spatially anisotropic triangular Heisenberg model we analyse previous and newly performed NMR experiments. We compute the 1/T{sub 1} relaxation time by means of the modified spin wave theory. The strong suppression of the nuclear relaxation time observed experimentally under varying pressure and magnetic field is qualitatively well reproduced by the model. Our results suggest the existence of a close relation between the effects of pressure and magnetic frustration.

  12. Plasmons in strong superconductors

    International Nuclear Information System (INIS)

    Baldo, M.; Ducoin, C.

    2011-01-01

    We present a study of the possible plasmon excitations that can occur in systems where strong superconductivity is present. In these systems the plasmon energy is comparable to or smaller than the pairing gap. As a prototype of these systems we consider the proton component of Neutron Star matter just below the crust when electron screening is not taken into account. For the realistic case we consider in detail the different aspects of the elementary excitations when the proton, electron components are considered within the Random-Phase Approximation generalized to the superfluid case, while the influence of the neutron component is considered only at qualitative level. Electron screening plays a major role in modifying the proton spectrum and spectral function. At the same time the electron plasmon is strongly modified and damped by the indirect coupling with the superfluid proton component, even at moderately low values of the gap. The excitation spectrum shows the interplay of the different components and their relevance for each excitation modes. The results are relevant for neutrino physics and thermodynamical processes in neutron stars. If electron screening is neglected, the spectral properties of the proton component show some resemblance with the physical situation in high-T c superconductors, and we briefly discuss similarities and differences in this connection. In a general prospect, the results of the study emphasize the role of Coulomb interaction in strong superconductors.

  13. 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.

  14. Exploring the CO/CN line ratio in nearby galaxies with the ALMA archive

    Science.gov (United States)

    Wilson, Christine D.

    2018-03-01

    We describe an archival project using Cycle 0 data from the Atacama Large Millimeter/submilleter Array to survey the CO/CN line ratio in 17 nearby galaxies. CN is an interesting molecule that traces dense gas exposed to ultraviolet radiation and its N = 1 - 0 lines can be observed simultaneously with the CO J = 1 - 0 line. We identify 8 galaxies with distances starburst-dominated regions, which may be in conflict with models of molecular abundances in X-ray dominated regions.

  15. Heat production in growing pigs calculated according to the RQ and CN methods

    DEFF Research Database (Denmark)

    Christensen, K; Chwalibog, André; Henckel, S

    1988-01-01

    1. Heat production, calculated according to the respiratory quotient methods, HE(RQ), and the carbon nitrogen balance method, HE(CN), was compared using the results from a total of 326 balance trials with 56 castrated male pigs fed different dietary composition and variable feed levels during...... the difference. 6. In pigs receiving a cereal based diet, HE(RQ) may be expected to give 3-4% higher values than HE(CN), but in case easily available carbohydrates (glucose, sucrose) or high-fibre diets are provided, the differences may be larger. 7. Both methods were carried out with similar accuracy...

  16. Chemical transitions for interstellar C2 and CN in cloud envelopes

    Science.gov (United States)

    Federman, S. R.; Strom, C. J.; Lambert, D. L.; Cardelli, Jason A.; Smith, V. V.; Joseph, C. L.

    1994-01-01

    Observations were made of absorption from CH, C2, and CN toward moderately reddened stars in Sco, OB2, Ceo OB3, and Taurus/Auriga. For these directions, most of the reddening is associated with a single cloud complex, for example, the rho Ophiuchus molecular cloud, and as a result, the observations probe moderately dense material. When combined with avaliable data for nearby directions, the survey provides the basis for a comprehensive analysis of the chemistry for these species. The chemical transitions affecting C2 and CN in cloud envelopes were analyzed. The depth into a cloud at which a transition takes place was characterized by tau(sub uv), the grain optical depth at 1000 A. One transition at tau(sub uv) approx. = 2, which arises from, the conversion of C(+) into CO, affects the chemistries for both molecules because of the key role this ion plays. A second one involving production terms in the CN chemistry occurs at tau(sub uv) of approx. = 3; neutral reactions which C2 and CH is more important at larger values for tau(sub uv). The transition from photodissociation to chemical destruction takes place at tau(sub uv) approx. = 4.5 for C2 and CN. The observational data for stars in Sco OB2, Cep OB3, and Taurus/Auriga were studied with chemical rate equations containing the most important production and destruction mechanisms. Because the sample of stars in Sco OB2 includes sight lines with A(sub v) ranging from 1-4 mag, sight lines dominated by photochemistry could be analyzed separately from those controlled by gas-phase destruction. The analysis yielded values for two poorly known rate constants for reactions involved in the production of CN; the reactions are C2 + N yields CN + C and C(+) + NH yields all products. The other directions were analyzed with the inferred values. The predicted column densities for C2 and CN agree with the observed values to better than 50%, and in most instances 20%. When combining the estimates for density and temperature derived

  17. Electronic Switch in the Carbon-Centered [Re12CS17(CN6] n−Nanocluster

    Directory of Open Access Journals (Sweden)

    Gabuda SP

    2009-01-01

    Full Text Available Abstract An abrupt change in internuclear Re–Re distances between {Re6} subunits in the carbon-centered [Re12μ6-CS17(CN6] n−complexes caused by the change of the oxidation state (n = 6, 8 is first theoretically shown to be possibly controlled by an external electric field.13C NMR signal is shown to change over ~400 ppm (~37G for μ6-C atom together withn. Thereby, the metal cluster [Re12μ6-CS17(CN6] n−can be considered as a perspective model of a molecular switch.

  18. Strong-coupling approximations

    International Nuclear Information System (INIS)

    Abbott, R.B.

    1984-03-01

    Standard path-integral techniques such as instanton calculations give good answers for weak-coupling problems, but become unreliable for strong-coupling. Here we consider a method of replacing the original potential by a suitably chosen harmonic oscillator potential. Physically this is motivated by the fact that potential barriers below the level of the ground-state energy of a quantum-mechanical system have little effect. Numerically, results are good, both for quantum-mechanical problems and for massive phi 4 field theory in 1 + 1 dimensions. 9 references, 6 figures

  19. Strong interaction and QFD

    International Nuclear Information System (INIS)

    Ebata, T.

    1981-01-01

    With an assumed weak multiplet structure for bosonic hadrons, which is consistent with the ΔI = 1/2 rule, it is shown that the strong interaction effective hamiltonian is compatible with the weak SU(2) x U(1) gauge transformation. Especially the rho-meson transforms as a triplet under SU(2)sub(w), and this is the origin of the rho-photon analogy. It is also shown that the existence of the non-vanishing Cabibbo angle is a necessary condition for the absence of the exotic hadrons. (orig.)

  20. Self-assembled 3D heterometallic Cu(II)/Fe(II) coordination polymers with octahedral net skeletons: structural features, molecular magnetism, thermal and oxidation catalytic properties.

    Science.gov (United States)

    Karabach, Yauhen Y; Guedes da Silva, M Fátima C; Kopylovich, Maximilian N; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Kirillov, Alexander M; Pombeiro, Armando J L

    2010-12-06

    The new three-dimensional (3D) heterometallic Cu(II)/Fe(II) coordination polymers [Cu(6)(H(2)tea)(6)Fe(CN)(6)](n)(NO(3))(2n)·6nH(2)O (1) and [Cu(6)(Hmdea)(6)Fe(CN)(6)](n)(NO(3))(2n)·7nH(2)O (2) have been easily generated by aqueous-medium self-assembly reactions of copper(II) nitrate with triethanolamine or N-methyldiethanolamine (H(3)tea or H(2)mdea, respectively), in the presence of potassium ferricyanide and sodium hydroxide. They have been isolated as air-stable crystalline solids and fully characterized including by single-crystal X-ray diffraction analyses. The latter reveal the formation of 3D metal-organic frameworks that are constructed from the [Cu(2)(μ-H(2)tea)(2)](2+) or [Cu(2)(μ-Hmdea)(2)](2+) nodes and the octahedral [Fe(CN)(6)](4-) linkers, featuring regular (1) or distorted (2) octahedral net skeletons. Upon dehydration, both compounds show reversible escape and binding processes toward water or methanol molecules. Magnetic susceptibility measurements of 1 and 2 reveal strong antiferromagnetic [J = -199(1) cm(-1)] or strong ferromagnetic [J = +153(1) cm(-1)] couplings between the copper(II) ions through the μ-O-alkoxo atoms in 1 or 2, respectively. The differences in magnetic behavior are explained in terms of the dependence of the magnetic coupling constant on the Cu-O-Cu bridging angle. Compounds 1 and 2 also act as efficient catalyst precursors for the mild oxidation of cyclohexane by aqueous hydrogen peroxide to cyclohexanol and cyclohexanone (homogeneous catalytic system), leading to maximum total yields (based on cyclohexane) and turnover numbers (TONs) up to about 22% and 470, respectively.

  1. Strong Coupling Holography

    CERN Document Server

    Dvali, Gia

    2009-01-01

    We show that whenever a 4-dimensional theory with N particle species emerges as a consistent low energy description of a 3-brane embedded in an asymptotically-flat (4+d)-dimensional space, the holographic scale of high-dimensional gravity sets the strong coupling scale of the 4D theory. This connection persists in the limit in which gravity can be consistently decoupled. We demonstrate this effect for orbifold planes, as well as for the solitonic branes and string theoretic D-branes. In all cases the emergence of a 4D strong coupling scale from bulk holography is a persistent phenomenon. The effect turns out to be insensitive even to such extreme deformations of the brane action that seemingly shield 4D theory from the bulk gravity effects. A well understood example of such deformation is given by large 4D Einstein term in the 3-brane action, which is known to suppress the strength of 5D gravity at short distances and change the 5D Newton's law into the four-dimensional one. Nevertheless, we observe that the ...

  2. PREFACE: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Saxena, Siddharth S.; Littlewood, P. B.

    2012-07-01

    This special section is dedicated to the Strongly Correlated Electron Systems Conference (SCES) 2011, which was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 is dedicated to 100 years of superconductivity and covers a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The selected papers derived from invited presentations seek to deepen our understanding of the rich physical phenomena that arise from correlation effects. The focus is on quantum phase transitions, non-Fermi liquid phenomena, quantum magnetism, unconventional superconductivity and metal-insulator transitions. Both experimental and theoretical work is presented. Based on fundamental advances in the understanding of electronic materials, much of 20th century materials physics was driven by miniaturisation and integration in the electronics industry to the current generation of nanometre scale devices. The achievements of this industry have brought unprecedented advances to society and well-being, and no doubt there is much further to go—note that this progress is founded on investments and studies in the fundamentals of condensed matter physics from more than 50 years ago. Nevertheless, the defining challenges for the 21st century will lie in the discovery in science, and deployment through engineering, of technologies that can deliver the scale needed to have an impact on the sustainability agenda. Thus the big developments in nanotechnology may lie not in the pursuit of yet smaller transistors, but in the design of new structures that can revolutionise the performance of solar cells, batteries, fuel cells, light-weight structural materials, refrigeration, water purification, etc. The science presented in the papers of this special section also highlights the underlying interest in energy-dense materials, which

  3. Strong-coupling diffusion in relativistic systems

    Indian Academy of Sciences (India)

    Different from the early universe, heavy-ion collisions at very high energies do not reach statistical equilibrium, although thermal models explain many of their features. To account for nonequilibrium strong-coupling effects, a Fokker–Planck equation with time-dependent diffusion coefficient is proposed. A schematic model ...

  4. LIGO: The strong belief

    CERN Multimedia

    Antonella Del Rosso

    2016-01-01

    Twenty years of designing, building and testing a number of innovative technologies, with the strong belief that the endeavour would lead to a historic breakthrough. The Bulletin publishes an abstract of the Courier’s interview with Barry Barish, one of the founding fathers of LIGO.   The plots show the signals of gravitational waves detected by the twin LIGO observatories at Livingston, Louisiana, and Hanford, Washington. (Image: Caltech/MIT/LIGO Lab) On 11 February, the Laser Interferometer Gravitational-Wave Observatory (LIGO) and Virgo collaborations published a historic paper in which they showed a gravitational signal emitted by the merger of two black holes. These results come after 20 years of hard work by a large collaboration of scientists operating the two LIGO observatories in the US. Barry Barish, Linde Professor of Physics, Emeritus at the California Institute of Technology and former Director of the Global Design Effort for the Internat...

  5. Produksi Biogas dari Campuran Feses Sapi dan Ampas Tebu (Bagasse dengan Rasio C/N yang Berbeda (Biogas Production from Mixture of Dairy Manure and Bagasse with Different C/N Ratio

    Directory of Open Access Journals (Sweden)

    Trisno Saputra

    2012-02-01

    COD value decrease, pH value, biogas temperature, and total biogas volume was different among treatment. The optimal mixture was C/N ratio 30 treatment. The results indicated that bagasse could be used as material mixture in biogas production. (Key words : Biogas, Dairy manure, Bagasse, C/N ratio, Methane

  6. FEATURE ARTICLE

    African Journals Online (AJOL)

    Genetic Role. T1DM is not inherited. It is a multifactorial disease with a strong genetic component that is thought to interact with specific environmental triggers. .... T1DM are education and emotional support, diet and insulin therapy. Education. Education is a continuous process at every stage of the life of the child and the ...

  7. Nitrate leaching in forest ecosystems is related to forest floor C/N ratios

    NARCIS (Netherlands)

    Gundersen, P.; Callesen, I.; Vries, de W.

    1998-01-01

    Relationships between nitrogen (N) output with seepage water and forest floor C/N ratios were analysed by use of three independent datasets: (i) a compilation of input-output studies in temperate forest ecosystems in Europe; (ii) a seven-year nationalDanish survey of nitrate concentrations in forest

  8. Magnetic structure of molecular magnet Fe[Fe(CN)6]·4H2O

    Indian Academy of Sciences (India)

    Abstract. 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 tem- perature disordered (paramagnetic) to an ordered magnetic ...

  9. Rhodium-catalyzed direct ortho C-N bond formation of aromatic azo compounds with azides.

    Science.gov (United States)

    Wang, Hao; Yu, Yang; Hong, Xiaohu; Tan, Qitao; Xu, Bin

    2014-04-04

    An efficient rhodium-catalyzed regioselective C-N bond formation of azo compounds in good to excellent yields through C-H bond functionalization using azides as the nitrogen source was developed. Alkyl, aryl, and sulfonyl azides could be efficiently assembled in this reaction with excellent functional group tolerance.

  10. Magnetic structure of molecular magnet Fe [Fe (CN) 6]· 4H2O

    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 ...

  11. X-ray scattering and the chemical bond in N2 and CN

    NARCIS (Netherlands)

    Groenewegen, P.P.M.; Zeevalkink, J.; Feil, D.

    1971-01-01

    X-ray scattering from the chemical bond within N2 and CN- has been studied in detail. Differences in scattering from these systems, derived from bonding and non-bonding models, are characterized by R values of ~ 0.04. Partitioning of the scattering into core and valence electron parts clearly

  12. Electron paramagnetic resonance of K3Rh(CN)6 irradiated with electrons in KCl

    International Nuclear Information System (INIS)

    Vugman, N.V.

    1970-07-01

    Using a simple theory, it was estimated the electronic density of the diamagnetic complex Rh (CN) 3- 6 in a KCl lattice. The g// and g1 values were determined by EPR, and the experimental results fit the theoretical calculations. (M.W.O.) [pt

  13. Thin TiCN films prepared by hybrid magnetron-laser deposition

    Czech Academy of Sciences Publication Activity Database

    Kocourek, Tomáš; Jelínek, Miroslav; Kadlec, J.; Popov, C.; Santoni, A.

    2007-01-01

    Roč. 4, - (2007), s. 5651-5654 ISSN 1612-8850 R&D Projects: GA ČR GA202/06/0216 Institutional research plan: CEZ:AV0Z10100522 Keywords : laser deposition * magnetron * radio frequency discharge * thin films * TiCN Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.132, year: 2007

  14. Nano-galvanic coupling for enhanced Ag+ release in ZrCN-Ag films : Antibacterial application

    NARCIS (Netherlands)

    Calderon, S.; Ferreri, I.; Henriques, M.; De Hosson, J. T. M.; Cavaleiro, A.; Carvalho, S.

    2016-01-01

    The antibacterial properties of materials developed for medical devices with embedded silver nanoparticles are enhanced by controlling the release of silver ions. In this study, a simple experimental procedure for the augmentation of the silver ion release from ZrCN-Ag coatings is described. The

  15. Characterization of NCAM expression and function in BT4C and BT4Cn glioma cells

    DEFF Research Database (Denmark)

    Andersson, A M; Moran, N; Gaardsvoll, H

    1991-01-01

    . Conversely, no NCAM protein synthesis is observed in BT4Cn cells, even though NCAM mRNA is expressed. Thus, development of an increased metastatic capacity is accompanied by the disappearance of NCAM protein expression in this model system. The functional importance of NCAM expression was studied by a cell...

  16. Dipolar and quadrupolar freezing in (NaCN)1-x(KCN)x

    DEFF Research Database (Denmark)

    Loidl, A.; Schräder, T.; Böhmer, R.

    1986-01-01

    (NaCN)1-x(KCN)x mixed crystals with concentrations x=0.85 and 0.59 have been investigated by elastic and inelastic neutron scattering, X-ray diffraction, and dielectric techniques. Both crystals exhibit neither quadrupolar nor dipolar long-range order down to the lowest temperatures. However...

  17. Photometric Modelling of Close Binary Star CN And DMZ Jassur & A ...

    Indian Academy of Sciences (India)

    Photometric Modelling of Close Binary Star CN And. D. M. Z. Jassur. 1,2,∗. & A. Khodadadi. 2. 1Faculty of Physics, Tabriz University, Tabriz, Iran. ∗ e-mail: Jassur@tabrizu.ac.ir. 2Center for Applied Physics and Astronomical Research, Khadjeh Nassir Addin Observatory,. Tabriz, Iran. Received 2004 April 15; accepted 2006 ...

  18. Radiological Protection Service of CN Asco; Servicio de ProteccionRadiologica de C. N. Asco

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2015-07-01

    Briefly explains the structure of Radiation Protection Service (SPR) of CN Asco to address these performances, as well as a short description of the main activities that have been reinforced or have been incorporated into the routine activities of the SPR. (Author)

  19. Cycle multiplicity of total graph of Cn, Pn, and K1,n | Ali ...

    African Journals Online (AJOL)

    Cycle multiplicity of a graph G is the maximum number of edge disjoint cycles in G. In this paper, we find the cycle multiplicity of total graph of cycles Cn, paths Pn, and star graph K1,n respectively. Keywords: cycle multiplicity, total graph, cycle, path, star graph.

  20. Characterization and antibacterial performance of ZrCN/amorphous carbon coatings deposited on titanium implants

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Chih-Ho [School of Medicine, China Medical University, Taichung, 404 Taiwan (China); Chang, Yin-Yu, E-mail: yinyu@mail2000.com.tw [Department of Mechanical and Computer-Aided Engineering, National Formosa University, Yunlin, Taiwan (China); Huang, Heng-Li [School of Dentistry, China Medical University, Taichung, Taiwan (China); Kao, Ho-Yi [Department of Materials Science and Engineering, Mingdao University, Changhua, Taiwan (China)

    2011-12-30

    Titanium (Ti)-based materials have been used for dental/orthopedic implants due to their excellent biological compatibility, superior mechanical strength and high corrosion resistance. The osseointegration of Ti implants is related to their composition and surface treatment. Better biocompatibility and anti-bacterial performances of Ti implant are beneficial for the osseointegration and for avoiding the infection after implantation surgery. In this study, nanocomposite ZrCN/amorphous carbon (a-C) coatings with different carbon contents were deposited on a bio-grade pure Ti implant material. A cathodic-arc evaporation system with plasma enhanced duct equipment was used for the deposition of ZrCN/a-C coatings. Reactive gas (N{sub 2}) and C{sub 2}H{sub 2} activated by the zirconium plasma in the evaporation process were used to deposit the ZrCN/a-C coatings. To verify the susceptibility of implant surface to bacterial adhesion, Actinobacillus actinomycetemcomitans (A. actinomycetemcomitans), one of the major pathogen frequently found in the dental implant-associated infections, was chosen for in vitro anti-bacterial analyses. In addition, the biocompatibility of human gingival fibroblast (HGF) cells on coatings was also evaluated by a cell proliferation assay. The results suggested that the ZrCN/a-C coatings with carbon content higher than 12.7 at.% can improve antibacterial performance with excellent HGF cell compatibility as well.

  1. Characterization and antibacterial performance of ZrCN/amorphous carbon coatings deposited on titanium implants

    International Nuclear Information System (INIS)

    Lai, Chih-Ho; Chang, Yin-Yu; Huang, Heng-Li; Kao, Ho-Yi

    2011-01-01

    Titanium (Ti)-based materials have been used for dental/orthopedic implants due to their excellent biological compatibility, superior mechanical strength and high corrosion resistance. The osseointegration of Ti implants is related to their composition and surface treatment. Better biocompatibility and anti-bacterial performances of Ti implant are beneficial for the osseointegration and for avoiding the infection after implantation surgery. In this study, nanocomposite ZrCN/amorphous carbon (a-C) coatings with different carbon contents were deposited on a bio-grade pure Ti implant material. A cathodic-arc evaporation system with plasma enhanced duct equipment was used for the deposition of ZrCN/a-C coatings. Reactive gas (N 2 ) and C 2 H 2 activated by the zirconium plasma in the evaporation process were used to deposit the ZrCN/a-C coatings. To verify the susceptibility of implant surface to bacterial adhesion, Actinobacillus actinomycetemcomitans (A. actinomycetemcomitans), one of the major pathogen frequently found in the dental implant-associated infections, was chosen for in vitro anti-bacterial analyses. In addition, the biocompatibility of human gingival fibroblast (HGF) cells on coatings was also evaluated by a cell proliferation assay. The results suggested that the ZrCN/a-C coatings with carbon content higher than 12.7 at.% can improve antibacterial performance with excellent HGF cell compatibility as well.

  2. Strong Plate, Weak Slab Dichotomy

    Science.gov (United States)

    Petersen, R. I.; Stegman, D. R.; Tackley, P.

    2015-12-01

    Models of mantle convection on Earth produce styles of convection that are not observed on Earth.Moreover non-Earth-like modes, such as two-sided downwellings, are the de facto mode of convection in such models.To recreate Earth style subduction, i.e. one-sided asymmetric recycling of the lithosphere, proper treatment of the plates and plate interface are required. Previous work has identified several model features that promote subduction. A free surface or pseudo-free surface and a layer of material with a relatively low strength material (weak crust) allow downgoing plates to bend and slide past overriding without creating undue stress at the plate interface. (Crameri, et al. 2012, GRL)A low viscosity mantle wedge, possibly a result of slab dehydration, decouples the plates in the system. (Gerya et al. 2007, Geo)Plates must be composed of material which, in the case of the overriding plate, are is strong enough to resist bending stresses imposed by the subducting plate and yet, as in the case of the subducting plate, be weak enough to bend and subduct when pulled by the already subducted slab. (Petersen et al. 2015, PEPI) Though strong surface plates are required for subduction such plates may present a problem when they encounter the lower mantle.As the subducting slab approaches the higher viscosity, lower mantle stresses are imposed on the tip.Strong slabs transmit this stress to the surface.There the stress field at the plate interface is modified and potentially modifies the style of convection. In addition to modifying the stress at the plate interface, the strength of the slab affects the morphology of the slab at the base of the upper mantle. (Stegman, et al 2010, Tectonophysics)Slabs that maintain a sufficient portion of their strength after being bent require high stresses to unbend or otherwise change their shape.On the other hand slabs that are weakened though the bending process are more amenable to changes in morphology. We present the results of

  3. Isolation and partial characterization of antimicrobial compounds from a new strain Streptomyces sp. CN207

    International Nuclear Information System (INIS)

    Slama, Nedra; Lazim, Hadeer; Barkallah, Insaf; Limam, Ferid

    2008-01-01

    A distinct streptomyces strains were isolated from Tunisian soil. the isolate designed CN207, was assigned to the genus streptomyces on the basis of morphological and chemotaxonomic criteria. A 16S rDNA sequence of the isolate was determined. Streptomyces sp CN207 secreted large amount antibiotic against gram positive bacteria, gram negative bacteria, yeast and fungi on his barley (HB) medium. (HB) medium was found to be suitable substrate of the medium for CN207 production. Maximum yield of CN207 product (700 mg/ml) after optimize fermentation process. Bioactive molecules from strain CN207 were extracted with ethyl acetate and analyzed by PTLC using silica gel plates.The separated compounds were visualiszed under UV at 254 nm and the active spots were detected by bioautography on silica gel plates using salmonella thyphimurium NRRL B4420 and Staphylococcus aureus CDC 103 as indicator microorganisms. The crude extract (8.36 g) was fractionated on Sep-pack column (C18 cartridge) and elution was performed using a discontinue gradient of methanol-water. Two active fractions eluted by 20% and 40% of methanol were obtained. The bioactive compounds were separated by preparative high performance liquid chromatography (HPLC) on a C18 reversed phase column and eluted with a linear gradient of acetonitrile -water in presence of 0.1% formic acid. The peaks were collected separately, concentrated and bioassayed against the routine indicator microorganisms. The absorption spectrum of the active molecules was determined with a shimadzu UV-160 a spectrophotometer. Determination of the chemical structure of these compounds on the basis on their IR, COSY and H 1: C13 is in progress

  4. 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.

  5. 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.

  6. 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

  7. C/N ratio control and substrate addition for periphyton development jointly enhance freshwater prawn Macrobrachium rosenbergii production in ponds

    NARCIS (Netherlands)

    Asaduzzaman, M.; Wahab, M.A.; Verdegem, M.C.J.; Huque, S.; Salam, M.A.; Azim, M.E.

    2008-01-01

    The present research investigated the effect of carbon/nitrogen ratio (C/N ratio) control in ponds with or without substrate addition for periphyton development on production of giant freshwater prawn. C/N ratios of 10, 15 and 20 were investigated in 40 m¿ 2 ponds stocked with 2 prawn juveniles

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

    Science.gov (United States)

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

    2018-01-25

    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. Copyright © 2018 Nannan et al.

  9. 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.

  10. John Strong (1941 - 2006)

    CERN Multimedia

    Wickens, F

    Our friend and colleague John Strong was cruelly taken from us by a brain tumour on Monday 31st July, a few days before his 65th birthday John started his career working with a group from Westfield College, under the leadership of Ted Bellamy. He obtained his PhD and spent the early part of his career on experiments at Rutherford Appleton Laboratory (RAL), but after the early 1970s his research was focussed on experiments in CERN. Over the years he made a number of notable contributions to experiments in CERN: The Omega spectrometer adopted a system John had originally developed for experiments at RAL using vidicon cameras to record the sparks in the spark chambers; He contributed to the success of NA1 and NA7, where he became heavily involved in the electronic trigger systems; He was responsible for the second level trigger system for the ALEPH detector and spent five years leading a team that designed and built the system, which ran for twelve years with only minor interventions. Following ALEPH he tur...

  11. Stirring Strongly Coupled Plasma

    CERN Document Server

    Fadafan, Kazem Bitaghsir; Rajagopal, Krishna; Wiedemann, Urs Achim

    2009-01-01

    We determine the energy it takes to move a test quark along a circle of radius L with angular frequency w through the strongly coupled plasma of N=4 supersymmetric Yang-Mills (SYM) theory. We find that for most values of L and w the energy deposited by stirring the plasma in this way is governed either by the drag force acting on a test quark moving through the plasma in a straight line with speed v=Lw or by the energy radiated by a quark in circular motion in the absence of any plasma, whichever is larger. There is a continuous crossover from the drag-dominated regime to the radiation-dominated regime. In the crossover regime we find evidence for significant destructive interference between energy loss due to drag and that due to radiation as if in vacuum. The rotating quark thus serves as a model system in which the relative strength of, and interplay between, two different mechanisms of parton energy loss is accessible via a controlled classical gravity calculation. We close by speculating on the implicati...

  12. Potential controlled electrochemical conversion of AgCN and Cu(OH)2 nanofibers into metal nanoparticles, nanoprisms, nanofibers, and porous networks.

    Science.gov (United States)

    Bourret, Gilles R; Lennox, R Bruce

    2010-12-01

    Nanowires are expected to provide considerable advances in the use of smaller and more efficient sensing, electronic, and photovoltaic devices. Good electrical connections of the nanowires within devices can, however, be problematic. We present here a new method that takes advantage of the available large-scale and reproducible wet-chemical syntheses of non-zero-valent anisotropic nanomaterials. The electrochemical reduction of preformed solid AgCN and Cu(OH)2 nanofibers (NFs) on surfaces allows one to form metallic nanostructures that are integrated in electrical junctions with excellent electrical contacts. Some fundamental aspects of the electrochemical reduction of AgCN NF are presented, including their redox potential and propagation of the metal boundary formed during the electrochemical reduction process. The clear connection between native (unreduced) AgCN NF and reduced Ag0 nanostructures is shown. The reduction potential, the nature of the supporting substrate (conductive vs insulating), and the size of the original fibers strongly influence the morphology and dimensions of the Ag0 nanostructures thus produced. A number of different Ag0 nanostructures are electrosynthesized, including nanoprisms, nanoparticles (NPs), and NFs, made from the aggregation of nanoprisms and NPs, and continuous fibers, whose width is tunable between 90 and 500 nm. We report the formation of excellent electrical contact via the electrochemical reduction of metal/Mz+ NF/metal junctions. This technique is simple, fast, and applicable to other materials such as Cu(OH)2 NF. It allows for the formation of electrically connected metallic networks with new interesting geometries, which could be applied to a form of electrochemical welding.

  13. Featuring animacy

    Directory of Open Access Journals (Sweden)

    Elizabeth Ritter

    2015-01-01

    Full Text Available Algonquian languages are famous for their animacy-based grammatical properties—an animacy based noun classification system and direct/inverse system which gives rise to animacy hierarchy effects in the determination of verb agreement. In this paper I provide new evidence for the proposal that the distinctive properties of these languages is due to the use of participant-based features, rather than spatio-temporal ones, for both nominal and verbal functional categories (Ritter & Wiltschko 2009, 2014. Building on Wiltschko (2012, I develop a formal treatment of the Blackfoot aspectual system that assumes a category Inner Aspect (cf. MacDonald 2008, Travis 1991, 2010. Focusing on lexical aspect in Blackfoot, I demonstrate that the classification of both nouns (Seinsarten and verbs (Aktionsarten is based on animacy, rather than boundedness, resulting in a strikingly different aspectual system for both categories. 

  14. Microsolvation for the Dicyanamide Anion: [N(CN)2-](H2O)n (n=0-12)

    Energy Technology Data Exchange (ETDEWEB)

    Jagoda-Cwiklik, Barbra; Wang, Xue B.; Woo, Hin-Koon; Yang, Jie; Wang, Guanjun; Zhou, Mingfei; Jungwirth, Pavel; Wang, Lai S.

    2007-08-16

    Photoelectron spectroscopy is combined with ab initio calculations to study the microsolvation of the dicyanamide anion, N(CN)2 -. Photoelectron spectra of [N(CN)2-] (H2O)n (n = 0-12) have been measured at room temperature and also at low temperature for n= 0-4. Vibrationally resolved photoelectron spectra are obtained for N(CN)2-, allowing the electron affinity of the N(CN)2 radical to be determined accurately as 4.135 ±0.010 eV. The electron binding energies and the spectral width of the hydrated clusters are observed to increase with the number of water molecules. The first five waters are observed to provide significant stabilization to the solute, whereas the stabilization becomes weaker for n > 5. The spectral width, which carries information about the solvent reorganization upon electron detachment in [N(CN)2-](H2O)n, levels off for n > 6. Theoretical calculations reveal several close-lying isomers for n= 1 and 2 due to the fact that the N(CN)2- anion possesses three almost equivalent hydration sites. In all the hydrated clusters, the most stable structures consist of a water cluster solvating one end of the N(CN)2- anion.

  15. Conductive bridge random access memory characteristics of SiCN based transparent device due to indium diffusion

    Science.gov (United States)

    Kumar, Dayanand; Aluguri, Rakesh; Chand, Umesh; Tseng, Tseung-Yuen

    2018-03-01

    In this work, the transparent bipolar resistive switching characteristics of a SiCN-based ITO/SiCN/AZO structure due to In diffusion from ITO is studied. The SiCN based device is found to be 80% transparent in the visible wavelength region. This device, with AZO as both top and bottom electrodes, does not show any RRAM property due to deposition of the high quality O2-free SiCN film. Replacing the AZO top electrode with ITO in this device results in good resistive switching (RS) characteristics with a high on/off ratio and long retention. Replacing the SiCN film with ZrO2 also results in excellent RS characteristics due to the formation of an oxygen vacancies filament inside the ZrO2 film. A resistance ratio of on/off is found to be higher in the SiCN based device compared to that of the ZrO2 device. Diffusion of In from ITO into the SiCN film on application of high positive voltage during forming can be attributed to the occurrence of RS in the device, which is confirmed by the analyses of energy dispersive spectroscopy and secondary-ion mass spectrometry. This study shows a pathway for the fabrication of CBRAM based transparent devices for non-volatile memory application.

  16. The Beckman-Quarles theorem for continuous mappings from R^n to C^n

    OpenAIRE

    Tyszka, Apoloniusz

    2002-01-01

    Let \\phi((x_1,...,x_n),(y_1,...,y_n))=(x_1-y_1)^2+...+(x_n-y_n)^2. We say that f:R^n -> C^n preserves distance d>=0 if for each x,y \\in R^n \\phi(x,y)=d^2 implies \\phi(f(x),f(y))=d^2. We prove that if x,y \\in R^n (n>=3) and |x-y|=(\\sqrt{2+2/n})^k \\cdot (2/n)^l (k,l are non-negative integers) then there exists a finite set {x,y} \\subseteq S(x,y) \\subseteq R^n such that each unit-distance preserving mapping from S(x,y) to C^n preserves the distance between x and y. It implies that each continuou...

  17. Structure and property relationships of amorphous CN sub x a joint experimental and theoretical study

    CERN Document Server

    Santos, M C D

    2000-01-01

    Amorphous CN sub x and CN sub x :H have been prepared by the ion beam assisted deposition technique. Samples were characterized through X-ray and UV photoemission, IR absorption and Raman spectroscopies. These spectra have been interpreted with the aid of quantum chemical calculations based upon the Hartree-Fock theory on several molecular models. The understanding of the electronic and structural properties of the amorphous alloy as a function of nitrogen content could help in the task of synthesizing the metastable silicon-nitride like-phase beta-C sub 3 N sub 4 , a solid which has been predicted to be as hard as diamond. The physical picture emerging from the present study helps to clarify the difficulties in obtaining the crystalline phase of the material, suggesting new experimental directions for syntheses.

  18. Dissociation and recombination rate constants for CN on Cu and Ni group transition metal surfaces

    Science.gov (United States)

    Sellers, Harrell

    2000-07-01

    We report dissociation and recombination reaction rate constants for CN on the fcc(111) surfaces of Ni, Pd, Pt, Cu, Ag and Au from molecular dynamics simulations employing our normalized bond index-reactive potential functions (NBI-RPF). The Arrhenius pre-exponentials for recombination of CN on these surfaces are about three orders of magnitude greater than the dissociation pre-exponentials. On the series of metals considered herein, the reaction energetics favor dissociation on the more active metals and favor recombination on the least active metals. However, the differences in the pre-exponentials of nearly a factor of 10 3 express the tendency of the reaction entropy to favor the recombination on the surfaces investigated. We also discuss the implications of these results in terms of the thermodynamics of the surface reactions.

  19. First direct measurement of 12C(12C,n23Mg at stellar energies

    Directory of Open Access Journals (Sweden)

    Tang X.D.

    2016-01-01

    Full Text Available Neutrons produced by the carbon fusion reaction 12C(12C,n23Mg play an important role in stellar nucleosynthesis. Past studies have shown large discrepancies between experimental data and theory, leading to an uncertain cross section extrapolation at astrophysical energies. We present the first direct measurement which extends deep into the astrophysical energy range along with a new and improved extrapolation technique based on experimental data from the mirror reaction 12C(12C,p23Na. The new reaction rate has been determined with a well-defined uncertainty which exceeds the precision required by astrophysics models. Using our constrained rate, we find that 12C(12C,n23Mg is crucial to the production of Na and Al in Pop-III Pair Instability Supernovae.

  20. 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.

  1. Sheet-like of Mo –Sm assembly containing [Mo (CN)8 ] and Sm ions ...

    Indian Academy of Sciences (India)

    Administrator

    ions as building blocks. SHU-LIN MA1,*, SHI REN1, YUE MA2 and DAI-ZHENG LIAO2,*. 1. Department of Application Chemistry, College of Science, Tianjin University of Commerce, ... based on large extended of 4d or 5d magnetic orbi- tals, [MV(CN)8]3– (M = Mo and W) are a kind of good precursors in magnetic materials.

  2. Prophylactic Administration of CN-105 Confers Neuroprotection Against Acute Brain Injury

    Science.gov (United States)

    2017-10-01

    recovery, mice are allowed free access to food and water. In all studies, mice are randomized to treatment or vehicle, and both the surgeon...Furthermore, the CN-105 treated group performed better on the probe trial (Fig. 1C) confirming the treatment better preserved memory (p = 0.0079) than...trial (Fig. 1G) confirming the treatment better preserved memory (p = 0.0211) than treatment with vehicle. There was no significant difference in

  3. KCd2[N(CN)2]5(H2O)4: an enmeshed honeycomb grid.

    Science.gov (United States)

    Schlueter, John A; Geiser, Urs; Funk, Kylee A

    2008-02-01

    The title compound, poly[potassium [diaquapenta-micro(2)-dicyanamido-dicadmium(II)] dihydrate], {K[Cd(2)(C(2)N(3))(5)(H(2)O)(2)].2H(2)O}(n), contains two-dimensional anionic sheets of {[Cd(2){N(CN)(2)}(H(2)O)(2)](-)}(n) with a modified (6,3)-net (layer group cm2m, No. 35). Two sets of equivalent sheets interpenetrate orthogonally to form a tetragonal enmeshed grid.

  4. Identification of the c(10×6)-CN/Cu(001) surface structure

    KAUST Repository

    Shuttleworth, I.G.

    2014-12-01

    © 2014 Elsevier B.V. All rights reserved. A systematic survey of all possible c(10 x 6)-CN/Cu(0 0 1) structures has been performed using density functional theory (DFT). A group of four preferred structures is presented with one of the structures identified as optimal. An analysis of the bonding within the optimal structure has shown that a significant localisation of the surface Cu 4s bonds occurs in the saturated system.

  5. Histone fractionation by high-performance liquid chromatography on cyanoalkylsilane (CN) reverse-phase columns

    International Nuclear Information System (INIS)

    Gurley, L.R.; Prentice, D.A.; Valdez, J.G.; Spall, W.D.

    1983-01-01

    Previous work described conditions for the rapid fractionation of histones by high-performance liquid chromatography (HPLC) using a reverse-phase μBondapak C 18 column. That procedure resolved the major classes of histones with one exception: the more hydrophobic H2A variant, (MHP)H2A, was not resolved from the H4 histone class. This report extends that work describing experiments using a μBondapak CN column which better resolves the classes of histones from each other including the resolution of (MHP)H2A from the H4. In addition, the less hydrophobic H2A variant, (LHP)H2A, is partially resolved from the (MHP)H2A, and the less hydrophobic H3 variant, (LHP)H3, is resolved from the more hydrophobic H3 variant, (MHP)H3. Lower trifluoroacetic acid (TFA) concentrations (0.1%) in the eluting water/acetonitrile solvent were used with the CN column than were used with the C 18 column which increased the sensitivity of histone detection by ultraviolet absorption at 206 nm. Greater than 95% of the total [ 3 H]lysine-labeled protein applied to the CN column was eluted from the column. Contaminating nonhistone proteins were found to chromatograph in the region of histone elution. These were greatly reduced by isolating nuclei prior to histone preparation. The fractionation of the histones appears to be based on the hydrophobic properties of the proteins. The histone fractions (identified by their electrophoretic mobilities) were eluted from the CN column in the following order: H1, H2B, (LHP)H2A, (MHP)H2A, H4, (LHP)H3, and (MHP)H3. Phosphorylated and acetylated histone species were not resolved from their unmodified parental species

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

    Science.gov (United States)

    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.

  7. The Cn method applied to problems with an anisotropic diffusion law

    International Nuclear Information System (INIS)

    Grandjean, P.M.

    A 2-dimensional Cn calculation has been applied to homogeneous media subjected to the Rayleigh impact law. Results obtained with collision probabilities and Chandrasekhar calculations are compared to those from Cn method. Introducing in the expression of the transport equation, an expansion truncated on a polynomial basis for the outgoing angular flux (or possibly entrance flux) gives two Cn systems of algebraic linear equations for the expansion coefficients. The matrix elements of these equations are the moments of the Green function in infinite medium. The search for the Green function is effected through the Fourier transformation of the integrodifferential equation and its moments are derived from their Fourier transforms through a numerical integration in the complex plane. The method has been used for calculating the albedo in semi-infinite media, the extrapolation length of the Milne problem, and the albedo and transmission factor of a slab (a concise study of convergence is presented). A system of integro-differential equations bearing on the moments of the angular flux inside the medium has been derived, for the collision probability method. It is numerically solved with approximately the bulk flux by step functions. The albedo in semi-infinite medium has also been computed through the semi-analytical Chandrasekhar method. In the latter, the outgoing flux is expressed as a function of the entrance flux by means of a integral whose kernel is numerically derived [fr

  8. 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.

  9. Extraction of benzene and cyclohexane using [BMIM][N(CN)2] and their equilibrium modeling

    Science.gov (United States)

    Ismail, Marhaina; Bustam, M. Azmi; Man, Zakaria

    2017-12-01

    The separation of aromatic compound from aliphatic mixture is one of the essential industrial processes for an economically green process. In order to determine the separation efficiency of ionic liquid (IL) as a solvent in the separation, the ternary diagram of liquid-liquid extraction (LLE) 1-butyl-3-methylimidazolium dicyanamide [BMIM][N(CN)2] with benzene and cyclohexane was studied at T=298.15 K and atmospheric pressure. The solute distribution coefficient and solvent selectivity derived from the equilibrium data were used to evaluate if the selected ionic liquid can be considered as potential solvent for the separation of benzene from cyclohexane. The experimental tie line data was correlated using non-random two liquid model (NRTL) and Margules model. It was found that the solute distribution coefficient is (0.4430-0.0776) and selectivity of [BMIM][N(CN)2] for benzene is (53.6-13.9). The ternary diagram showed that the selected IL can perform the separation of benzene and cyclohexane as it has extractive capacity and selectivity. Therefore, [BMIM][N(CN)2] can be considered as a potential extracting solvent for the LLE of benzene and cyclohexane.

  10. 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.

  11. PureCN: copy number calling and SNV classification using targeted short read sequencing.

    Science.gov (United States)

    Riester, Markus; Singh, Angad P; Brannon, A Rose; Yu, Kun; Campbell, Catarina D; Chiang, Derek Y; Morrissey, Michael P

    2016-01-01

    Matched sequencing of both tumor and normal tissue is routinely used to classify variants of uncertain significance (VUS) into somatic vs. germline. However, assays used in molecular diagnostics focus on known somatic alterations in cancer genes and often only sequence tumors. Therefore, an algorithm that reliably classifies variants would be helpful for retrospective exploratory analyses. Contamination of tumor samples with normal cells results in differences in expected allelic fractions of germline and somatic variants, which can be exploited to accurately infer genotypes after adjusting for local copy number. However, existing algorithms for determining tumor purity, ploidy and copy number are not designed for unmatched short read sequencing data. We describe a methodology and corresponding open source software for estimating tumor purity, copy number, loss of heterozygosity (LOH), and contamination, and for classification of single nucleotide variants (SNVs) by somatic status and clonality. This R package, PureCN, is optimized for targeted short read sequencing data, integrates well with standard somatic variant detection pipelines, and has support for matched and unmatched tumor samples. Accuracy is demonstrated on simulated data and on real whole exome sequencing data. Our algorithm provides accurate estimates of tumor purity and ploidy, even if matched normal samples are not available. This in turn allows accurate classification of SNVs. The software is provided as open source (Artistic License 2.0) R/Bioconductor package PureCN (http://bioconductor.org/packages/PureCN/).

  12. Characterization of NCAM expression and function in BT4C and BT4Cn glioma cells

    DEFF Research Database (Denmark)

    Andersson, A M; Moran, N; Gaardsvoll, H

    1991-01-01

    The neural cell adhesion molecule, NCAM, plays an important role in cell-cell adhesion. Therefore, we have studied NCAM expression in the glioma cell lines BT4C and BT4Cn. We demonstrate that the 2 cell lines differ in their metastatic ability; while BT4C cells have a very low capacity...... for producing experimental metastases, that of BT4Cn cells is high. In BT4C cells NCAM is synthesized as 4 polypeptides with Mr's of 190,000, 140,000, 115,000 and 97,000. The 140,000, 115,000 and 97,000 polypeptides are glycosylated and for the 140,000 and 115,000 polypeptides sulfatation is observed....... Conversely, no NCAM protein synthesis is observed in BT4Cn cells, even though NCAM mRNA is expressed. Thus, development of an increased metastatic capacity is accompanied by the disappearance of NCAM protein expression in this model system. The functional importance of NCAM expression was studied by a cell...

  13. Product energy deposition of CN + alkane H abstraction reactions in gas and solution phases

    Science.gov (United States)

    Glowacki, David R.; Orr-Ewing, Andrew J.; Harvey, Jeremy N.

    2011-06-01

    In this work, we report the first theoretical studies of post-transition state dynamics for reaction of CN with polyatomic organic species. Using electronic structure theory, a newly developed analytic reactive PES, a recently implemented rare-event acceleration algorithm, and a normal mode projection scheme, we carried out and analyzed quasi-classical and classical non-equilibrium molecular dynamics simulations of the reactions CN + propane (R1) and CN + cyclohexane (R2). For (R2), we carried out simulations in both the gas phase and in a CH2Cl2 solvent. Analysis of the results suggests that the solvent perturbations to the (R2) reactive free energy surface are small, leading to product energy partitioning in the solvent that is similar to the gas phase. The distribution of molecular geometries at the respective gas and solution phase variational association transition states is very similar, leading to nascent HCN which is vibrationally excited in both its CH stretching and HCN bending coordinates. This study highlights the fact that significant non-equilibrium energy distributions may follow in the wake of solution phase bimolecular reactions, and may persist for hundreds of picoseconds despite frictional damping. Consideration of non-thermal distributions is often neglected in descriptions of condensed-phase reactivity; the extent to which the present intriguing observations are widespread remains an interesting question.

  14. Mössbauer spectroscopic study on spin crossover coordination polymer Fe(3-Clpy){sub 2}[Pd(CN){sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Kitazawa, Takafumi, E-mail: kitazawa@chem.sci.toho-u.ac.jp; Sekiya, Madoka; Kawasaki, Takeshi; Takahashi, Masashi [Toho University, Department of Chemistry, Faculty of Science (Japan)

    2016-12-15

    {sup 57}Fe Mössbauer spectroscopic results on the alternatively prepared spin crossover coordination polymer Fe(3-Clpy){sub 2}Pd(CN){sub 4} sample I agree with those of SQUID data. Mössbauer specrum at RT shows two diffrent doublets which correspond to the HS1(inner doublet) and HS2(outer doublet). The intensity of the HS1 doublet decreases on cooling to 78 K at the expense of a new one featuring the LS singlet. Almost 100 % of HS1 change to LS singlet due to iron(II) ions coordinated by four N atoms of cyano groups and two N atoms of 3-Clpy ligand in the sample I. The SQUID data of the sample I prepared by a new direct contact method are different from those of the already reported Fe(3-Clpy){sub 2}Pd(CN){sub 4} sample. The differences of the SQUID data are associated with particle size effects in molecule spin crossover samples.

  15. Comparison of different models for ground-level atmospheric turbulence strength (C(n)(2)) prediction with a new model according to local weather data for FSO applications.

    Science.gov (United States)

    Arockia Bazil Raj, A; Arputha Vijaya Selvi, J; Durairaj, S

    2015-02-01

    Atmospheric parameters strongly affect the performance of free-space optical communication (FSOC) systems when the optical wave is propagating through the inhomogeneous turbulence transmission medium. Developing a model to get an accurate prediction of the atmospheric turbulence strength (C(n)(2)) according to meteorological parameters (weather data) becomes significant to understand the behavior of the FSOC channel during different seasons. The construction of a dedicated free-space optical link for the range of 0.5 km at an altitude of 15.25 m built at Thanjavur (Tamil Nadu) is described in this paper. The power level and beam centroid information of the received signal are measured continuously with weather data at the same time using an optoelectronic assembly and the developed weather station, respectively, and are recorded in a data-logging computer. Existing models that exhibit relatively fewer prediction errors are briefed and are selected for comparative analysis. Measured weather data (as input factors) and C(n)(2) (as a response factor) of size [177,147×4] are used for linear regression analysis and to design mathematical models more suitable in the test field. Along with the model formulation methodologies, we have presented the contributions of the input factors' individual and combined effects on the response surface and the coefficient of determination (R(2)) estimated using analysis of variance tools. An R(2) value of 98.93% is obtained using the new model, model equation V, from a confirmatory test conducted with a testing data set of size [2000×4]. In addition, the prediction accuracies of the selected and the new models are investigated during different seasons in a one-year period using the statistics of day, week-averaged, month-averaged, and seasonal-averaged diurnal Cn2 profiles, and are verified in terms of the sum of absolute error (SAE). A Cn2 prediction maximum average SAE of 2.3×10(-13)  m(-2/3) is achieved using the new model in

  16. Uniaxial strain effects on transport properties of a supramolecular organic conductor theta-(DIETS) sub 2 [Au(CN) sub 4

    CERN Document Server

    Tajima, N; Kato, R; Nishio, Y; Kajita, K

    2003-01-01

    Pressure-controlled switching between an insulating state and a superconducting state has been successfully realized on a supramolecular organic conductor theta-(DIETS) sub 2 [Au(CN) sub 4] [DIETS = diiodo(ethylenedithio)diselenadithiafulvalene]. Strong contact between iodine on the donor (DIETS) molecule and nitrogen on the anion [Au(CN) sub 4] genetates characteristic uniaxial strain effects on transport properties. Under the ambient pressure, the present system undergoes a semiconductor-insulator transition at 226 K. The effect of strains parallel to the conduction plane (ab-plane) is very small. Even under uniaxial strains up to 20 kbar along the a- and b-axis directions, the transition is not suppressed. Surprisingly, however, the c-axis strain induces a superconducting state with T sub c of 8.6 K at 10 kbar. Band parameter calculation and the conductivity anisotropy ratio suggest that an increase in the bandwidth W associated with a c-axis strain transforms the system to the metallic and superconducting...

  17. [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.

  18. Genetic variation in pea (Pisum sativum L.) demonstrates the importance of root but not shoot C/N ratios in the control of plant morphology and reveals a unique relationship between shoot length and nodulation intensity.

    Science.gov (United States)

    Ludidi, Ndiko N; Pellny, Till K; Kiddle, Guy; Dutilleul, Christelle; Groten, Karin; VAN Heerden, Philippus D R; Dutt, Som; Powers, Stephen J; Römer, Peter; Foyer, Christine H

    2007-10-01

    Nodule numbers are regulated through systemic auto-regulatory signals produced by shoots and roots. The relative effects of shoot and root genotype on nodule numbers together with relationships to organ biomass, carbon (C) and nitrogen (N) status, and related parameters were measured in pea (Pisum sativum) exploiting natural genetic variation in maturity and apparent nodulation intensity. Reciprocal grafting experiments between the early (Athos), intermediate (Phönix) and late (S00182) maturity phenotypes were performed and Pearson's correlation coefficients for the parameters were calculated. No significant correlations were found between shoot C/N ratios and plant morphology parameters, but the root C/N ratio showed a strong correlation with root fresh and dry weights as well as with shoot fresh weight with less significant interactions with leaf number. Hence, the root C/N ratio rather than shoot C/N had a predominant influence on plant morphology when pea plants are grown under conditions of symbiotic nitrogen supply. The only phenotypic characteristic that showed a statistically significant correlation with nodulation intensity was shoot length, which accounted for 68.5% of the variation. A strong linear relationship was demonstrated between shoot length and nodule numbers. Hence, pea nodule numbers are controlled by factors related to shoot extension, but not by shoot or root biomass accumulation, total C or total N. The relationship between shoot length and nodule numbers persisted under field conditions. These results suggest that stem height could be used as a breeding marker for the selection of pea cultivars with high nodule numbers and high seed N contents.

  19. 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.

  20. Carbon content and C:N ratio of transparent exopolymeric particles (TEP) produced by bubbling exudates of diatoms

    DEFF Research Database (Denmark)

    Mari, Xavier

    1999-01-01

    The carbon content of transparent exopolymeric particles (TEP) was measured in the laboratory in particles produced by bubbling exudates of the diatom Thalassiosira weissflogii, grown under nitrogen non-limited conditions (N:P = 7). The carbon content of these particles (TEP-C) appears to vary...... for dissolved organic carbon in coastal seas. The carbon to nitrogen ratio of TEP was measured from particles formed by bubbling exudates of the diatoms T. weissflogii, Skeletonema costatum, Chaetoceros neogracile and C. affinis. Each of these diatom species was grown under various N:P ratios, from N......-non-limited to N-limited conditions. While the C:N ratio of the diatom cells grown under N-limited conditions was high (C:N >= 14), the TEP aggregates formed by coagulation of the extracellular release produced by these cells exhibited a C:N ratio relatively constant (C:N = 7.3 ± 2.6) and apparently independent...

  1. Effect of C/N on Water State during Composting of Kitchen Waste and Vegetable Waste Mixture

    Directory of Open Access Journals (Sweden)

    Yuyang Long

    2017-01-01

    Full Text Available The objective of this study was to evaluate the effects of the C/N ratio on the water state changes during the composting of kitchen waste (KW and vegetable waste (VW mixtures. The C/N ratios in KW and VW were 50.70 and 27.07, respectively, and the VW was added to the KW to amend the C/N ratio. Five composting treatments were used, R1 with 0% KW, R2 with 25% KW, R3 with 50% KW, R4 with 75% KW, and R5 with 100% KW, and the initial C/N ratios increased in the order R1 < R2 < R3 < R4 < R5. As the composting process progressed, the capillary water (CW and multi-molecular-layer water (MMLW were changed into entrapped water (EW, and a high C/N ratio could delay the changes in the water state. The percentage of EW and CW significantly positively correlated with the C/N ratio during the composting of KW. The composting process performed better in treatments R2 and R3 than in the other treatments, and it was found that treatments R2 and R3 each had a lag phase of around 4 d until the water states started to change.

  2. 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.

  3. Structural disorder and its effect on the superconducting transition temperature in the organic superconductor κ-(BEDT-TTF)2Cu[N(CN)2]Br

    International Nuclear Information System (INIS)

    Su, X.; Zuo, F.; Schlueter, J.A.; Kelly, M.E.; Williams, J.M.

    1998-01-01

    In this paper, we report direct evidence of a structural transition in the organic superconductor κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Br near 80 K and the effect of disorder on the superconducting transition temperature. By cooling the sample from above 80 K, the interlayer magnetoresistance displays a bumplike feature, which increases sharply with increasing cooling rate. The rapidly cooled sample has a much larger resistivity and a lower transition temperature, which decreases linearly with increasing resistivity near the transition temperature. We propose that rapid cooling quenches the sample into a disordered state. Localized moments in the disordered state reduce the superconducting transition temperature. copyright 1998 The American Physical Society

  4. Characteristics of the most intense lightning storm ever recorded at the CN Tower

    Science.gov (United States)

    Hussein, A. M.; Kazazi, S.; Anwar, M.; Yusouf, M.; Liatos, P.

    2017-02-01

    Lightning strikes to the CN Tower have been optically observed since 1978. In 1990, five independent systems started to operate to simultaneously record parameters of lightning strikes to the tower, including the time derivative of the current, the associated electric and magnetic fields, and the channel optical characteristics. On August 24, 2011, during an unusually severe lightning storm, video records showed that the CN Tower was struck with 52 lightning flashes within 84 min and 6.9 s. Thus, this storm produced, on average, a flash to the tower every 99 s. However, the CN Tower lightning current derivative measurement system only recorded 32 flashes, which were perfectly time-matched with 32 of the 52 video-recorded flashes. It is found that the current derivative measurement system recorded every video-recorded flash that contained at least one return stroke. Based on the analysis of video records, it is noted that each of the storm's 52 flashes contains an initial-stage current, proving that all flashes were upward initiated. This unique CN Tower storm - the most intense ever recorded at the tower - is here thoroughly analyzed, based on video and current records. The inter-flash time within the storm is found to vary between 10.6 s and 274 s, with an overall average of 98 s. It is also found that the inter-flash time between successive non-return-stroke flashes is on average 64% longer than that for successive flashes containing return strokes. Statistical analysis of video and current data clearly reveals that the time duration of flashes containing initial-stage currents and return strokes is on average 27% longer than that of flashes that only have initial-stage currents. Furthermore, it is important to note that the time duration of the initial-stage current in flashes containing no return strokes is on average 76% longer than that in flashes containing return strokes. Therefore, it is possible to conclude that if the time duration of the initial

  5. PERANAN BAHAN ORGANIK BERNISBAH C/N RENDAH DAN CACING TANAH UNTUK MENDEKOMPOSISI LIMBAH KUI.IT KAYU Gmelina arborea (The Roles of Low C/N Ratio Organic Matters and Earthworms to Decompose Waste Barks of Gmelina arborea

    Directory of Open Access Journals (Sweden)

    Suryo Hardiwinoto

    2005-11-01

    Full Text Available ABSTRAK Limbah kulit kayu berpotensi dapat menyebabkan dampak negatip terhadap lingkungan apabila tidak ditangani dengan baik. Sebagai bahan organik, limbah kulit kayu sebetulnya dapat dijadikan sbagai bahan baku kompos. Tujuan dari penelitian ini adalah untuk mengetahui peranan penambahan bahan organik ber-nisbah C/N rendah dan cacing tanah dalam menurunkan nisbah C/N dan meningkatkan kandungan unsur hara makro dari kompos limbah kulit kayu. Penelitian dilakukan dengan menggunakan rancangan acak lengkap yang disusun secara faktorial, terdiri dari 2 faktor dengan 5 ulangan. Faktor pertama adalah penambahan bahan organic ber-nisbah C/N rendah (daun Glyricideu maculuta and daun Gmelina arborea, dan taktor kedua adalah jenis cacing tanah, yaitu Lumbricus rubellus (Cl dan Eisenia foetida (C2. Parameter yang digunakan adalah kandungan karbon (C, dan beberapa unsur hara makro, yaitu: nitrogen (N, fosfor (P, kalium (K, kalsium (Ca and magnesium (Mg dari kompos limbah kulit kayu. Penambahan bahan organik ber-nisbah C/N rendah dan cacing tanah merupakan cara penanganan limbah kulit kayu yang ramah lingkungan. Penambahan bahan organik ber-nisbah C/N rendah secara nyata dapat menurunkan nisbah C/N dan meningkatkan kandungan unsur hara makro N, P, K, Ca dan Mg dari kompos limbah kulit kayu. Nisbah C/N kompos limbah kulit kayu dapat turun semakin rendah dan kandungan unsur hara makro N, P, K, Ca and Mg dapat naik semakin tinggi dengan adanya penambahan bahan organik ber-nisbah C/N yang semakin banyak. Cacing tanah menunjukkan peran yang sangat nyata dalam menurunkan nisbah CIN dan menaikkan kandungan unsur hara makro N, P, K, Ca dan Mg dari kompos limbah kulit kayu. Rerata nisbah C/N dari kompos limbah kulit kayu (C0 sebesar 56,17, dan dengan adanya perlakuan cacing tanah rerata nisbah C/N dapat turun secara sangat nyara menjadi 26,66 (Cl dan 22,94 (C2. Rerata kandungan N dari kompos limbah kulit kayu (C0 hanya sebesar 0,89 %, dan dengan adanya aktivitas

  6. Effect of Localized Spin Concentration on Giant Magnetoresistance in Molecular Conductor TPP[FexCo1-x(Pc)(CN)2]2

    Science.gov (United States)

    Ikeda, Mitsuo; Kanda, Akinori; Murakawa, Hiroshi; Matsuda, Masaki; Inabe, Tamotsu; Tajima, Hiroyuki; Hanasaki, Noriaki

    2016-02-01

    We studied the effect of the localized spin concentration on the giant magnetoresistance (GMR) and the charge order (CO) in the phthalocyanine (Pc) molecular conductors TPP[FexCo1-x(Pc)(CN)2]2 (TPP = tetraphenylphosphonium), in which the localized spin concentration can be controlled by adjusting the Fe concentration x. Resistivity studies indicated that the CO state was stabilized by localized spins. The negative magnetoresistance was observed even in the region of a localized spin concentration of as low as about 5%. In the high-concentration region, the negative magnetoresistance changed into a positive one at low temperatures. This result shows that a magnetic field stabilizes the CO state, unless the magnetic field is sufficiently strong to break the antiferromagnetic order of the localized spins.

  7. Characterization of TiCN thin films deposited by Dc-Pulsed PACVD using methane precursor

    OpenAIRE

    Shafiei, Seyed Mohammad Mahdi; Divandari, Mehdi; Boutorabi, Seyed Mohammad Ali; Naghizadeh, Rahim

    2014-01-01

    Titanium carbonitride (TiCN) thin films were deposited on hot-work steel (DIN 1.2606) by plasma-assisted chemical vapor deposition (PACVD) and the influence of different CH4/ (CH4+N2) gas flow ratio, on the layer mechanical properties, were investigated. SEM studies indicated that the growth rate is decreased by increasing the CH4/ (CH4+N2) gas flow ratio. It was found that the Ti(C, N) layers have different stoichiometry, TiC30N70 and TiC70N30 for 0.5 and 0.66 gas flow ratio. Grazing inciden...

  8. Wind-induced response of CN-Tower: comparison of model and full scale

    International Nuclear Information System (INIS)

    Monbaliu, J.; Ruigrok, C.; Isyumov, N.

    1985-01-01

    The approximately 555-m high CN Communications Tower in Toronto has now been operational for nearly a decade. The action of wind on this tower was extensively tested at the Boundary Layer Wind Tunnel Laboratory during the design of the tower. This study provided information on the overall wind loads and responses of the structure, the action of wind on various components, and its effects on the tower performance including transmission quality. A program of monitoring and recording the wind induced response and various meteorological data was started in 1977. This paper presents some results of that program and makes comparisons with wind tunnel model data. (author)

  9. The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

    Science.gov (United States)

    Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

    2012-01-01

    The A 1B1 interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study we are employing the use of proven quartic force elds and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X 1A0 CH2CN?? in order to assist in laboratory studies and astronomical observations. Keywords: Astrochemistry, ISM: molecular anions, Quartic force elds, Rotational constants, Vibrational frequencies

  10. Synthesis and structural characterization of a flexible metal organic framework {[Ni(dpbz)][Ni(CN4]}n, dpbz = 1,4-bis(4-pyridyl)benzene) with an unusual Ni-N bond

    Energy Technology Data Exchange (ETDEWEB)

    Wong-Ng, Winnie; Culp, Jeffrey T.; Chen, Yu-S.; Deschamps, Jeffrey R.; Marti, Anna [NRL; (UC); (NETL); (NIST)

    2016-02-10

    The chartreuse monoclinic Ni-dpbz (Ni(L)[Ni(CN)4], (L = 1,4-Bis(4-pyridyl)benzene, or dpbz) crystal assumes a pillared structure with layers defined by 2-D Ni[Ni(CN)4]n nets and dpbz ligands as pillars, linking between coordinated Ni sites. In addition to the hysteretic adsorption/desorption feature of Ni-dpbz, in half of the parallelepiped-shape space enclosed by the pillars and nets, an additional dpbz ligand was found to link between the open ends of two four-fold Ni sites. This arrangement results in an unusual 5-fold pseudo square-pyramid environment for Ni and a significantly long Ni–N distance of 2.369(4) Å. The presence of disordered dimethyl sulfoxide (DMSO) solvent molecules give rise to the formula of Ni(dpbz)[Ni(CN)4]·½dpbz·0.44DMSO. Sorption isotherms showed flexible behavior during the adsorption and desorption of CO2.

  11. Rationality in prophylactic central neck dissection in clinically node-negative (cN0) papillary thyroid carcinoma: Is there anything more to say? A decade experience in a single-center.

    Science.gov (United States)

    Dobrinja, C; Troian, M; Cipolat Mis, T; Rebez, G; Bernardi, S; Fabris, B; Piscopello, L; Makovac, P; Di Gregorio, F; de Manzini, N

    2017-05-01

    Papillary thyroid carcinoma (PTC) is the most common thyroid malignancy. Despite its extremely favorable prognosis, cervical lymph node metastases are a common feature of PTC and a known independent risk factor for local recurrence. However, the role of prophylactic central neck dissection (PCND) remains a matter of debate in patients with clinically node-negative (cN0) PTC. To better clarify the current role of PCND in the surgical treatment of PTC, evaluating advantages and disadvantages of PCND and outcome of cN0 PTC patients who have been treated with either total thyroidectomy alone or in combination with PCND. A review of recent literature data is performed. Between January 2000 and December 2015, 186 consecutive patients with cN0 PTC were identified to be included in the present study. 74 of these underwent total thyroidectomy associated with PCND, while 112 patients underwent total thyroidectomy alone. The epidemiological and clinical-pathological data of all patients included were collected at diagnosis and during follow-up. Overall complication rate was significantly higher in the group of patients undergoing PCND (39.2% vs. 17.8%, p = 0.0006). To be specific, they presented a considerably increased risk of temporary recurrent laryngeal nerve injury (p = 0.009) and of permanent hypothyroidism (p = 0.016). Overall survival and recurrence rates did not differ between those undergoing PCND and those undergoing total thyroidectomy alone (p = 1.000 and p = 0.715, respectively). The results of the present study do not support the routine use of PCND in the treatment of cN0 PTC patients. Copyright © 2017 IJS Publishing Group Ltd. Published by Elsevier Ltd. All rights reserved.

  12. Strong WW Interaction at LHC

    Energy Technology Data Exchange (ETDEWEB)

    Pelaez, Jose R

    1998-12-14

    We present a brief pedagogical introduction to the Effective Electroweak Chiral Lagrangians, which provide a model independent description of the WW interactions in the strong regime. When it is complemented with some unitarization or a dispersive approach, this formalism allows the study of the general strong scenario expected at the LHC, including resonances.

  13. Strong-back safety latch

    International Nuclear Information System (INIS)

    DeSantis, G.N.

    1995-01-01

    The calculation decides the integrity of the safety latch that will hold the strong-back to the pump during lifting. The safety latch will be welded to the strong-back and will latch to a 1.5-in. dia cantilever rod welded to the pump baseplate. The static and dynamic analysis shows that the safety latch will hold the strong-back to the pump if the friction clamps fail and the pump become free from the strong-back. Thus, the safety latch will meet the requirements of the Lifting and Rigging Manual for under the hook lifting for static loading; it can withstand shock loads from the strong-back falling 0.25 inch

  14. Strong-back safety latch

    Energy Technology Data Exchange (ETDEWEB)

    DeSantis, G.N.

    1995-03-06

    The calculation decides the integrity of the safety latch that will hold the strong-back to the pump during lifting. The safety latch will be welded to the strong-back and will latch to a 1.5-in. dia cantilever rod welded to the pump baseplate. The static and dynamic analysis shows that the safety latch will hold the strong-back to the pump if the friction clamps fail and the pump become free from the strong-back. Thus, the safety latch will meet the requirements of the Lifting and Rigging Manual for under the hook lifting for static loading; it can withstand shock loads from the strong-back falling 0.25 inch.

  15. Evaluation of soil loss estimation using the RUSLE model and SCS-CN method in hillslope mining areas

    Directory of Open Access Journals (Sweden)

    Narayan Kayet

    2018-03-01

    Full Text Available Mining operations result in the generation of barren land and spoil heaps which are subject to high erosion rate during the rainy season. The present study uses the Revised Universal Soil Loss Equation (RUSLE and SCS-CN (Soil Conservation Service - Curve Number process to estimate in Kiruburu and Meghahatuburu mining sites areas. The geospatial model of annual average soil loss rate was determined by integrating environmental variables parameters in a raster pixels-based GIS framework. GIS layers with, rainfall passivity and runoff erosivity (R, soil erodibility (K, slope length and steepness (LS, cover management(C and conservation practice (P factors were calculated to determine their effects on annual soil erosion in the study area. The coefficient of determination (r2 was 0.834, which indicates a strong correlation of soil loss with runoff and rainfall. Sub -watersheds 5,9,10 and 2 experienced high level of highly runoff. Average annual soil loss was calculated (30*30 m raster grid cell to determine the critical soil loss areas (Sub-watershed 9 and 5. Total soil erosion area was classified into five class, slight (10,025 ha, moderate (3125 ha, high (973 ha, very high (260 ha and severe (53 ha. The resulting map shows greatest soil erosion of >40 t h-1 y-1 (severe through connection to grassland, degraded and open forestry on the erect mining side-escutcheon. The Landsat pan sharpening image and DGPS survey field data were used in the verification of soil erosion results.

  16. Changes in the C/N balance caused by increasing external ammonium concentrations are driven by carbon and energy availabilities during ammonium nutrition in pea plants: the key roles of asparagine synthetase and anaplerotic enzymes.

    Science.gov (United States)

    Ariz, Idoia; Asensio, Aaron C; Zamarreño, Angel M; García-Mina, Jose M; Aparicio-Tejo, Pedro M; Moran, Jose F

    2013-08-01

    An understanding of the mechanisms underlying ammonium (NH(4)(+)) toxicity in plants requires prior knowledge of the metabolic uses for nitrogen (N) and carbon (C). We have recently shown that pea plants grown at high NH(4)(+) concentrations suffer an energy deficiency associated with a disruption of ionic homeostasis. Furthermore, these plants are unable to adequately regulate internal NH4(+) levels and the cell-charge balance associated with cation uptake. Herein we show a role for an extra-C application in the regulation of C-N metabolism in NH(4)(+) -fed plants. Thus, pea plants (Pisum sativum) were grown at a range of NH(4)(+) concentrations as sole N source, and two light intensities were applied to vary the C supply to the plants. Control plants grown at high NH(4)(+) concentration triggered a toxicity response with the characteristic pattern of C-starvation conditions. This toxicity response resulted in the redistribution of N from amino acids, mostly asparagine, and lower C/N ratios. The C/N imbalance at high NH(4)(+) concentration under control conditions induced a strong activation of root C metabolism and the upregulation of anaplerotic enzymes to provide C intermediates for the tricarboxylic acid cycle. A high light intensity partially reverted these C-starvation symptoms by providing higher C availability to the plants. The extra-C contributed to a lower C4/C5 amino acid ratio while maintaining the relative contents of some minor amino acids involved in key pathways regulating the C/N status of the plants unchanged. C availability can therefore be considered to be a determinant factor in the tolerance/sensitivity mechanisms to NH(4)(+) nutrition in plants. Copyright © Physiologia Plantarum 2012.

  17. Analysis of the covariance function and aperture averaged fluctuations of irradiance to calculate Cn2

    Science.gov (United States)

    Cauble, Galen D.; Wayne, David T.

    2017-09-01

    The growth of optical communication has created a need to correctly characterize the atmospheric channel. Atmospheric turbulence along a given channel can drastically affect optical communication signal quality. One means of characterizing atmospheric turbulence is through measurement of the refractive index structure parameter, Cn2. When calculating Cn2 from the scintillation index, σΙ2,the point aperture scintillation index is required. Direct measurement of the point aperture scintillation index is difficult at long ranges due to the light collecting abilities of small apertures. When aperture size is increased past the atmospheric correlation width, aperture averaging decreases the scintillation index below that of the point aperture scintillation index. While the aperture averaging factor can be calculated from theory, it does not often agree with experimental results. Direct measurement of the aperture averaging factor via the pupil plane irradiance covariance function allows conversion from the aperture averaged scintillation index to the point aperture scintillation index. Using a finite aperture, camera, and detector, the aperture averaged scintillation index and aperture averaging factor are measured in parallel and the point aperture scintillation index is calculated. A new instrument built by SSC Pacific was used to collect scintillation data at the Townes Institute Science and Technology Experimentation Facility (TISTEF). This new instrument's data was then compared to BLS900 data. The results show that direct measurement of the aperture averaging factor is achievable using a camera and matches well with groundtruth instrumentation.

  18. Statistical optimization of fermentative hydrogen production from xylose by newly isolated Enterobacter sp. CN1

    Energy Technology Data Exchange (ETDEWEB)

    Long, Chuannan; Cui, Jingjing; Liu, Zuotao; Liu, Yuntao; Hu, Zhong [Department of Biology, Shantou University, Shantou 515063 (China); Long, Minnan [The School of Energy Research, Xiamen University, Xiamen 361005 (China)

    2010-07-15

    Statistical experimental designs were applied for the optimization of medium constituents for hydrogen production from xylose by newly isolated Enterobacter sp. CN1. Using Plackett-Burman design, xylose, FeSO{sub 4} and peptone were identified as significant variables which highly influenced hydrogen production. The path of steepest ascent was undertaken to approach the optimal region of the three significant factors. These variables were subsequently optimized using Box-Behnken design of response surface methodology (RSM). The optimum conditions were found to be xylose 16.15 g/L, FeSO{sub 4} 250.17 mg/L, peptone 2.54 g/L. Hydrogen production at these optimum conditions was 1149.9 {+-} 65 ml H{sub 2}/L medium. Under different carbon sources condition, the cumulative hydrogen volume were 1217 ml H{sub 2}/L xylose medium, 1102 ml H{sub 2}/L glucose medium and 977 ml H{sub 2}/L sucrose medium; the maximum hydrogen yield were 2.0 {+-} 0.05 mol H{sub 2}/mol xylose, 0.64 mol H{sub 2}/mol glucose. Fermentative hydrogen production from xylose by Enterobacter sp. CN1 was superior to glucose and sucrose. (author)

  19. Preparation and Characterization of SiO2/SiCN Core-shell Ceramic Microspheres

    Directory of Open Access Journals (Sweden)

    ZHANG Hai-yuan

    2017-05-01

    Full Text Available The SiO2/PSN core-shell microspheres were prepared via an emulsion reaction combined with the polymer-derived ceramics (PDCs method using polysilazane (PSN in situ polymerization on the surface of SiO2 modified by silane coupling agents MPS, followed by pyrolysis process to obtain SiO2/SiCN core-shell ceramic microspheres. The effects of raw mass ratio, curing time and pyrolysis temperature on the formation and the morphology of core-shell microspheres were studied. The morphology, chemical composition and phase transformation were characterized by SEM, EDS, TEM, FT-IR and XRD. The results show that after reaction for 4h at 200℃, SiO2 completely coated PSN forms a core-shell microsphere with rough surface when the mass ratio of SiO2 and PSN is 1:4; when pyrolysis temperature is at 800-1200℃, amorphous SiO2/SiCN core-shell ceramic microspheres are prepared; at 1400℃, the amorphous phase partially crystallizes to produce SiO2, SiC and Si3N4 phase.

  20. Alkyl hydrogen atom abstraction reactions of the CN radical with ethanol

    Science.gov (United States)

    Athokpam, Bijyalaxmi; Ramesh, Sai G.

    2018-04-01

    We present a study of the abstraction of alkyl hydrogen atoms from the β and α positions of ethanol by the CN radical in solution using the Empirical Valence Bond (EVB) method. We have built separate 2 × 2 EVB models for the Hβ and Hα reactions, where the atom transfer is parameterized using ab initio calculations. The intra- and intermolecular potentials of the reactant and product molecules were modelled with the General AMBER Force Field, with some modifications. We have carried out the dynamics in water and chloroform, which are solvents of contrasting polarity. We have computed the potential of mean force for both abstractions in each of the solvents. They are found to have a small and early barrier along the reaction coordinate with a large energy release. Analyzing the solvent structure around the reaction system, we have found two solvents to have little effect on either reaction. Simulating the dynamics from the transition state, we also study the fate of the energies in the HCN vibrational modes. The HCN molecule is born vibrationally hot in the CH stretch in both reactions and additionally in the HCN bends for the Hα abstraction reaction. In the early stage of the dynamics, we find that the CN stretch mode gains energy at the expense of the energy in CH stretch mode.

  1. Hydroxyacetonitrile (HOCH2CN) Formation in Astrophysical Conditions. Competition with the Aminomethanol, a Glycine precursor

    Science.gov (United States)

    Danger, G.; Duvernay, F.; Theulé, P.; Borget, F.; Chiavassa, T.

    2012-09-01

    This contribution is focused on the concurrent pathway to the Strecker synthesis of amino acids in an astrophysical-like environment. We indeed use experimental and modeling simulations to investigate the possibility to form the aminomethanol (HOCH2NH2) in concurrence with the hydroxyacetonitrile (HOCH2CN) from ices containing at 40 K formaldehyde (CH2O), ammonia (NH3), and cyanide ion (CN-). We demonstrate using infrared spectroscopy and mass spectrometry that the formation of the aminomethanol (Ea = 4.5 kJ mol-1) is competing with the hydroxyacetonitrile formation (Ea = 3.9 kJ mol-1). The ratio between aminomethanol and hydroxyacetonitrile depends on the initial ratio in the ice between ammonia and cyanide. An increase of cyanide ion provides a decrease in aminomethanol formation. Since the aminomethanol is the first step through the formation of glycine in astrophysical environments, these data are important for understanding the possibility of forming glycine in such environments. Furthermore, using a reduced kinetic model, we evaluate the astrophysical environments in which the aminomethanol and hydroxyacetonitrile can be formed and evolved without degradation. The results suggest that these two molecules could be formed in molecular clouds or protostellar disks, and subsequently incorporated inside comets or asteroids. Therefore, hydroxyacetonitrile and aminomethanol could be formed before the formation of the solar system, which suggests that hydroxyacids and amino acids, such as those detected inside meteorites, have been formed in various astrophysical environments.

  2. A CN-Based Ensembled Hydrological Model for Enhanced Watershed Runoff Prediction

    Directory of Open Access Journals (Sweden)

    Muhammad Ajmal

    2016-01-01

    Full Text Available A major structural inconsistency of the traditional curve number (CN model is its dependence on an unstable fixed initial abstraction, which normally results in sudden jumps in runoff estimation. Likewise, the lack of pre-storm soil moisture accounting (PSMA procedure is another inherent limitation of the model. To circumvent those problems, we used a variable initial abstraction after ensembling the traditional CN model and a French four-parameter (GR4J model to better quantify direct runoff from ungauged watersheds. To mimic the natural rainfall-runoff transformation at the watershed scale, our new parameterization designates intrinsic parameters and uses a simple structure. It exhibited more accurate and consistent results than earlier methods in evaluating data from 39 forest-dominated watersheds, both for small and large watersheds. In addition, based on different performance evaluation indicators, the runoff reproduction results show that the proposed model produced more consistent results for dry, normal, and wet watershed conditions than the other models used in this study.

  3. Static Recrystallization Behavior of Z12CN13 Martensite Stainless Steel

    Science.gov (United States)

    Luo, Min; Zhou, Bing; Li, Rong-bin; Xu, Chun; Guo, Yan-hui

    2017-09-01

    In order to increase the hot workability and provide proper hot forming parameters of forging Z12CN13 martensite stainless steel for the simulation and production, the static recrystallization behavior has been studied by double-pass hot compression tests. The effects of deformation temperature, strain rate and inter-pass time on the static recrystallization fraction by the 2% offset method are extensively studied. The results indicate that increasing the inter-pass time and the deformation temperature as well as strain rate appropriately can increase the fraction of static recrystallization. At the temperature of 1050-1150 °C, inter-pass time of 30-100 s and strain rate of 0.1-5 s-1, the static recrystallization behavior is obvious. In addition, the kinetics of static recrystallization behavior of Z12CN13 steel has been established and the activation energy of static recrystallization is 173.030 kJ/mol. The substructure and precipitates have been studied by TEM. The results reveal that the nucleation mode is bulging at grain boundary. Undissolved precipitates such as MoNi3 and Fe3C have a retarding effect on the recrystallization kinetics. The effect is weaker than the accelerating effect of deformation temperature.

  4. Magnetocaloric effect and critical behavior in Mn2-imidazole-[Nb(CN)8] molecular magnetic sponge

    Science.gov (United States)

    Fitta, Magdalena; Pełka, Robert; Gajewski, Marcin; Mihalik, Marian; Zentkova, Maria; Pinkowicz, Dawid; Sieklucka, Barbara; Bałanda, Maria

    2015-12-01

    A comprehensive study of magnetocaloric effect (MCE) and critical behavior in the {Mn2(imH)2(H2O)4[Nb(CN)8]·4H2O}n molecular magnet is reported. The compound is an example of a magnetic sponge, where structural changes provoked by dehydration process lead to the increase of Tc critical temperature from 25 K for the as-synthesized sample (1) up to 60 K for the anhydrous one (2). MCE and critical behavior were investigated by magnetization measurements. The maximum value of magnetic entropy change ΔS, determined by the magnetization measurements for 1 is 6.70 J mol-1 K-1 (8.95 J kg-1 K-1) at μ0ΔH=5 T, while for 2 it is equal to 4.02 J mol-1 K-1 (7.73 J kg-1 K-1) at the same magnetic field change. The field dependence of MCE at Tc for 1 and 2 was consistent with critical exponents, which allowed to classify both phases to 3D Heisenberg universality class. The Tc-2/3 dependence of the maximum entropy change has been tested using data of 1 and 2 together with MCE data previously reported for other members of the ferrimagnetic Mn2-L-[Nb(CN)8] (L=imidazole, pyridazine and pyrazole) series. Experimental MCE results have been compared with the spin contribution to the magnetic entropy change estimated using a molecular field approximation.

  5. Oxidation Study of an Ultra High Temperature Ceramic Coatings Based on HfSiCN

    Science.gov (United States)

    Sacksteder, Dagny; Waters, Deborah L.; Zhu, Dongming

    2018-01-01

    High temperature fiber-reinforced ceramic matrix composites (CMCs) are important for aerospace applications because of their low density, high strength, and significantly higher-temperature capabilities compared to conventional metallic systems. The use of the SiCf/SiC and Cf/SiC CMCs allows the design of lighter-weight, more fuel efficient aircraft engines and also more advanced spacecraft airframe thermal protection systems. However, CMCs have to be protected with advanced environmental barrier coatings when they are incorporated into components for the harsh environments such as in aircraft engine or spacecraft applications. In this study, high temperature oxidation kinetics of an advanced HfSiCN coating on Cf/SiC CMC substrates were investigated at 1300 C, 1400 C, and 1500 C by using thermogravimetric analysis (TGA). The coating oxidation reaction parabolic rate constant and activation energy were estimated from the experimental results. The oxidation reaction studies showed that the coatings formed the most stable, predominant HfSiO4-HfO2 scales at 1400 C. A peroxidation test at 1400 C then followed by subsequent oxidation tests at various temperatures also showed more adherent scales and slower scale growth because of reduced the initial transient oxidation stage and increased HfSiO4-HfO2 content in the scales formed on the HfSiCN coatings.

  6. Surface modification of an aluminum alloy by electron beam introducing TiCN nanoparticles

    Science.gov (United States)

    Kolev, M.; Dimitrova, R.; Parshorov, St.; Valkov, St.; Lazarova, R.; Petrov, P.

    2018-03-01

    TiCN nanopowder deposited in an appropriate way on the surface of an AlSi12Cu2NiMg substrate was incorporated in the matrix using an electron beam technology. The samples were studied by means of light microscopy, SEM, and EDX; their microhardness was also determined. The formation was found of a uniform and dense coating with a thickness of 7 – 10 μgm with a good adherence to the substrate. A modified zone appeared under the coating with a thickness of 100 – 150 μgm containing dendrites of an α-solid solution and a fine eutectic between them, as well as primary silicon crystals. The microhardness of this modified zone was up to 2.4 times higher than that of the matrix. The results of SEM and EDX studies revealed unambiguously the presence of titanium in the coating and in the zones below it. Obviously, the electron beam treatment resulted in the TiCN nanoparticles penetrating into the coating and the substrate immediately below the coating.

  7. Meso-Structuring of SiCN Ceramics by Polystyrene Templates

    Directory of Open Access Journals (Sweden)

    Julia-Katharina Ewert

    2015-03-01

    Full Text Available A simple one-pot synthesis of well-defined PS-silazane nano-composites (polystyrene, PS is described. In contrast to the, thus far, used two-step procedure ((1 assembly of a PS template bed and (2 careful filling of the voids between the PS spheres, which is restricted to macro structuring, we are able to simply mix the PS template and a commercially available silazane precursor HTT-1800 in toluene. The key is the alteration of the zeta potential of the PS template leading to a homogeneous dispersion in the silazane-toluene mixture. Removal of solvent gives rise to a highly ordered PS-silazane nano-composites and subsequent pyrolysis leads to mesoporous silicon carbonitride (SiCN materials. The one-pot procedure has two advantages: easy upscaling and the use of PS spheres smaller than 100 nm in diameter, here 60 nm. The PS template was characterized by photon correlation spectroscopy, zeta potential measurements, scanning electron microscopy (SEM, and thermal gravimetric analysis (TGA. The resulting mesoporous SiCN materials were analyzed by SEM, transmission electron microscopy (TEM, nitrogen sorption analysis, and Fourier transform infrared measurements (FT-IR.

  8. The zinc form of carnosine dipeptidase 2 (CN2) has dipeptidase activity but its substrate specificity is different from that of the manganese form.

    Science.gov (United States)

    Okumura, Nobuaki; Takao, Toshifumi

    2017-12-16

    Carnosine dipeptidase II (CN2), a metallopeptidase present in the cytosol of various vertebrate tissues, catalyzes the hydrolysis of carnosine and several other dipeptides in the presence of Mn 2+ . Although the metal-binding center of mouse CN2 is also able to associate with Zn 2+ in vitro, it was not known whether the zinc form of CN2 has any enzymatic activity. In the present study, we show that Zn 2+ has a higher affinity for binding to CN2 than Mn 2+ , as evidenced by native mass spectrometry. The issue of whether the zinc form of CN2 has enzymatic activity was also examined using various dipeptides as substrates. The findings indicate that the zinc form of CN2 catalyzes the hydrolysis of several different dipeptides including Leu-His, Met-His and Ala-His at a reaction rate comparable to that for its manganese form. On the other hand, the zinc form of CN2 did not catalyze the hydrolysis of carnosine and several other dipeptides that are hydrolyzed by the manganese form of CN2. Substrate specificity was also examined in HEK293T cells expressing CN2, and the findings indicate that Leu-His, Met-His, but not carnosine, were hydrolyzed in the cell culture. These results suggest that the zinc form of CN2 is an active enzyme, but with a different substrate specificity from that of the manganese form. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. 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.

  10. Hallucinogen-like effects of 2-([2-(4-cyano-2,5-dimethoxyphenyl) ethylamino]methyl)phenol (25CN-NBOH), a novel N-benzylphenethylamine with 100-fold selectivity for 5-HT2A receptors, in mice

    DEFF Research Database (Denmark)

    Fantegrossi, William E; Gray, Bradley W; Bailey, Jessica M

    2015-01-01

    , and 25CN-NBOH was tested for generalization. RESULTS: 25CN-NBOH induced a head twitch response in the mouse that was lower in magnitude than that of DOI, blocked by M100907, but not altered by RS102221. DOI-elicited head twitch was dose-dependently attenuated by 25CN-NBOH pretreatment. 25CN-NBOH produced...

  11. Titanium: light, strong, and white

    Science.gov (United States)

    Woodruff, Laurel; Bedinger, George

    2013-01-01

    Titanium (Ti) is a strong silver-gray metal that is highly resistant to corrosion and is chemically inert. It is as strong as steel but 45 percent lighter, and it is twice as strong as aluminum but only 60 percent heavier. Titanium dioxide (TiO2) has a very high refractive index, which means that it has high light-scattering ability. As a result, TiO2 imparts whiteness, opacity, and brightness to many products. ...Because of the unique physical properties of titanium metal and the whiteness provided by TiO2, titanium is now used widely in modern industrial societies.

  12. 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.

  13. 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.

  14. 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.

  15. 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)

  16. Structural and electrical characterization of bamboo-shaped C-N nanotubes-poly ethylene oxide (PEO) composite films

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Ram Manohar, E-mail: rmanohar28@yahoo.co.in; Dobal, Pramod S. [VSSD College, Department of Physics (India)

    2012-10-15

    We have prepared bamboo-shaped C-N nanotubes-polyethylene oxide (PEO) composite films by solution cast technique and investigated their structural/microstructural and electrical properties and developed a correlation between them. The formation of clean compartmentalized bamboo-shaped C-N nanotubes was confirmed by TEM. SEM investigations revealed a homogeneous dispersion of nanotubes in PEO matrix. Enhanced electrical conductivity was observed for the C-N nanotubes-PEO composites than bare PEO. The conductivity measurements on the C-N nanotubes-PEO composite films with {approx}20 wt % concentration of C-N nanotubes showed an increase of eight orders ({approx}7.5 Multiplication-Sign 10{sup -8} to 6.2 S cm{sup -1}) of magnitude in conductivity from bare PEO film. Raman spectra showed the stress-free nature of the composites and established the bonding of nanotubes with PEO, which resulted in the variation of Raman parameters. The Raman data of composites corroborate the findings of variation in electrical conductivity.

  17. 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.

  18. Mechanical Properties And Microstructure Of AlN/SiCN Nanocomposite Coatings Prepared By R.F.-Reactive Sputtering Method

    Directory of Open Access Journals (Sweden)

    Nakafushi Y.

    2015-06-01

    Full Text Available FIn this work, AlN/SiCN composite coatings were deposited by r.f.-reactive sputtering method using a facing target-type sputtering (FTS apparatus with composite targets consisting of Al plate and SiC chips in a gaseous mixture of Ar and N2, and investigated their mechanical properties and microstructure. The indentation hardness (HIT of AlN/SiCN coatings prepared from composite targets consisting of 8 ~32 chips of SiC and Al plate showed the maximum value of about 29~32 GPa at a proper nitrogen gas flow rate. X-ray diffraction (XRD patterns for the AlN/SiCN composite coatings indicated the presence of the only peeks of hexagonal (B4 structured AlN phase. AlN coatings clarified the columnar structure of the cross sectional view TEM observation. On the other hand, microstructure of AlN/SiCN composite coatings changed from columnar to equiaxed structure with increasing SiCN content. HR-TEM observation clarified that the composite coatings consisted of very fine equiaxial grains of B4 structured AlN phase and amorphous phase.

  19. PREDICTION OF THE SPECTROSCOPIC PARAMETERS OF NEW IRON COMPOUNDS: HYDRIDE OF IRON CYANIDE/ISOCYANIDE, HFeCN/HFeNC

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio, E-mail: predondo@qf.uva.es [Departamento de Química Física y Química Inorgánica Facultad de Ciencias, Universidad de Valladolid Campus Miguel Delibes Paseo de Belén 7, E-47011, Valladolid (Spain)

    2016-09-01

    Iron is the most abundant transition metal in space. Its abundance is similar to that of magnesium, and until today only, FeO and FeCN have been detected. However, magnesium-bearing compounds such as MgCN, MgNC, and HMgNC are found in IRC+10216. It seems that the hydrides of iron cyanide/isocyanide could be good candidates to be present in space. In the present work we carried out a characterization of the different minima on the quintet and triplet [C, Fe, H, N] potential energy surfaces, employing several theoretical approaches. The most stable isomers are predicted to be hydride of iron cyanide HFeCN, and isocyanide HFeNC, in their {sup 5}Δ states. Both isomers are found to be quasi-isoenergetics. The HFeNC isomer is predicted to lie about 0.5 kcal/mol below HFeCN. The barrier for the interconversion process is estimated to be around 6.0 kcal/mol, making this process unfeasible under low temperature conditions, such as those in the interstellar medium. Therefore, both HFeCN and HFeNC could be candidates for their detection. We report geometrical parameters, vibrational frequencies, and rotational constants that could help with their experimental characterization.

  20. Interaction Effect between Elevated CO2 and Fertilization on Biomass, Gas Exchange and C/N Ratio of European Beech (Fagus sylvatica L.)

    Science.gov (United States)

    Lotfiomran, Neda; Köhl, Michael; Fromm, Jörg

    2016-01-01

    The effects of elevated CO2 and interaction effects between elevated CO2 and nutrient supplies on growth and the C/N ratio of European beech (Fagus sylvatica L.) saplings were studied. One-year-old beech saplings were grown in a greenhouse at ambient (385 ppm) and elevated CO2 (770 ppm/950 ppm), with or without fertilization for two growing seasons. In this study, emphasis is placed on the combined fertilization including phosphorus, potassium and nitrogen with two level of elevated CO2. The fertilized plants grown under elevated CO2 had the highest net leaf photosynthesis rate (Ac). The saplings grown under elevated CO2 had a significantly lower stomatal conductance (gs) than saplings grown under ambient air. No interaction effect was found between elevated CO2 and fertilization on Ac. A interaction effect between CO2 and fertilization, as well as between date and fertilization and between date and CO2 was detected on gs. Leaf chlorophyll content index (CCI) and leaf nitrogen content were strongly positively correlated to each other and both of them decreased under elevated CO2. At the end of both growing seasons, stem dry weight was greater under elevated CO2 and root dry weight was not affected by different treatments. No interaction effect was detected between elevated CO2 and nutrient supplies on the dry weight of different plant tissues (stems and roots). However, elevated CO2 caused a significant decrease in the nitrogen content of plant tissues. Nitrogen reduction in the leaves under elevated CO2 was about 10% and distinctly higher than in the stem and root. The interaction effect of elevated CO2 and fertilization on C/N ratio in plants tissues was significant. The results led to the conclusion that photosynthesis and the C/N ratio increased while stomatal conductance and leaf nitrogen content decreased under elevated CO2 and nutrient-limited conditions. In general, under nutrient-limited conditions, the plant responses to elevated CO2 were decreased. PMID

  1. ON THE PROGENITOR OF THE TYPE II-PLATEAU SN 2008cn in NGC 4603

    International Nuclear Information System (INIS)

    Elias-Rosa, Nancy; Van Dyk, Schuyler D.; Li, Weidong; Filippenko, Alexei V.; Foley, Ryan J.; Smith, Nathan; Morrell, Nidia; Gonzalez, Sergio; Hamuy, Mario; Cuillandre, Jean-Charles

    2009-01-01

    A trend is emerging regarding the progenitor stars that give rise to the most common core-collapse supernovae (SNe), those of Type II-Plateau (II-P): they generally appear to be red supergiants with a limited range of initial masses, ∼8-16 M sun . Here, we consider another example, SN 2008cn, in the nearly face-on spiral galaxy NGC 4603. Even with limited photometric data, it appears that SN 2008cn is not a normal SN II-P, but is of the high-luminosity subclass. Through comparison of pre- and post-explosion images obtained with the Wide Field and Planetary Camera 2 on board the Hubble Space Telescope, we have isolated a supergiant star prior to explosion at nearly the same position as the SN. We provide evidence that this supergiant may well be the progenitor of the SN, although this identification is not entirely unambiguous. This is exacerbated by the distance to the host galaxy, 33.3 Mpc, making SN 2008cn the most distant SN II-P yet for which an attempt has been made to identify a progenitor star in pre-SN images. The progenitor candidate has a more yellow color ([V - I] 0 = 0.98 mag and T eff = 5200 ± 300 K) than generally would be expected and, if a single star, would require that it exploded during a 'blue loop' evolutionary phase, which is theoretically not expected to occur. Nonetheless, we estimate an initial mass of M ini = 15 ± 2 M sun for this star, which is within the expected mass range for SN II-P progenitors. The yellower color could also arise from the blend of two or more stars, such as a red supergiant and a brighter, blue supergiant. Such a red supergiant hidden in this blend could instead be the progenitor and would also have an initial mass within the expected progenitor mass range. Furthermore, the yellow supergiant could be in a massive, interacting binary system, analogous to the possible yellow supergiant progenitor of the high-luminosity SN II-P 2004et. Finally, if the yellow supergiant is not the progenitor, or is not a stellar

  2. Structure and properties of TiSiCN coatings with different bias voltages by arc ion plating

    Science.gov (United States)

    Xie, Xinming; Li, Jinlong; Dong, Minpeng; Zhang, Henghua; Wang, Liping

    2018-03-01

    TiSiCN coatings were deposited on 316 L steel using the multi-arc ion plating system. All the coatings had the same total thickness of approximately 1.6 µm. The TiSiCN coatings were deposited under the mixture constant flow of N2 and C2H2 but varying bias. Information about structures, composition and properties were characterized by scanning electron microscope, x-ray diffraction, x-ray photoelectron spectroscopy, nanoindentation and ball-on-plate wear tests. The results show that all of the coatings consist of a TiCN nano-crystal phase and an Si3N4 amorphous phase. With an increase in the bias, the film becomes denser and exhibits better tribological behavior and mechanical properties. Moreover, the bonding strength between the coatings and the substrate increased and the resistance to thermal shock intensified when the coatings were made at a higher bias voltage.

  3. Structural insights into Cn-AMP1, a short disulfide-free multifunctional peptide from green coconut water.

    Science.gov (United States)

    Santana, Mábio J; de Oliveira, Aline L; Queiroz Júnior, Luiz H K; Mandal, Santi M; Matos, Carolina O; Dias, Renata de O; Franco, Octavio L; Lião, Luciano M

    2015-02-27

    Multifunctional and promiscuous antimicrobial peptides (AMPs) can be used as an efficient strategy to control pathogens. However, little is known about the structural properties of plant promiscuous AMPs without disulfide bonds. CD and NMR were used to elucidate the structure of the promiscuous peptide Cn-AMP1, a disulfide-free peptide isolated from green coconut water. Data here reported shows that peptide structure is transitory and could be different according to the micro-environment. In this regard, Cn-AMP1 showed a random coil in a water environment and an α-helical structure in the presence of SDS-d25 micelles. Moreover, deuterium exchange experiments showed that Gly4, Arg5 and Met9 residues are less accessible to solvent, suggesting that flexibility and cationic charges seem to be essential for Cn-AMP1 multiple activities. Copyright © 2015 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  4. A highly selective fluorescent chemosensor for CN- based on a novel bis(salamo)-type tetraoxime ligand

    Science.gov (United States)

    Wang, Fei; Gao, Lei; Zhao, Qing; Zhang, Yang; Dong, Wen-Kui; Ding, Yu-Jie

    2018-02-01

    The optical properties of a novel chemosensor for cyanide anions based on a symmetric bis(salamo)-type ligand (H3L) were investigated by UV-Vis and fluorescence spectroscopy in MeOH/H2O (1:1 v/v) solution. Sensor H3L can selectively sense CN- based on prominent color changes among other anions. The chemosensor exhibits an apparent fluorescence enhancement at 482 nm to CN- which because cyanide ions interact with Cdbnd N bonds. Combining the corrected Benesi-Hildebrand formula, the binding constant of the formed host-guest complex was calculated as 2.42 × 105 M- 1. Meanwhile, the detection limit of the sensor toward CN- was 8.91 × 10- 7 M. It is worth noting that the designed sensor can be used for rapid detection of cyanide anions in basic pH range, and has great practical value.

  5. 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

  6. Enhanced Photocatalytic Degradation of Methyl Orange Dye under the Daylight Irradiation over CN-TiO₂ Modified with OMS-2.

    Science.gov (United States)

    Hassan, Mohamed Elfatih; Chen, Jing; Liu, Guanglong; Zhu, Duanwei; Cai, Jianbo

    2014-12-12

    In this study, CN-TiO₂ was modified with cryptomelane octahedral molecular sieves (OMS-2) by the sol-gel method based on the self-assembly technique to enhance its photocatalytic activity under the daylight irradiation. The synthesized samples were characterized by X-ray diffraction (XRD), UV-vis spectroscopy, Fourier transform infrared spectroscopy (FT-IR) and porosimeter analysis. The results showed that the addition of OMS-2 in the sol lead to higher Brunauer-Emmett-Teller (BET) surface area, pore volume, porosity of particle after heat treatment and the specific surface area, porosity, crystallite size and pore size distribution could be controlled by adjusting the calcination temperature. Compared to the CN-TiO₂-400 sample, CN-TiO₂/OMS-2-400 exhibited greater red shift in absorption edge of samples in visible region due to the OMS-2 coated. The enhancement of photocatalytic activity of CN-TiO₂/OMS-2 composite photocatalyst was subsequently evaluated for the degradation of the methyl orange dye under the daylight irradiation in water. The results showed that the methyl orange dye degradation rate reach to 37.8% for the CN-TiO₂/OMS-2-400 sample under the daylight irradiation for 5 h, which was higher than that of reference sample. The enhancement in daylight photocatalytic activities of the CN-TiO₂/OMS samples could be attributed to the synergistic effects of OMS-2 coated, larger surface area and red shift in adsorption edge of the prepared sample.

  7. Identifying significant environmental features using feature recognition.

    Science.gov (United States)

    2015-10-01

    The Department of Environmental Analysis at the Kentucky Transportation Cabinet has expressed an interest in feature-recognition capability because it may help analysts identify environmentally sensitive features in the landscape, : including those r...

  8. Semantic image segmentation with fused CNN features

    Science.gov (United States)

    Geng, Hui-qiang; Zhang, Hua; Xue, Yan-bing; Zhou, Mian; Xu, Guang-ping; Gao, Zan

    2017-09-01

    Semantic image segmentation is a task to predict a category label for every image pixel. The key challenge of it is to design a strong feature representation. In this paper, we fuse the hierarchical convolutional neural network (CNN) features and the region-based features as the feature representation. The hierarchical features contain more global information, while the region-based features contain more local information. The combination of these two kinds of features significantly enhances the feature representation. Then the fused features are used to train a softmax classifier to produce per-pixel label assignment probability. And a fully connected conditional random field (CRF) is used as a post-processing method to improve the labeling consistency. We conduct experiments on SIFT flow dataset. The pixel accuracy and class accuracy are 84.4% and 34.86%, respectively.

  9. Synthesis and high temperature stability of amorphous Si(B)CN-MWCNT composite nanowires

    Science.gov (United States)

    Bhandavat, Romil; Singh, Gurpreet

    2012-02-01

    We demonstrate synthesis of a hybrid nanowire structure consisting of an amorphous polymer-derived silicon boron-carbonitride (Si-B-C-N) shell with a multiwalled carbon nanotube core. This was achieved through a novel process involving preparation of a boron-modified liquid polymeric precursor through a reaction of trimethyl borate and polyureasilazane under atmospheric conditions; followed by conversion of polymer to glass-ceramic on carbon nanotube surfaces through controlled heating. Chemical structure of the polymer was studied by liquid-NMR while evolution of various ceramic phases was studied by Raman spectroscopy, solid-NMR, Fourier transform infrared and X-ray photoelectron spectroscopy. Electron microscopy and X-ray diffraction confirms presence of amorphous Si(B)CN coating on individual nanotubes for all specimen processed below 1400 degree C. Thermogravimetric analysis, followed by TEM revealed high temperature stability of the carbon nanotube core in flowing air up to 1300 degree C.

  10. The Abundance of CN. Calcium and Heavy Elements in High Velocity Stars.

    Science.gov (United States)

    Eggen, Olin J.

    1997-08-01

    Based on the most likely members of the HR 1614 supercluster and Arcturus group of old disk stars and the Kapteyn's star and Ross 451 groups of halo objects, the efficacy of various indices measuring the abundance of CN, Ca, and heavy elements Fe is tested. A calibration of the hk index (Twarog & Anthony Twarog 1995, AJ, 109, 2828) leads to Ca abundances that are twice the heavy element (Fe) abundance in the range from [Fe/H]= +0.10 to -3.0 dex but for about one-half the giants, and a third of the dwarfs, with [Fe/H] -0.9 dex and V> -120 km/s.

  11. Intramolecular solvation effects in the SN2 reaction Cl-+Cl(CH2)nCN

    International Nuclear Information System (INIS)

    Pagliai, Marco; Raugei, Simone; Cardini, Gianni; Schettino, Vincenzo

    2003-01-01

    The chemical reactions Cl - +Cl(CH 2 ) n CN (n=2-5) have been studied with ab initio molecular dynamics. The effects of the cyano group on the energy profile of the reactions as the length of the alkilic chain increases have been discussed in terms of electrostatics of the systems. The thermal effects have been computed in the Blue Moon Ensemble showing a large influence on the energy barriers. It has been shown that six membered hydrogen-bonded pre-reactive complexes are stable even at room temperature. The results of the simulation allow for an explanation for the increased reactivity of these systems compared to the parent Cl - +Cl(CH 2 ) n CH 3 reactions

  12. Solid-Phase Reactions of D with CN to Form DNC and DCN at Cryogenic Temperatures

    Science.gov (United States)

    Hiraoka, K.; Ushiama, S.; Enoura, T.; Unagiike, H.; Mochizuki, N.; Wada, A.

    2006-06-01

    A mixed gas of N2/HCN (50/1) at a few torr was activated by a direct current discharge and was deposited on a gold-plated copper substrate at 10, 15, and 20 K. During the deposition of plasma-activated sample gas, D atoms produced by the direct current discharge of D2 were simultaneously sprayed over the solid film. The association reactions of CN with D at 10 K were found to generate DNC and DCN with an intensity ratio DNC/DCN of about 3 in the infrared absorption spectra. This high ratio is in line with the high abundance ratios of HNC/HCN observed in the dark clouds. The formation of DNC and DCN became negligible at 20 K, due to the decrease of the sticking probability of D atoms on the solid surface. Ammonia was not detected as a reaction product from reaction of D with N atoms trapped in the N2 matrix.

  13. Accelerated C-N Bond Formation in Dropcast Thin Films on Ambient Surfaces

    Science.gov (United States)

    Badu-Tawiah, Abraham K.; Campbell, Dahlia I.; Cooks, R. Graham

    2012-09-01

    The aza-Michael addition and the Mannich condensation occur in thin films deposited on ambient surfaces. The reagents for both C-N bond formation reactions were transferred onto the surface by drop-casting using a micropipette. The surface reactions were found to be much more efficient than the corresponding bulk solution-phase reactions performed on the same scale in the same acetonitrile solvent. The increase in rate of product formation in the thin film is attributed to solvent evaporation in the open air which results in reagent concentration and produces rate acceleration similar to that seen in evaporating droplets in desorption electrospray ionization. This thin film procedure has potential for the rapid synthesis of reaction products on a small scale, as well as allowing rapid derivatization of analytes to produce forms that are easily ionized by electrospray ionization. Analysis of the derivatized sample directly from the reaction surface through the use of desorption electrospray ionization is also demonstrated.

  14. Tear gasses CN, CR, and CS are potent activators of the human TRPA1 receptor

    International Nuclear Information System (INIS)

    Brone, Bert; Peeters, Pieter J.; Marrannes, Roger; Mercken, Marc; Nuydens, Ronny; Meert, Theo; Gijsen, Harrie J.M.

    2008-01-01

    The TRPA1 channel is activated by a number of pungent chemicals, such as allylisothiocyanate, present in mustard oil and thiosulfinates present in garlic. Most of the known activating compounds contain reactive, electrophilic chemical groups, reacting with cysteine residues in the active site of the TRPA1 channel. This covalent modification results in activation of the channel and has been shown to be reversible for several ligands. Commonly used tear gasses CN, CR and CS are also pungent chemicals, and in this study we show that they are extremely potent and selective activators of the human TRPA1 receptor. To our knowledge, these are the most potent TRPA1 agonists known to date. The identification of the molecular target for these tear gasses may open up possibilities to alleviate the effects of tear gasses via treatment with TRPA1 antagonists. In addition these results may contribute to the basic knowledge of the TRPA1 channel that is gaining importance as a pharmacological target

  15. 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

  16. 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)

  17. E. S. R. studies of electron irradiated K/sub 3/Ir(CN)/sub 6/ in KCl single crystals. Mono and di-chlorinated species

    Energy Technology Data Exchange (ETDEWEB)

    Vugman, N.V.; Pinhal, N.M. (Rio de Janeiro Univ. (Brazil). Inst. de Fisica)

    1983-08-20

    E.S.R. studies of KCl single crystals doped with small amounts of K/sub 3/Ir(CN)/sub 6/ and submitted to a prolonged 2 MeV electron irradiation at room temperature reveal the presence of the species (Ir(CN)/sub 5/Cl)/sup 4 -/ and (Ir(CN)/sub 4/Cl/sub 2/)/sup 4 -/. Ligand spin densities and ligand field parameters are calculated from the experimental hyperfine and superhyperfine interactions and compared with previous data on the species (Ir(CN)/sub 5/)/sup 4 -/.

  18. Effect of nano-CeO 2 on microstructure properties of TiC/TiN+TiCN ...

    Indian Academy of Sciences (India)

    TiC/TiN+TiCN-reinforced composite coatings were fabricated on Ti–6Al–4V alloy by laser cladding, which improved surface performance of the substrate. ... X-ray diffraction results indicated that Al3Ti+TiC/TiN+nano-CeO2 laser-cladded coating consisted of Ti3Al, TiC, TiN, Ti2Al20Ce, TiC0.3N0.7, Ce(CN)3 and CeO2, this ...

  19. 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.

  20. Elastic depolarization and polarization transfer in CN (A2Π, v = 4) + Ar collisions

    OpenAIRE

    Ballingall, Iain; Rutherford, Michael F; McKendrick, Kenneth; Costen, Matthew Lawrence

    2010-01-01

    Abstract Rate constants for collisional loss and transfer of population and rotational angular momentum alignment have been determined for the CN(A2?, v = 4) + Ar system. Aligned samples of CN(A2?, v = 4, F1, j = 1.5 ? 23.5 e) were prepared by optical pumping on the A-X(4,0) band. Their evolution was observed using Doppler-resolved Frequency-Modulated Spectroscopy in stimulated emission on the A-X(4,2) band. State-resolved total population removal rate constants, and state-to-state...

  1. Magnetocaloric effect in M-pyrazole-[Nb(CN)(8)] (M = Ni, Mn) molecular compounds.

    Science.gov (United States)

    Fitta, Magdalena; Bałanda, Maria; Mihalik, Marian; Pełka, Robert; Pinkowicz, Dawid; Sieklucka, Barbara; Zentkova, Maria

    2012-12-19

    We report a study of magnetocaloric effect (MCE) in cyanido-bridged {[M(II)(pyrazole)(4)](2)[Nb(IV)(CN)(8)]·4H(2)O}(n) molecular compounds where M = Ni, Mn, pyrazole = C(3)H(4)N(2). The substances show a sharp phase transition to a long range magnetically ordered state, with ferromagnetic coupling between M and Nb sublattices in the case of the Ni-based sample 1 (T(c) = 13.4 K) and ferrimagnetic coupling for the Mn-based sample 2 (T(c) = 23.8 K). The magnetic entropy change ΔS due to applied field change ΔH as a function of temperature was determined by the magnetization and heat capacity measurements. The maximum value of ΔS at μ(0)ΔH = 5 T is 6.1 J mol(-1) K(-1) (5.9 J kg(-1) K(-1)) for 1 at T = 14 K and 6.7 J mol(-1) K(-1) (6.5 J kg(-1) K(-1)) for 2 at T = 25 K. MCE data at different applied fields have been presented as one universal curve, which confirms magnetic transitions in 1 and 2 to be of second order. The temperature dependences of the n exponent characterizing the dependence of ΔS on ΔH have been obtained. The n(T(c)) values, consistent with the shape of the magnetization curves, pointed to the 3D Heisenberg behaviour for 2 and some anisotropy, probably of the XY type, for 1. The (H/T(c))(2/3) dependence of the maximum entropy change has been tested in the ferrimagnetic Mn(2)-L-[Nb(CN)(8)] (L = C(3)H(4)N(2), C(4)H(4)N(2)) series.

  2. The SNAP Strong Lens Survey

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, P.

    2005-01-03

    Basic considerations of lens detection and identification indicate that a wide field survey of the types planned for weak lensing and Type Ia SNe with SNAP are close to optimal for the optical detection of strong lenses. Such a ''piggy-back'' survey might be expected even pessimistically to provide a catalogue of a few thousand new strong lenses, with the numbers dominated by systems of faint blue galaxies lensed by foreground ellipticals. After sketching out our strategy for detecting and measuring these galaxy lenses using the SNAP images, we discuss some of the scientific applications of such a large sample of gravitational lenses: in particular we comment on the partition of information between lens structure, the source population properties and cosmology. Understanding this partitioning is key to assessing strong lens cosmography's value as a cosmological probe.

  3. Strong coupling phase in QED

    International Nuclear Information System (INIS)

    Aoki, Ken-ichi

    1988-01-01

    Existence of a strong coupling phase in QED has been suggested in solutions of the Schwinger-Dyson equation and in Monte Carlo simulation of lattice QED. In this article we recapitulate the previous arguments, and formulate the problem in the modern framework of the renormalization theory, Wilsonian renormalization. This scheme of renormalization gives the best understanding of the basic structure of a field theory especially when it has a multi-phase structure. We resolve some misleading arguments in the previous literature. Then we set up a strategy to attack the strong phase, if any. We describe a trial; a coupled Schwinger-Dyson equation. Possible picture of the strong coupling phase QED is presented. (author)

  4. Electronic, bonding, and optical properties of 1d [CuCN]n (n = 1-10) chains, 2d [CuCN]n (n = 2-10) nanorings, and 3d [Cun (CN)n ]m (n = 4, m = 2, 3; n = 10, m = 2) tubes studied by DFT/TD-DFT methods.

    Science.gov (United States)

    Tsipis, Athanassios C; Stalikas, Alexandros V

    2015-06-30

    The electronic, bonding, and photophysical properties of one-dimensional [CuCN](n) (n = 1-10) chains, 2-D [CuCN](n) (n = 2-10) nanorings, and 3-D [Cu(n)(CN)(n)](m) (n = 4, m = 2, 3; n = 10, m = 2) tubes are investigated by means of a multitude of computational methodologies using density functional theory (DFT) and time-dependent-density-functional theory (TD-DFT) methods. The calculations revealed that the 2-D [CuCN](n) (n = 2-10) nanorings are more stable than the respective 1-D [CuCN](n) (n = 2-10) linear chains. The 2-D [CuCN](n) (n = 2-10) nanorings are predicted to form 3-D [Cun (CN)(n)](m) (n = 4, m = 2, 3; n = 10, m = 2) tubes supported by weak stacking interactions, which are clearly visualized as broad regions in real space by the 3D plots of the reduced density gradient. The bonding mechanism in the 1-D [CuCN](n) (n = 1-10) chains, 2-D [CuCN](n) (n = 2-10) nanorings, and 3-D [Cu(n)(CN)(n)](m) (n = 4, m = 2, 3; n = 10, m = 2) tubes are easily recognized by a multitude of electronic structure calculation approaches. Particular emphasis was given on the photophysical properties (absorption and emission spectra) of the [CuCN](n) chains, nanorings, and tubes which were simulated by TD-DFT calculations. The absorption and emission bands in the simulated TD-DFT absorption and emission spectra have thoroughly been analyzed and assignments of the contributing principal electronic transitions associated to individual excitations have been made. © 2015 Wiley Periodicals, Inc.

  5. 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

  6. Strong Decomposition of Random Variables

    DEFF Research Database (Denmark)

    Hoffmann-Jørgensen, Jørgen; Kagan, Abram M.; Pitt, Loren D.

    2007-01-01

    A random variable X is stongly decomposable if X=Y+Z where Y=Φ(X) and Z=X-Φ(X) are independent non-degenerated random variables (called the components). It is shown that at least one of the components is singular, and we derive a necessary and sufficient condition for strong decomposability...

  7. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    Abstract. We review two methods discussed in the literature to determine the effective parameters of strongly interacting particles as they move through a heat bath. The first one is the general method of chiral perturbation theory, which may be readily applied to this problem. The other is the method of thermal QCD sum rules ...

  8. Strong-strong beam-beam simulation on parallel computer

    Energy Technology Data Exchange (ETDEWEB)

    Qiang, Ji

    2004-08-02

    The beam-beam interaction puts a strong limit on the luminosity of the high energy storage ring colliders. At the interaction points, the electromagnetic fields generated by one beam focus or defocus the opposite beam. This can cause beam blowup and a reduction of luminosity. An accurate simulation of the beam-beam interaction is needed to help optimize the luminosity in high energy colliders.

  9. Strong-strong beam-beam simulation on parallel computer

    International Nuclear Information System (INIS)

    Qiang, Ji

    2004-01-01

    The beam-beam interaction puts a strong limit on the luminosity of the high energy storage ring colliders. At the interaction points, the electromagnetic fields generated by one beam focus or defocus the opposite beam. This can cause beam blowup and a reduction of luminosity. An accurate simulation of the beam-beam interaction is needed to help optimize the luminosity in high energy colliders

  10. Effects of C/N ratio and substrate addition on natural food communities in freshwater prawn monoculture ponds

    NARCIS (Netherlands)

    Asaduzzaman, M.; Rahman, M.M.; Azim, M.E.; Islam, M.A.; Wahab, M.A.; Verdegem, M.C.J.; Verreth, J.A.J.

    2010-01-01

    An on-station trial was conducted to investigate the effects of three C/N ratios (10/1, 15/1 and 20/1) along with substrate presence or absence on natural food communities in freshwater prawn culture ponds. An experiment was carried out in 40 m2 ponds stocked with a stocking density of 2 prawn

  11. Rainfall - CN (Curve Number relationships in a tropical rainforest microbasin within the Panamá Canal watershed

    Directory of Open Access Journals (Sweden)

    José R. Fábrega D

    2012-01-01

    Full Text Available Relaciones de Precipitación (P y Número de Curva (CN para diferentesrangos de flujo base obtenidas dentro de la cuenca alta del Río Chagres fueron aplicadas a una microcuenca de 6.5 Ha localizada dentro de la cuenca del Canal de Panamá. Estas relaciones estiman valores de CN a partir de los datos de P empleando una ecuación establecida por Calvo et al (10. Esta ecuación usa k y CN∞ como parámetros de ajuste. Datos de precipitación/escorrentía de la microcuenca, colectados en un período de 6 meses fueron analizados. Estos análisis mostraron que los valores de CN en la microcuenca son más cercanos a los valores de CN predichos por la ecuación correspondiente al rango más bajo de los flujos base (14-42 m3/s de la cuenca alta del Río Chagres. Estos resultados se explican si consideramos no los valores absolutos del flujo base Qbase, sino los valores relativos de este parámetro con respecto al área de la cuenca bajo estudio.

  12. Comparative characterization of nitrogen-rich CN.sub.x./sub. films prepared by different ICP-CVD techniques

    Czech Academy of Sciences Publication Activity Database

    Popov, C.; Bulíř, Jiří; Zambov, L. M.; Delplancke-Ogletree, M. P.; Kulisch, W.

    2001-01-01

    Roč. 11, - (2001), s. 731-738 ISSN 1155-4339 Institutional research plan: CEZ:AV0Z1010914 Keywords : nitrogen rich CN x films * ICP/CVP Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.401, year: 2001

  13. VizieR Online Data Catalog: PH2CN/CH3PH2 rotational transition f

    Science.gov (United States)

    Halfen, D. T.; Clouthier, D. J.; Ziurys, L. M.

    2017-05-01

    The astronomical searches for PH2CN and CH3PHSIS mixers, tuned single-sideband with image rejection typically >=18 dB. Data were also taken using a new dual-polarization receiver, utilizing ALMA Band 3 (83-116 GHz) sideband-separating (SBS) mixers with typical image rejection >=16 dB, achieved within the mixer assembly. (2 data files).

  14. Carbon, nitrogen, C/N ratio and their stand heterogeneity in the soil of Norway spruce stands

    Directory of Open Access Journals (Sweden)

    Valerie Vranová

    2010-01-01

    Full Text Available This work is aimed to determine the effect of thinning of young spruce stands in Moravian-Silesian Beskids Mts. on concentrations and relative stand heterogeneity of Cox, Nt and C/N in soil. Concentrations of Cox and Nt were significantly higher in individual horizons of forest humus floor. The thinning did not influence significantly (P > 0.05 concentrations of Cox, Nt and C/N ratio in particular soil horizons, with the exception of C/N ration in E horizon. Relative stand heterogeneity of the studied soil properties was mostly higher in soil of dense forest stand. The values of relative stand heterogeneity for individual horizons ranged from 3.1 to 61.9 % in case of Cox, from 4.9 to 55.2 % for Nt and from 5.3 to 42.5 % for C/N ratio. Results of this work are useful to predict stand heterogeneity of soil biochemical properties which are known to correlate with especially Cox in soil on studied plots, especially soil respiration and enzymatic activities.

  15. 77 FR 62510 - C.N. Brown Electricity, LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes...

    Science.gov (United States)

    2012-10-15

    ... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. ER13-20-000] C.N. Brown Electricity, LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes Request for Blanket... Electricity, LLC's application for market-based rate authority, with an accompanying rate schedule, noting...

  16. Effects of C/N controlled periphyton based organic farming of freshwater prawn on water quality parameters and biotic factors

    Directory of Open Access Journals (Sweden)

    Md. Rezoanul Haque

    2014-08-01

    Full Text Available The effects of C:N controlled periphyton based organic farming of freshwater prawn on water quality parameters and biotic factors were investigated. The experiment had two treatments: T1 and T2 each with three replications. Stocking density was maintained at 20,000 juveniles ha-1. In T1, only commercially available prawn feed was applied and in T2, a locally formulated and prepared feed containing 24% crude protein with C:N ratio close to 20 was used, and maize flour and bamboo side shoots were provided for maintaining C:N ratio 20.Mean values of water quality parameters did not vary significantly (P>0.05 between treatments. Periphytic biomass in terms of dry matter, ash free dry matter (AFDM and chlorophyll a showed significant difference (P<0.05 among different sampling months. Individual harvesting weight, individual weight gain, specific growth rates, gross and net yields of prawn were significantly higher (P<0.05 in T2 than T1. Therefore, it was concluded that freshwater prawn might consume periphyton biomass in C:N controlled periphyton based organic farming practices resulted a significantly (P<0.05 higher production of freshwater prawn than traditional farming.

  17. Differential NtcA Responsiveness to 2-Oxoglutarate Underlies the Diversity of C/N Balance Regulation in Prochlorococcus

    Directory of Open Access Journals (Sweden)

    María A. Domínguez-Martín

    2018-01-01

    Full Text Available Previous studies showed differences in the regulatory response to C/N balance in Prochlorococcus with respect to other cyanobacteria, but no information was available about its causes, or the ecological advantages conferred to thrive in oligotrophic environments. We addressed the changes in key enzymes (glutamine synthetase, isocitrate dehydrogenase and the ntcA gene (the global nitrogen regulator involved in C/N metabolism and its regulation, in three model Prochlorococcus strains: MED4, SS120, and MIT9313. We observed a remarkable level of diversity in their response to azaserine, a glutamate synthase inhibitor which increases the concentration of the key metabolite 2-oxoglutarate, used to sense the C/N balance by cyanobacteria. Besides, we studied the binding between the global nitrogen regulator (NtcA and the promoter of the glnA gene in the same Prochlorococcus strains, and its dependence on the 2-oxoglutarate concentration, by using isothermal titration calorimetry, surface plasmon resonance, and electrophoretic mobility shift. Our results show a reduction in the responsiveness of NtcA to 2-oxoglutarate in Prochlorococcus, especially in the MED4 and SS120 strains. This suggests a trend to streamline the regulation of C/N metabolism in late-branching Prochlorococcus strains (MED4 and SS120, in adaptation to the rather stable conditions found in the oligotrophic ocean gyres where this microorganism is most abundant.

  18. Single-Molecule Break Junctions Based on a Perylene-Diimide Cyano-Functionalized (PDI8-CN2) Derivative

    NARCIS (Netherlands)

    Frisenda, R.; Parlato, L.; Barra, M.; Van der Zant, H.S.J.; Cassinese, A.

    2015-01-01

    In this letter, we report the single-molecule conductance properties of a cyano-functionalized perylene-diimide derivative (PDI8-CN 2 ) investigated with gold nano-electrodes. This molecule is of large interest for the fabrication of high-performance and air-stable n-type organic field-effect

  19. Fracture Toughness of Z3CN20.09M Cast Stainless Steel with Long-Term Thermal Aging

    Science.gov (United States)

    Yu, Weiwei; Yu, Dunji; Gao, Hongbo; Xue, Fei; Chen, Xu

    2017-09-01

    Accelerated thermal aging tests were performed at 400 °C for nearly 18,000 h on Z3CN20.09M cast stainless steel which was used for primary coolant pipes of nuclear power plants. A series of Charpy impact tests were conducted on Z3CN20.09M after different long-term thermal aging time. The test results indicated that the Charpy impact energy of Z3CN20.09M cast stainless steel decreased rapidly at an early stage and then almost saturated after thermal aging of 10,000 h. Furthermore, J-resistance curves were measured for CT specimens of longitudinal and circumferential pipe orientations. It showed that there was no obvious difference in the fracture characteristics of Z3CN20.09M in different sampling directions. In addition, the observed stretch zone width (SZW) revealed that the value of initiation fracture toughness J SZW was significantly lower than that of fracture toughness J IC, indicating a low actual crack initiation energy due to long-term thermal aging.

  20. A generic individual-based model to simulate morphogenesis, C-N acquisition and population dynamics in contrasting forage legumes.

    Science.gov (United States)

    Louarn, Gaëtan; Faverjon, Lucas

    2017-12-29

    Individual-based models (IBMs) are promising tools to disentangle plant interactions in multi-species grasslands and foster innovative species mixtures. This study describes an IBM dealing with the morphogenesis, growth and C-N acquisition of forage legumes that integrates plastic responses from functional-structural plant models. A generic model was developed to account for herbaceous legume species with contrasting above- and below-ground morphogenetic syndromes and to integrate the responses of plants to light, water and N. Through coupling with a radiative transfer model and a three-dimensional virtual soil, the model allows dynamic resolution of competition for multiple resources at individual plant level within a plant community. The behaviour of the model was assessed on a range of monospecific stands grown along gradients of light, water and N availability. The model proved able to capture the diversity of morphologies encountered among the forage legumes. The main density-dependent features known about even-age plant populations were correctly anticipated. The model predicted (1) the 'reciprocal yield' law relating average plant mass to density, (2) a self-thinning pattern close to that measured for herbaceous species and (3) consistent changes in the size structure of plant populations with time and pedo-climatic conditions. In addition, plastic changes in the partitioning of dry matter, the N acquisition mode and in the architecture of shoots and roots emerged from the integration of plant responses to their local environment. This resulted in taller plants and thinner roots when competition was dominated by light, and shorter plants with relatively more developed root systems when competition was dominated by soil resources. A population dynamic model considering growth and morphogenesis responses to multiple resources heterogeneously distributed in the environment was presented. It should allow scaling plant-plant interactions from individual to

  1. Strongly correlated systems experimental techniques

    CERN Document Server

    Mancini, Ferdinando

    2015-01-01

    The continuous evolution and development of experimental techniques is at the basis of any fundamental achievement in modern physics. Strongly correlated systems (SCS), more than any other, need to be investigated through the greatest variety of experimental techniques in order to unveil and crosscheck the numerous and puzzling anomalous behaviors characterizing them. The study of SCS fostered the improvement of many old experimental techniques, but also the advent of many new ones just invented in order to analyze the complex behaviors of these systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. The volume presents a representative collection of the modern experimental techniques specifically tailored for the analysis of strongly correlated systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognize...

  2. Strongly Correlated Systems Theoretical Methods

    CERN Document Server

    Avella, Adolfo

    2012-01-01

    The volume presents, for the very first time, an exhaustive collection of those modern theoretical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciates consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as po...

  3. Strongly correlated systems numerical methods

    CERN Document Server

    Mancini, Ferdinando

    2013-01-01

    This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possi...

  4. Strongly nonlinear oscillators analytical solutions

    CERN Document Server

    Cveticanin, Livija

    2014-01-01

    This book provides the presentation of the motion of pure nonlinear oscillatory systems and various solution procedures which give the approximate solutions of the strong nonlinear oscillator equations. The book presents the original author’s method for the analytical solution procedure of the pure nonlinear oscillator system. After an introduction, the physical explanation of the pure nonlinearity and of the pure nonlinear oscillator is given. The analytical solution for free and forced vibrations of the one-degree-of-freedom strong nonlinear system with constant and time variable parameter is considered. Special attention is given to the one and two mass oscillatory systems with two-degrees-of-freedom. The criteria for the deterministic chaos in ideal and non-ideal pure nonlinear oscillators are derived analytically. The method for suppressing chaos is developed. Important problems are discussed in didactic exercises. The book is self-consistent and suitable as a textbook for students and also for profess...

  5. Flavour Democracy in Strong Unification

    CERN Document Server

    Abel, S A; Abel, Steven; King, Steven

    1998-01-01

    We show that the fermion mass spectrum may naturally be understood in terms of flavour democratic fixed points in supersymmetric theories which have a large domain of attraction in the presence of "strong unification". Our approach provides an alternative to the approximate Yukawa texture zeroes of the Froggatt-Nielsen mechanism. We discuss a particular model based on a broken gauged $SU(3)_L\\times SU(3)_R$ family symmetry which illustrates our approach.

  6. Near-infrared Spectroscopic Observations of Comet C/2013 R1 (Lovejoy) by WINERED: CN Red-system Band Emission

    Energy Technology Data Exchange (ETDEWEB)

    Shinnaka, Yoshiharu; Yasui, Chikako; Izumi, Natsuko [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Kawakita, Hideyo; Kondo, Sohei; Ikeda, Yuji; Kobayashi, Naoto; Hamano, Satoshi; Sameshima, Hiroaki; Fukue, Kei; Matsunaga, Noriyuki; Otsubo, Shogo; Takenaka, Keiichi; Watase, Ayaka; Kawanishi, Takafumi; Nakanishi, Kenshi; Nakaoka, Tetsuya [Laboratory of Infrared High-resolution Spectroscopy, Koyama Astronomical Observatory, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Mizumoto, Misaki, E-mail: yoshiharu.shinnaka@nao.ac.jp, E-mail: kawakthd@cc.kyoto-su.ac.jp [Department of Astronomy, School of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2017-08-01

    Although high-resolution spectra of the CN red-system band are considered useful in cometary sciences, e.g., in the study of isotopic ratios of carbon and nitrogen in cometary volatiles, there have been few reports to date due to the lack of high-resolution ( R  ≡  λ /Δ λ  > 20,000) spectrographs in the near-infrared region around ∼1 μ m. Here, we present the high-resolution emission spectrum of the CN red-system band in comet C/2013 R1 (Lovejoy), acquired by the near-infrared high-resolution spectrograph WINERED mounted on the 1.3 m Araki telescope at the Koyama Astronomical Observatory, Kyoto, Japan. We applied our fluorescence excitation models for CN, based on modern spectroscopic studies, to the observed spectrum of comet C/2013 R1 (Lovejoy) to search for CN isotopologues ({sup 13}C{sup 14}N and {sup 12}C{sup 15}N). We used a CN fluorescence excitation model involving both a “pure” fluorescence excitation model for the outer coma and a “fully collisional” fluorescence excitation model for the inner coma region. Our emission model could reproduce the observed {sup 12}C{sup 14}N red-system band of comet C/2013 R1 (Lovejoy). The derived mixing ratio between the two excitation models was 0.94(+0.02/−0.03):0.06(+0.03/−0.02), corresponding to the radius of the collision-dominant region of ∼800–1600 km from the nucleus. No isotopologues were detected. The observed spectrum is consistent, within error, with previous estimates in comets of {sup 12}C/{sup 13}C (∼90) and {sup 14}N/{sup 15}N (∼150).

  7. Low litter N constrained earthworm-induced soil carbon pools loss across differing C:N litters

    Science.gov (United States)

    Zheng, Yong; Liu, Manqiang; Wang, Shuai; Bonkowski, Michael; Chen, Xiaoyun; Griffiths, Bryan; Hu, Feng

    2017-04-01

    Earthworms regulate soil carbon (C) and nitrogen (N) pools via modifying soil microbial biomass and extracellular enzyme activities. However, previous studies on earthworm-driven C and N cycling considered only C or N, reflecting single-element limitation. Understanding the stoichiometric variation of microbial biomass and extracellular enzyme activities would help to reveal the mechanisms of how earthworms affect the coupled soil C and N dynamics. A microcosm experiment was conducted to access how earthworms influenced microbial stoichiometry and different fractions of soil C and N pools in the presence of six different litters with contrasting C:N ratio ranging from 22 to 150. A treatment without litter was used as control. Earthworm biomass increased with the decreasing of litter C:N ratio except clover litter, indicating earthworms was constrained by N availability. Earthworms reduced particulate organic nitrogen (PON) and soil total nitrogen (TN), but the extent was less than the C content in the corresponding fractions, leading to a decline in soil C to N ratio. Extracellular enzyme allocation was commonly regarded as a proxy of the microbial biomass requirements, however, earthworms altered C- and N-degrading extracellular enzyme activities but have no effects on soil microbial biomass C:N ratio. Earthworms efficiently stimulated C- rather than N-degrading related enzymes in the presence of rich N litters, accelerating C metabolism and resulting in soil C pools loss and decline in soil C:N. In conclusion, earthworms significantly decreased soil C:N ratio when earthworms was unconstrained by soil N availability. Earthworm-driven reduction on soil C pools and relative N retention was linked to changes in the soil enzyme activities, highlighting the pivotal roles of soil microbial stoichiometry in regulating soil C and N dynamics.

  8. The Use of Asymptotic Functions for Determining Empirical Values of CN Parameter in Selected Catchments of Variable Land Cover

    Science.gov (United States)

    Wałęga, Andrzej; Młyński, Dariusz; Wachulec, Katarzyna

    2017-12-01

    The aim of the study was to assess the applicability of asymptotic functions for determining the value of CN parameter as a function of precipitation depth in mountain and upland catchments. The analyses were carried out in two catchments: the Rudawa, left tributary of the Vistula, and the Kamienica, right tributary of the Dunajec. The input material included data on precipitation and flows for a multi-year period 1980-2012, obtained from IMGW PIB in Warsaw. Two models were used to determine empirical values of CNobs parameter as a function of precipitation depth: standard Hawkins model and 2-CN model allowing for a heterogeneous nature of a catchment area. The study analyses confirmed that asymptotic functions properly described P-CNobs relationship for the entire range of precipitation variability. In the case of high rainfalls, CNobs remained above or below the commonly accepted average antecedent moisture conditions AMCII. The study calculations indicated that the runoff amount calculated according to the original SCS-CN method might be underestimated, and this could adversely affect the values of design flows required for the design of hydraulic engineering projects. In catchments with heterogeneous land cover, the results of CNobs were more accurate when 2-CN model was used instead of the standard Hawkins model. 2-CN model is more precise in accounting for differences in runoff formation depending on retention capacity of the substrate. It was also demonstrated that the commonly accepted initial abstraction coefficient λ = 0.20 yielded too big initial loss of precipitation in the analyzed catchments and, therefore, the computed direct runoff was underestimated. The best results were obtained for λ = 0.05.

  9. Solid state complex chemistry: formation, structure, and properties of homoleptic tetracyanamidogermanates RbRE[Ge(CN2)4] (RE = La, Pr, Nd, Gd).

    Science.gov (United States)

    Kalmutzki, Markus; Enseling, David; Wren, John E C; Kroeker, Scott; Terskikh, Victor V; Jüstel, Thomas; Meyer, H-Jürgen

    2013-11-04

    Tetracyanamidometallates with the general formula RbRE[T(CN2)4] (RE = La, Pr, Nd, Gd; T = Si, Ge) were prepared by solid state metathesis reactions starting from stoichiometric mixtures of RECl3, A2[TF6], and Li2(CN2). Reactions were studied by differential thermal analysis that showed ignition temperatures between 360 and 390 °C for the formation of RbGd[T(CN2)4] with T = Si and Ge. The powder diffraction patterns of RbRE[Ge(CN2)4] were indexed isotypically to the already known RbRE[Si(CN2)4] compound. IR spectra of RbLa[Ge(CN2)4] were measured and compared with those of RbLa[Si(CN2)4]. (73)Ge, (87)Rb, and (139)La solid state NMR measurements and density functional theory calculations were used to verify the novel homoleptic [Ge(CN2)4](4-) ion. Luminescence properties of Eu(3+), Ce(3+), and Tb(3+) doped samples are reported.

  10. Solvent-dependent formation of Os(0) complexes by electrochemical reduction of [Os(CO)(2,2'-bipyridine)(L)Cl2]; L = Cl(-), PrCN.

    Science.gov (United States)

    Tory, Joanne; King, Lisa; Maroulis, Antonios; Haukka, Matti; Calhorda, Maria José; Hartl, František

    2014-02-03

    Cyclic voltammetry and ultraviolet-visible/infrared (UV-vis/IR) spectroelectrochemistry were used to study the cathodic electrochemical behavior of the osmium complexes mer-[Os(III)(CO) (bpy)Cl3] (bpy = 2,2'-bipyridine) and trans(Cl)-[Os(II)(CO) (PrCN)(bpy)Cl2] at variable temperature in different solvents (tetrahydrofuran (THF), butyronitrile (PrCN), acetonitrile (MeCN)) and electrolytes (Bu4NPF6, Bu4NCl). The precursors can be reduced to mer-[Os(II)(CO) (bpy(•-))Cl3](2-) and trans(Cl)-[Os(II)(CO)(PrCN) (bpy(•-))Cl2](-), respectively, which react rapidly at room temperature, losing the chloride ligands and forming Os(0) species. mer-[Os(III)(CO) (bpy)Cl3] is reduced in THF to give ultimately an Os-Os-bonded polymer, probably [Os(0)(CO) (THF)(bpy)]n, whereas in PrCN the well-soluble, probably mononuclear [Os(0)(CO) (PrCN)(bpy)], species is formed. The same products were observed for the 2 electron reduction of trans(Cl)-[Os(II)(CO)(PrCN) (bpy)Cl2] in both solvents. In MeCN, similar to THF, the [Os(0)(CO) (MeCN)(bpy)]n polymer is produced. It is noteworthy that the bpy ligand in mononuclear [Os(0)(CO) (PrCN)(bpy)] is reduced to the corresponding radical anion at a significantly less negative potential than it is in polymeric [Os(0)(CO) (THF)(bpy)]n: ΔE1/2 = 0.67 V. Major differences also exist in the IR spectra of the Os(0) species: the polymer shows a broad ν(CO) band at much smaller wavenumbers compared to the soluble Os(0) monomer that exhibits a characteristic ν(Pr-CN) band below 2200 cm(-1) in addition to the intense and narrow ν(CO) absorption band. For the first time, in this work the M(0)-bpy (M = Ru, Os) mono- and dicarbonyl species soluble in PrCN have been formulated as a mononuclear complex. Density functional theory (DFT) and time-dependent-DFT calculations confirm the Os(0) oxidation state and suggest that [Os(0)(CO) (PrCN)(bpy)] is a square planar moiety. The reversible bpy-based reduction of [Os(0)(CO) (PrCN

  11. CN-Modified Host Materials for Improved Efficiency and Lifetime in Blue Phosphorescent and Thermally Activated Delayed Fluorescent Organic Light-Emitting Diodes.

    Science.gov (United States)

    Byeon, Sung Yong; Kim, Ji Han; Lee, Jun Yeob

    2017-04-19

    CN-modified host materials, 9-(2-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-carbazole-3-carbonitrile (o-CzCN) and 9-(3-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-carbazole-3-carbonitrile (m-CzCN), which can improve the external quantum efficiency and lifetime of both blue phosphorescent and thermally activated delayed fluorescent (TADF) emitters were developed. A molecular design approach to stabilize the molecular structure and reduce the energy gap produced two high triplet energy host materials of o-CzCN and m-CzCN compatible with the phosphorescent and TADF emitters. The new host materials lowered operation voltage, increased quantum efficiency, and elongated lifetime of both phosphorescent and TADF devices.

  12. Atoms in strong laser fields

    International Nuclear Information System (INIS)

    L'Huillier, A.

    2002-01-01

    When a high-power laser focuses into a gas of atoms, the electromagnetic field becomes of the same magnitude as the Coulomb field which binds a 1s electron in a hydrogen atom. 3 highly non-linear phenomena can happen: 1) ATI (above threshold ionization): electrons initially in the ground state absorb a large number of photons, many more than the minimum number required for ionization; 2) multiple ionization: many electrons can be emitted one at a time, in a sequential process, or simultaneously in a mechanism called direct or non-sequential; and 3) high order harmonic generation (HHG): efficient photon emission in the extreme ultraviolet range, in the form of high-order harmonics of the fundamental laser field can occur. The theoretical problem consists in solving the time dependent Schroedinger equation (TDSE) that describes the interaction of a many-electron atom with a laser field. A number of methods have been proposed to solve this problem in the case of a hydrogen atom or a single-active electron atom in a strong laser field. A large effort is presently being devoted to go beyond the single-active approximation. The understanding of the physics of the interaction between atoms and strong laser fields has been provided by a very simple model called ''simple man's theory''. A unified view of HHG, ATI, and non-sequential ionization, originating from the simple man's model and the strong field approximation, expressed in terms of electrons trajectories or quantum paths is slowly emerging. (A.C.)

  13. Strongly Interacting Light Dark Matter

    Directory of Open Access Journals (Sweden)

    Sebastian Bruggisser, Francesco Riva, Alfredo Urbano

    2017-09-01

    Full Text Available In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM can appear weakly coupled at small energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo Nambu-Goldstone Bosons and Goldstini are interesting targets for LHC missing-energy searches.

  14. Strongly interacting light dark matter

    International Nuclear Information System (INIS)

    Bruggisser, Sebastian; Riva, Francesco; Urbano, Alfredo

    2016-07-01

    In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM) can appear weakly coupled at small-energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo-Nambu-Goldstone Bosons and Goldstini) are interesting targets for LHC missing-energy searches.

  15. Rydberg atoms in strong fields

    International Nuclear Information System (INIS)

    Kleppner, D.; Tsimmerman, M.

    1985-01-01

    Experimental and theoretical achievements in studying Rydberg atoms in external fields are considered. Only static (or quasistatic) fields and ''one-electron'' atoms, i.e. atoms that are well described by one-electron states, are discussed. Mainly behaviour of alkali metal atoms in electric field is considered. The state of theoretical investigations for hydrogen atom in magnetic field is described, but experimental data for atoms of alkali metals are presented as an illustration. Results of the latest experimental and theoretical investigations into the structure of Rydberg atoms in strong fields are presented

  16. Scalar strong interaction hadron theory

    CERN Document Server

    Hoh, Fang Chao

    2015-01-01

    The scalar strong interaction hadron theory, SSI, is a first principles' and nonlocal theory at quantum mechanical level that provides an alternative to low energy QCD and Higgs related part of the standard model. The quark-quark interaction is scalar rather than color-vectorial. A set of equations of motion for mesons and another set for baryons have been constructed. This book provides an account of the present state of a theory supposedly still at its early stage of development. This work will facilitate researchers interested in entering into this field and serve as a basis for possible future development of this theory.

  17. 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.

  18. Towards TDDFT for Strongly Correlated Materials

    Directory of Open Access Journals (Sweden)

    Shree Ram Acharya

    2016-09-01

    Full Text Available We present some details of our recently-proposed Time-Dependent Density-Functional Theory (TDDFT for strongly-correlated materials in which the exchange-correlation (XC kernel is derived from the charge susceptibility obtained using Dynamical Mean-Field Theory (the TDDFT + DMFT approach. We proceed with deriving the expression for the XC kernel for the one-band Hubbard model by solving DMFT equations via two approaches, the Hirsch–Fye Quantum Monte Carlo (HF-QMC and an approximate low-cost perturbation theory approach, and demonstrate that the latter gives results that are comparable to the exact HF-QMC solution. Furthermore, through a variety of applications, we propose a simple analytical formula for the XC kernel. Additionally, we use the exact and approximate kernels to examine the nonhomogeneous ultrafast response of two systems: a one-band Hubbard model and a Mott insulator YTiO3. We show that the frequency dependence of the kernel, i.e., memory effects, is important for dynamics at the femtosecond timescale. We also conclude that strong correlations lead to the presence of beats in the time-dependent electric conductivity in YTiO3, a feature that could be tested experimentally and that could help validate the few approximations used in our formulation. We conclude by proposing an algorithm for the generalization of the theory to non-linear response.

  19. Pressure-Induced Enhanced Magnetic Anisotropy in Mn(N(CN)2)2

    Energy Technology Data Exchange (ETDEWEB)

    Quintero, P. A. [University of Florida, Gainesville; Rajan, D. [University of Florida, Gainesville; Peprah, M. K. [University of Florida, Gainesville; Brinzari, T. V. [University of Florida, Gainesville; Fishman, Randy Scott [ORNL; Talham, Daniel R. [University of Florida, Gainesville; Meisel, Mark W. [University of Florida, Gainesville

    2015-01-01

    Using DC and AC magnetometry, the pressure dependence of the magnetization of the threedimensional antiferromagnetic coordination polymer Mn(N(CN)2)2 was studied up to 12 kbar and down to 8 K. The magnetic transition temperature, Tc, increases dramatically with applied pressure (P), where a change from Tc(P = ambient) = 16:0 K to Tc(P = 12:1 kbar) = 23:5 K was observed. In addition, a marked difference in the magnetic behavior is observed above and below 7.1 kbar. Specifically, for P < 7:1 kbar, the differences between the field-cooled and zero-field-cooled (fc-zfc) magnetizations, the coercive field, and the remanent magnetization decrease with increasing pressure. However, for P > 7:1 kbar, the behavior is inverted. Additionally, for P > 8:6 kbar, minor hysteresis loops are observed. All of these effects are evidence of the increase of the superexchange interaction and the appearance of an enhanced exchange anisotropy with applied pressure.

  20. Investigation on spin-flip reaction of Re + CH3CN by relativistic density functional theory.

    Science.gov (United States)

    Xiao, Yi; Ji, Wen-Xin; Wei-Xu; Chen, Xian-Yang; Wang, Shu-Guang

    2014-07-07

    To explore the integrated reaction mechanisms for Re atom with acetonitrile theoretically, density functional theory with zero-order regular approximation (ZORA) relativistic corrections has been employed at the BP86/TZ2P level. There have been three adiabatic potential energy surfaces in the study along sextet, quartet and doublet spin states. However, the detailed minimum energy reaction pathway altogether contains six stationary states () to (), five transition states (), and two intersystem crossings with spin inversion (marked by ⇒): (6)Re + CH3CN → η(1)-ReNCCH3 () → ⇒ η(2)-Re(NC)CH3 () → → η(3)-HRe(NCCH2) () → → CH3-ReNC () → → CH2[double bond, length as m-dash]Re(H)NC () ⇒ → CH[triple bond, length as m-dash]Re(H)2NC (). Thereinto, the lowest energy crossing points (LECP) have been determined by the DFT fractional-occupation-number (FON) approach. The first spin inversion has transferred the potential energy surfaces from high-spin sextet to the quartet intermediate () with the subsequent C-C bond breakage. The second one from the quartet to the low-spin doublet state accompanies the C-H activation, decreasing the transition barrier by 157 kJ mol(-1). The overall reaction could be exothermic by about 210 kJ mol(-1). Harmonic vibration frequencies and NBO, WBO analysis are also applied to verified the experimental observed information.

  1. Surface Morphology and Hardness Analysis of TiCN Coated AA7075 Aluminium Alloy

    Science.gov (United States)

    Srinath, M. K.; Ganesha Prasad, M. S.

    2017-12-01

    Successful titanium carbonitride (TiCN) coating on AA7075 plates using the PVD technique depends upon many variables, including temperature, pressure, incident angle and energy of the reactive ions. Coated specimens have shown an increase in their surface hardness of 2.566 GPa. In this work, an attempt to further augment the surface hardness and understand its effects on the surface morphology was performed through heat treatments at 500°C for different duration of times. Specimen's heat treated at 500°C for 1 h exhibited a maximum surface hardness of 6.433 GPa, corresponding to an increase of 92.07%. The XRD results showed the presence of Al2Ti and AlTi3N and indicate the bond created between them. Unit cell lattice parameters in the XRD data are calculated using Bragg's law. The SEM images exhibit increasing crack sizes as the heat treatment time is increased. From the studies, the heat treatment duration can be optimized to 1 h, which exhibited an augmented surface hardness, as further increases in durations caused a drop in the surface hardness. The heat treatment effectively modified the surface hardness. Equations providing the relationships that temperature and time have with the reaction parameters are presented.

  2. Magnetocaloric effect in Mn2-pyrazole-[Nb(CN)8] molecular magnet by relaxation calorimetry

    Science.gov (United States)

    Pełka, R.; Gajewski, M.; Miyazaki, Y.; Yamashita, S.; Nakazawa, Y.; Fitta, M.; Pinkowicz, D.; Sieklucka, B.

    2016-12-01

    Magnetocaloric effect in {[Mn(pyrazole)4]2[Nb(CN)8]·4 H2O}n molecular magnet is reported. It crystallizes in tetragonal I41/a space group. The compound exhibits a phase transition to a long range magnetically ordered state at TN ≈ 22.8 K. Temperature dependences of the magnetic entropy change ΔSM as well as the adiabatic temperature change ΔTad due to applied field change μ0 ΔH in the range of 0.1-9 T have been inferred from the relaxation calorimetry measurements. A systematic approximate approach has been used to determine the lattice contribution to the heat capacity. The maximum value of ΔSM for μ0 ΔH = 5 T is 6.83 J mol-1 K-1 (6.65 J kg-1 K-1) at 24.3 K. The corresponding maximum value of ΔTad is 1.4 K at 23.8 K. The temperature dependence of the exponent n characterizing the field dependence of ΔSM has been estimated. It attains the value of 0.64 at the transition temperature, which is consistent with the 3D Heisenberg universality class. A hitherto unobserved two-peak structure has been revealed in the temperature dependence of ΔTad.

  3. EDITORIAL: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Ronning, Filip; Batista, Cristian

    2011-03-01

    Strongly correlated electrons is an exciting and diverse field in condensed matter physics. This special issue aims to capture some of that excitement and recent developments in the field. Given that this issue was inspired by the 2010 International Conference on Strongly Correlated Electron Systems (SCES 2010), we briefly give some history in order to place this issue in context. The 2010 International Conference on Strongly Correlated Electron Systems was held in Santa Fe, New Mexico, a reunion of sorts from the 1989 International Conference on the Physics of Highly Correlated Electron Systems that also convened in Santa Fe. SCES 2010—co-chaired by John Sarrao and Joe Thompson—followed the tradition of earlier conferences, in this century, hosted by Buzios (2008), Houston (2007), Vienna (2005), Karlsruhe (2004), Krakow (2002) and Ann Arbor (2001). Every three years since 1997, SCES has joined the International Conference on Magnetism (ICM), held in Recife (2000), Rome (2003), Kyoto (2006) and Karlsruhe (2009). Like its predecessors, SCES 2010 topics included strongly correlated f- and d-electron systems, heavy-fermion behaviors, quantum-phase transitions, non-Fermi liquid phenomena, unconventional superconductivity, and emergent states that arise from electronic correlations. Recent developments from studies of quantum magnetism and cold atoms complemented the traditional subjects and were included in SCES 2010. 2010 celebrated the 400th anniversary of Santa Fe as well as the birth of astronomy. So what's the connection to SCES? The Dutch invention of the first practical telescope and its use by Galileo in 1610 and subsequent years overturned dogma that the sun revolved about the earth. This revolutionary, and at the time heretical, conclusion required innovative combinations of new instrumentation, observation and mathematics. These same combinations are just as important 400 years later and are the foundation of scientific discoveries that were discussed

  4. Unsupervised Feature Subset Selection

    DEFF Research Database (Denmark)

    Søndberg-Madsen, Nicolaj; Thomsen, C.; Pena, Jose

    2003-01-01

    This paper studies filter and hybrid filter-wrapper feature subset selection for unsupervised learning (data clustering). We constrain the search for the best feature subset by scoring the dependence of every feature on the rest of the features, conjecturing that these scores discriminate some...... irrelevant features. We report experimental results on artificial and real data for unsupervised learning of naive Bayes models. Both the filter and hybrid approaches perform satisfactorily....

  5. Seasonal variations and vertical features of aerosol particles in the Antarctic troposphere

    Directory of Open Access Journals (Sweden)

    Keiichiro Hara

    2010-12-01

    Full Text Available Tethered balloon-borne aerosol measurements were carried out at Syowa Station, Antarctica during the 46th Japanese Antarctic Research Expedition. CN concentration had a maximum in the summer, whereas the number concentrations of fine particles (D_p>0.3 μm and coarse particles (D_p>2.0 μm increased during the winter-spring. The range of CN concentration was 30-2200 cm^ near the surface (surface-500 m and 7-7250 cm^ in the lower free troposphere (>1500 m. During the austral summer, higher CN concentration was often observed in the lower free troposphere. Frequent appearance of higher CN concentration in the free troposphere relative to the surface measurements strongly suggests that new particle formation in the Antarctic regions occurs in the lower free troposphere. Single particle analysis indicated that most of the aerosol particles during the winter were composed of Mg-enriched sea-salt particles originated from sea-salt fractionation on the sea-ice and their modified particles by NO_3^ and SO_4^. This suggests that sea-salt fractionation on sea-ice and modification of sea-salt particles were affected greatly by aerosol hygroscopicity during the winter. Antarctic haze layer was observed not only in the boundary layer but also in the lower free troposphere.

  6. Synthesis of (Cr,V){sub 2}(C,N) solid solution powders by thermal processing precursors

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Anrui [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China); Liu, Ying [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China); Key Laboratory of Advanced Special Material & Technology, Ministry of Education, Chengdu, 610065 (China); Ma, Shiqing; Qiu, Yuchong; Rong, Pengcheng; Ye, Jinwen [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China)

    2017-06-01

    The single-phase (Cr,V){sub 2}(C,N) solid solution powders were fabricated via carbothermal reduction-nitridation (CRN) processing technique. The effects of heat treatment temperature, nitrogen pressure and carbon proportion were experimentally studied in detail by X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and thermal analysis. The chemical transformations of vanadium and chromium compounds were as follows: precursors → V{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} → Cr{sub 3}C{sub 2}, Cr{sub 2}O{sub 3}, (Cr,V){sub 2}(C,N) → (Cr,V){sub 2}(C,N). When the heat-treated temperature was below 1200 °C, chromium oxides didn’t completely react. However, higher temperature ∼1300 °C could not only lead to the segregation of some nitrides and carbon black, but also to the occurrence of fiber-bridged particles. The system nitrogen pressure over 0.03 MPa would cause a subtle transformation of (Cr,V){sub 2}(C,N) to VCrN{sub 2}. When the carbon proportion was below 15 wt%, the oxides could not be completely reduced, while when the carbon proportion was above 15.5 wt%, some undesired carbides, like Cr{sub 23}C{sub 6} and Cr{sub 3}C{sub 2}, would form. Ultimately, the homogeneously distributed pure-phase (Cr,V){sub 2}(C,N) spherical particles with the average size of ∼1.5 μm were obtained at the optimal conditions of the treatment of precursors at 1200 °C for 1 h with the nitrogen pressure of 0.03 MPa and carbon content of 15.5 wt%. The chemical composition of the solid solution with the optimal process could be drawn as (Cr{sub 0.85}V{sub 0.15}){sub 2}(C{sub 0.57}N{sub 0.43}). Thermal processing precursors method shows the advantages of lower synthesis temperature, shorter period and finer particles when comparing with the conventional preparations. - Highlights: • Single phase of (Cr,V){sub 2}(C,N) powders were synthesized for the first time. • Precursors were used to prepared the powders by carbothermal

  7. Physics of Strongly Coupled Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Kraeft, Wolf-Dietrich [Universitat Rostock (Germany)

    2007-07-15

    Strongly coupled plasmas (or non-ideal plasmas) are multi-component charged many-particle systems, in which the mean value of the potential energy of the system is of the same order as or even higher than the mean value of the kinetic energy. The constituents are electrons, ions, atoms and molecules. Dusty (or complex) plasmas contain still mesoscopic (multiply charged) particles. In such systems, the effects of strong coupling (non-ideality) lead to considerable deviations of physical properties from the corresponding properties of ideal plasmas, i.e., of plasmas in which the mean kinetic energy is essentially larger than the mean potential energy. For instance, bound state energies become density dependent and vanish at higher densities (Mott effect) due to the interaction of the pair with the surrounding particles. Non-ideal plasmas are of interest both for general scientific reasons (including, for example, astrophysical questions), and for technical applications such as inertially confined fusion. In spite of great efforts both experimentally and theoretically, satisfactory information on the physical properties of strongly coupled plasmas is not at hand for any temperature and density. For example, the theoretical description of non-ideal plasmas is possible only at low densities/high temperatures and at extremely high densities (high degeneracy). For intermediate degeneracy, however, numerical experiments have to fill the gap. Experiments are difficult in the region of 'warm dense matter'. The monograph tries to present the state of the art concerning both theoretical and experimental attempts. It mainly includes results of the work performed in famous Russian laboratories in recent decades. After outlining basic concepts (chapter 1), the generation of plasmas is considered (chapter 2, chapter 3). Questions of partial (chapter 4) and full ionization (chapter 5) are discussed including Mott transition and Wigner crystallization. Electrical and

  8. Exact estimation of biodiesel cetane number (CN) from its fatty acid methyl esters (FAMEs) profile using partial least square (PLS) adapted by artificial neural network (ANN)

    International Nuclear Information System (INIS)

    Hosseinpour, Soleiman; Aghbashlo, Mortaza; Tabatabaei, Meisam; Khalife, Esmail

    2016-01-01

    Highlights: • Estimating the biodiesel CN from its FAMEs profile using ANN-based PLS approach. • Comparing the capability of ANN-adapted PLS approach with the standard PLS model. • Exact prediction of biodiesel CN from it FAMEs profile using ANN-based PLS method. • Developing an easy-to-use software using ANN-PLS model for computing the biodiesel CN. - Abstract: Cetane number (CN) is among the most important properties of biodiesel because it quantifies combustion speed or in better words, ignition quality. Experimental measurement of biodiesel CN is rather laborious and expensive. However, the high proportionality of biodiesel fatty acid methyl esters (FAMEs) profile with its CN is very appealing to develop straightforward and inexpensive computerized tools for biodiesel CN estimation. Unfortunately, correlating the chemical structure of biodiesel to its CN using conventional statistical and mathematical approaches is very difficult. To solve this issue, partial least square (PLS) adapted by artificial neural network (ANN) was introduced and examined herein as an innovative approach for the exact estimation of biodiesel CN from its FAMEs profile. In the proposed approach, ANN paradigm was used for modeling the inner relation between the input and the output PLS score vectors. In addition, the capability of the developed method in predicting the biodiesel CN was compared with the basal PLS method. The accuracy of the developed approaches for computing the biodiesel CN was assessed using three statistical criteria, i.e., coefficient of determination (R 2 ), mean-squared error (MSE), and percentage error (PE). The ANN-adapted PLS method predicted the biodiesel CN with an R 2 value higher than 0.99 demonstrating the fidelity of the developed model over the classical PLS method with a markedly lower R 2 value of about 0.85. In order to facilitate the use of the proposed model, an easy-to-use computer program was also developed on the basis of ANN-adapted PLS

  9. Depicting and Researching Disciplines: Strong and Moderate Essentialist Approaches

    Science.gov (United States)

    Trowler, Paul

    2014-01-01

    This paper considers how the idea of "discipline" can best be conceptualised, both in general and particular terms. Much previous research has employed a strong essentialist approach, a model of disciplines which exaggerates the homogeneity of specific disciplinary features and accords disciplines generative powers which they rarely…

  10. Stochastic finite-fault modelling of strong earthquakes in Narmada ...

    Indian Academy of Sciences (India)

    Stochastic finite fault modelling of strong earthquakes. 839. 1983). It has been widely used to predict the ground motion around the globe where earthquake recordings are scanty. The conventional point source approximation is unable to characterize key features of ground motions from large earthquakes, such as their ...

  11. Observation of the long-lived triplet excited state of perylenebisimide (PBI) in C^N cyclometalated Ir(III) complexes and application in photocatalytic oxidation.

    Science.gov (United States)

    Sun, Jifu; Zhong, Fangfang; Zhao, Jianzhang

    2013-07-14

    Perylenebisimide (PBI) was used to prepare C^N cyclometalated Ir(III) complexes that show strong absorption of visible light and it is the first time the long-lived triplet excited state of PBI chromophore was observed in a transition metal complex (τT = 22.3 μs). Previously, the lifetime of the triplet state of PBI in transition metal complexes was usually shorter than 1.0 μs. Long-lived triplet excited states are useful for applications in photocatalysis or other photophysical processes concerning triplet-triplet-energy-transfer. PBI and amino-PBI were used for preparation of cyclometalated Ir(III) complexes (Ir-2 and Ir-3), in which the PBI chromophore was connected to the coordination center via C≡C π-conjugation bond. The new complexes show strong absorption in visible region (ε = 34,200 M(-1) cm(-1) at 541 nm for Ir-2, and ε = 19,000 at 669 nm for Ir-3), compared to the model complex Ir(ppy)(bpy)[PF6] Ir-1 (ε PBI-localized long-lived (3)IL states were populated for Ir-2 and Ir-3 upon photoexcitation. The complexes were used as triplet photosensitizers for (1)O2-mediated photooxidation of 1,5-dihydronaphthalene to produce juglone, an important intermediate for preparation of anti-cancer compounds. (1)O2 quantum yields (Φ(Δ)) up to 91% were observed for the new Ir(III) complexes and the overall photosensitizing ability is much higher than the conventional Ir(III) complex Ir-1, which shows the typical weak visible light absorption in visible region. Our results are useful for preparation of transition metal complexes that show strong absorption of visible light and long-lived triplet excited state and for the application of these complexes in photocatalysis.

  12. Strongly coupled dust coulomb clusters

    International Nuclear Information System (INIS)

    Juan Wentau; Lai Yingju; Chen Mingheng; I Lin

    1999-01-01

    The structures and motions of quasi-2-dimensional strongly coupled dust Coulomb clusters with particle number N from few to hundreds in a cylindrical rf plasma trap are studied and compared with the results from the molecular dynamic simulation using more ideal models. Shell structures with periodic packing in different shells and intershell rotational motion dominated excitations are observed at small N. As N increases, the boundary has less effect, the system recovers to the triangular lattice with isotropic vortex type cooperative excitations similar to an infinite N system except the outer shell region. The above generic behaviors are mainly determined by the system symmetry and agree with the simulation results. The detailed interaction form causes minor effect such as the fine structure of packing

  13. Probability densities in strong turbulence

    Science.gov (United States)

    Yakhot, Victor

    2006-03-01

    In this work we, using Mellin’s transform combined with the Gaussian large-scale boundary condition, calculate probability densities (PDFs) of velocity increments P(δu,r), velocity derivatives P(u,r) and the PDF of the fluctuating dissipation scales Q(η,Re), where Re is the large-scale Reynolds number. The resulting expressions strongly deviate from the Log-normal PDF P(δu,r) often quoted in the literature. It is shown that the probability density of the small-scale velocity fluctuations includes information about the large (integral) scale dynamics which is responsible for the deviation of P(δu,r) from P(δu,r). An expression for the function D(h) of the multifractal theory, free from spurious logarithms recently discussed in [U. Frisch, M. Martins Afonso, A. Mazzino, V. Yakhot, J. Fluid Mech. 542 (2005) 97] is also obtained.

  14. The Conformer Specific Rotational Spectrum of 3-PHENYLPROPIONITRILE Utilizing Strong Field Coherence Breaking

    Science.gov (United States)

    Fritz, Sean; Hernandez-Castillo, Alicia O.; Abeysekera, Chamara; Zwier, Timothy S.

    2017-06-01

    The 8-18 GHz conformer specific rotational spectrum of gauche- and anti-3-phenylpropionitrile (C6H5-CH2-CH2-CN) conformers has been recorded using the strong field coherence breaking (SFCB) technique [1] with a modified line picking scheme for multiple selective excitations (MSE). As the recombination product of benzyl and cyanomethyl resonance-stabilized radicals, 3-phenylpropionitrile is a likely component of the complex organics in Titan's atmosphere, motivating its structural characterization. Details of the modified line picking scheme, hyperfine constants and relative population ratios of the two conformers will be presented. [1] A.O Hernandez-Castillo, Chamara Abeysekera, Brian M. Hays, Timothy S. Zwier, "Broadband Multi-Resonant Strong Field Coherence Breaking as a Tool for Single Isomer Microwave Spectroscopy." J. Chem. Phys. 145, 114203 (2016).

  15. X-ray diffraction and electronic band structure study of the organic superconductor ϰ-(ET) 2Cu[N(CN) 2

    Science.gov (United States)

    Schultz, Arthur J.; Wang, Hau H.; Williams, Jack M.; Finger, Larry W.; Hazen, Robert M.; Rovira, Carme; Whangbo, Myung-Hwan

    1994-12-01

    The previously observed pressure-induced amorphization transition at 11 kbar [A.J. Schultz, U. Geiser, H.H. Wang, J.M. Williams, L.W. Finger and B.M. Hazen, Physica C 208 (1993) 277] was avoided and single-crystal X-ray data up to 28 kbar were obtained by replacing mineral oil with a hydrostatic alcohol mixture as the pressure medium in diamond anvil cell. The linear compressibilities of the crystallographic axes are remarkably isotropic given the two-dimensional nature of the structure. A full structure determination was performed at room temperature and 28 kbar with the use of X-ray data. It is noteworthy that, a novel structure feature, short interlayer H…H contacts through a hole in the anion layer, may account for the isotropic compressibilities. Electronic band structures calculated for the crystal structures of κ-(ET) 2Cu[N(CN) 2]Cl at 1 bar, 3 kbar and 28 kbar show that this salt is a two-dimensional metal, and that the density of states at the Fermi level decreases gradually with increasing pressure.

  16. Post-transition state dynamics and product energy partitioning following thermal excitation of the F∙∙∙HCH2 CN transition state: Disagreement with experiment

    Energy Technology Data Exchange (ETDEWEB)

    Pratihar, Subha [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ma, Xinyou [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Xie, Jing [Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA; Scott, Rebecca [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Gao, Eric [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ruscic, Branko [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA; Aquino, Adelia J. A. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, People’s Republic of China; Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Setser, Donald W. [Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Hase, William L. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA

    2017-10-14

    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. In accord with experiment 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 for the simulation. 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, with the majority involving direct dissociation 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. From the simulations and with an anharmonic zero-point energy constraint, the percentage partitioning of the product energy to relative translation, HF rotation, HF vibration, CH2CN rotation and CH2CN vibration is 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

  17. Influence of high temperature annealing on the structure, hardness and tribological properties of diamond-like carbon and TiAlSiCN nanocomposite coatings

    International Nuclear Information System (INIS)

    Xie, Z.W.; Wang, L.P.; Wang, X.F.; Huang, L.; Lu, Y.; Yan, J.C.

    2011-01-01

    Diamond-like carbon (DLC) and TiAlSiCN nanocomposite coatings were synthesized and annealed at different temperatures in a vacuum environment. The microstructure, hardness and tribological properties of as-deposited and annealed DLC-TiAlSiCN nanocomposite coatings were characterized by X-ray diffraction, X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), Raman spectroscopy, nano-indentation and friction tests. The TEM results reveal that the as-deposited DLC-TiAlSiCN coating has a unique nanocomposite structure consisting of TiCN nanocrystals embedded in an amorphous matrix consisting of a-Si 3 N 4 , a-SiC, a-CN and DLC, and the structure changed little after annealing at 800 °C. However, XPS and Raman results show that an obvious graphitization of the DLC phase occurred during the annealing process and it worsened with annealing temperature. Because of the graphitization, the hardness of the DLC-TiAlSiCN coating after annealing at 800 °C decreased from 45 to 36 GPa. In addition, the DLC-TiAlSiCN coating after annealing at 800 °C has a similar friction coefficient to the as-deposited coating.

  18. High-field EPR study of a ReCl4(CN)2 molecular magnet building block

    Science.gov (United States)

    Liu, Junjie; Harris, T. David; Long, Jeffrey; Hill, Stephen

    2011-03-01

    Slow magnetic relaxation has been observed in the single-chain magnet (DMF)4 MReCl 4 (CN)2 (M = Mn, Fe, Co, Ni) [D. Harris et al., J. Am. Chem. Soc. 132, 3980 (2010)]. The ReCl 4 (CN)2 (1) molecule has been synthesized in which the local environment of the Re IV ion is same as in the single-chain magnet. Electron Paramagnetic Resonance (EPR) measurements have been performed on single crystal of complex 1 to determine the magnetic anisotropy of the Re IV ions. Both intra and inter Kramer's doublet transitions are observed in high-field (up to 36T) EPR experiments. The data indicate a significant axial anisotropy of the easy-plane type (D> 0) , withsizeablerhombic E term. In light of these findings, we are developing a theoretical model to account for the slow relaxation in the single-chain magnet.

  19. Property of cn-n-barc-bar system in U-tilde(12)-scheme and X(3872)/Y(3940)

    Energy Technology Data Exchange (ETDEWEB)

    Ishida, Muneyuki [Meisei University, Hino, Tokyo (Japan). Dept. of Physics

    2005-07-01

    The properties of four quark cn-n-barc-bar states are investigated as cn di-quark and n-barc-bar di-antiquark system in U-tilde(12)-classification scheme of hadrons. We consider the negative-parity di-quark and di-antiquark in ground states, and the properties of X(3872) and Y(3940) are consistent, respectively, with those of the J{sup PC} = 1{sup ++} and 2{sup ++} states from these negative-parity di-quark and di-antiquark. Their narrow-widths are explained from a kind of conservation law, called {rho}{sub 3}-line rule. The properties of ground-state cs-s-barc-bar system are also predicted in this scheme. (author)

  20. The impact of dust on sulfate aerosol, CN and CCN during an East Asian dust storm

    Directory of Open Access Journals (Sweden)

    P. T. Manktelow

    2010-01-01

    Full Text Available A global model of aerosol microphysics is used to simulate a large East Asian dust storm during the ACE-Asia experiment. We use the model together with size resolved measurements of aerosol number concentration and composition to examine how dust modified the production of sulfate aerosol and the particle size distribution in East Asian outflow. Simulated size distributions and mass concentrations of dust, sub- and super-micron sulfate agree well with observations from the C-130 aircraft. Modeled mass concentrations of fine sulfate (Dp<1.3 μm decrease by ~10% due to uptake of sulfur species onto super-micron dust. We estimate that dust enhanced the mass concentration of coarse sulfate (Dp>1.0 μm by more than an order of magnitude, but total sulfate concentrations increase by less than 2% because decreases in fine sulfate have a compensating effect. Our analysis shows that the sulfate associated with dust can be explained largely by the uptake of H2SO4 rather than reaction of SO2 on the dust surface, which we assume is suppressed once the particles are coated in sulfate. We suggest that many previous model investigations significantly overestimated SO2 oxidation on East Asian dust, possibly due to the neglect of surface saturation effects. We extend previous model experiments by examining how dust modified existing particle concentrations in Asian outflow. Total particle concentrations (condensation nuclei, CN modeled in the dust-pollution plume are reduced by up to 20%, but we predict that dust led to less than 10% depletion in particles large enough to act as cloud condensation nuclei (CCN. Our analysis suggests that E. Asian dust storms have only a minor impact on sulfate particles present at climate-relevant sizes.

  1. Effects of Land Use Change on C-N cycling: Microbes Matter.

    Science.gov (United States)

    Hofmockel, K.

    2012-12-01

    Large swaths of the terrestrial landscape have been altered by human actions on Earth's biophysical systems, resulting in the homogenization of Earth's biota, while simultaneously increasing greenhouse gases and reactive nitrogen (N). This is especially poignant in grasslands that have been largely replaced by managed agricultural systems with substantial N inputs, or by unmanaged grasslands that are dominated by exotic species. Impacted ecosystems may be important for global C models, because they comprise a major portion of the global land area, terrestrial NPP and the world's soil C stocks. This research investigates how anthropogenic changes in plant community composition and agricultural management systems influence the composition and function of microbial communities that mediate key aspects of belowground C and N cycling and storage. Data from agroecology and grassland climate change experiments are used to illustrate how microbial responses can have important implications for large scale coupling of C and N cycles. In this study exotic plant species significantly decreased root inputs, causing shifts in microbial community composition, including both specific taxa and functional guilds of bacteria. By contrast, climate change (precipitation manipulation) caused functional responses (increased carbon and phosphorus cycling) that were not detected in the microbial community composition. Mycorrhizal fungi in managed systems were responsive to both root biomass and nitrogen inputs, significantly altering hydrolytic enzyme activity and aggregate turnover. Collectively small-scale processes can alter the ecosystem biogeochemical cycles. Together theses results suggest that linking microbial communities to coupled C-N cycles may have important implications for terrestrial C cycling feedbacks that are an integral part of the anthropocene era.

  2. Characterization of laboratory and industrial CrN/CrCN/diamond-like carbon coatings

    Energy Technology Data Exchange (ETDEWEB)

    Silva, F.J.G., E-mail: francisco.silva@eu.ipp.pt [Departamento de Engenharia Mecânica do Instituto Superior de Engenharia do Porto do Instituto Politécnico do Porto, Rua Dr. António Bernardino de Almeida, 431, 4200-072 Porto (Portugal); Martinho, R.P. [Departamento de Engenharia da Escola Superior de Estudos Industriais e de Gestão do Instituto Politécnico do Porto, Rua D. Sancho I, 981, 4480-876 Vila do Conde (Portugal); Baptista, A.P.M. [Departamento de Engenharia Mecânica da Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, s/n, 4200-465 Porto (Portugal)

    2014-01-01

    This work reports on laboratorial and experimental wear behaviour studies about a multi-layered film deposited by PVD (Physical Vapour Deposition) unbalanced magnetron sputtering. The film consists of three different layers: CrN in the bottom, CrCN as intermediate layer and DLC (diamond-like carbon) on the top. Film characterization was done using techniques such as Scanning Electron Microscopy, Energy Dispersive X-ray Spectroscopy, Atomic Force Microscopy and X-ray diffraction. Scratch-tests, nanoindentation analysis and ball-cratering wear tests were used in order to measure the adhesion critical load, hardness and wear coefficient, respectively. Experimental tests were developed letting one to realise the suitability of this film for mould cavities used on injection moulding machines that produce automotive parts in polypropylene reinforced with 30% (wt.) glass fibres, because this composite material performs severe abrasion on injection moulding which brings important challenges to surface wear resistance. Experimental tests revealed that, after 135,000 injection cycles, multi-layer coating improved significantly the performance previously revealed by uncoated samples. The good results achieved by this film can be partially assigned to DLC top layer due to its low friction coefficient. This paper discusses these results, comparing them with some other PVD coatings already tested in the same conditions. - Highlights: • This coating presents a very good adhesion to the P20 steel substrate. • Surface wear performance is largely improved by the use of this coating. • Coating wear resistance is about 58.2 times higher than the uncoated substrate. • This film presents high suitability for application in mould cavities.

  3. Effect of nano-CeO2 on microstructure properties of TiC/TiN+TiCN ...

    Indian Academy of Sciences (India)

    TiC/TiN+TiCN-reinforced composite coatings were fabricated on Ti–6Al–4V alloy by laser cladding, ... Ce was able to refine the microstructure of laser-cladded .... According to the report by Tian et al. (2006), during the cladding process, a portion of CeO2 was decomposed as follows: CeO2 →Ce + O2 ↑. (2). Then, Ce was ...

  4. Analisa Kadar Total Suspended Solid (Tss), Amoniak (Nh3), Sianida (Cn-) Dan Sulfida (S2-) Pada Limbah Cair Bapedaldasu

    OpenAIRE

    Margareth Elisa Karina Purba

    2009-01-01

    Telah dilakukan analisa kadar Total Suspended Solid (TSS), Amoniak (NH3), Sianida (CN-) dan Sulfida (S2-) dari limbah cair laboratorium BAPEDALDASU. Pemeriksaan kadar Total Suspended Solid, Amoniak, Sianida dan Sulfida dilakukan dengan Spektrophotometer Portable. Dimana panjang gelombang untuk Total Suspended Solid 810 nm, panjang gelombang untuk Amoniak 655 nm, panjang gelombang untuk Sianida 612 nm dan panjang gelombang untuk Sulfida 665 nm. Analisa terhadap limbah cair berdasarkan atas p...

  5. The Effects of Fiddler Crabs (Uca sp on C/N Ratio and Redox Potential of Soil in Mangrove Ecosystems

    Directory of Open Access Journals (Sweden)

    Mulyanto Mulyanto

    2017-08-01

    Full Text Available Research has been done in Ketapang mangrove area of  Probolinggo city in months of September-November 2015. The objectives are to observe the fiddler crab community stucture and to analyze the effects of fiddler crabs on C/N ratio and redox potential of soil in mangrove ecosystems. The samples of fiddler crabs were taken during the low tides at 4 station (20 transects with sizes of 1 m2. Data of the fiddler crabs were measured from the soil digging insides the transect. The soil samples were taken from these crab holes wall (at the surface and at the depth of 20 cm, under the holes at the depth of 40 cm as well as from the locations that undwells by these animals at the same depth. The fiddler crab identified are U. Triangularis between 2 – 6 ind/m2, U paradussumieri 1 – 3 ind/m2, U perplexa 14 – 32 ind/m2, U dussumieri 12 – 27 ind/m2 and U. Tetragonon 3 – 6 ind/m2. The diversity is moderate (H = 1.7 and the dominance index was low (C = 0.37. C/N ratio soil were inhabited by fiddler crab between 6 – 14, the undwelled area were 14 – 20. Soil C/N ratio was inhabited by the fiddler crab at the surface and depth of 20 cm in average of 9 cm while at 40 cm in avergae of 12. The low of C/N ratio at surface and depth of 20 cm causing the organic matter turnover faster because the high nitorgen content. Soil potential redox (Eh the undwelled areas was found –0.647 mV, meanwhile the soil Eh in the dwelled areas was positive (0.68 till 0.87 mV. This mean, the decpmposition was occured during aerobic condition and will produce untoxic subtances.

  6. Superconductivity of k-(BEDT-TTF) sub 2 Cu[N(CN) sub 2]I under pressure

    CERN Document Server

    Kushch, N D; Yagubskii, E B; Ishiguro, T

    2001-01-01

    The insulating state of k-(BEDT-TTF) sub 2 Cu[N(CN) sub 2]I salt appearing at ambient pressure at low temperatures is suppressed by hydrostatic pressure. The resistive measurement showed that in high-quality crystals the emerging metallic state reveals superconductivity. The superconducting state with the transition temperature of about 8 K is stable at pressures higher than 0.1 GPa

  7. Strong Ideal Convergence in Probabilistic Metric Spaces

    Indian Academy of Sciences (India)

    In the present paper we introduce the concepts of strongly ideal convergent sequence and strong ideal Cauchy sequence in a probabilistic metric (PM) space endowed with the strong topology, and establish some basic facts. Next, we define the strong ideal limit points and the strong ideal cluster points of a sequence in this ...

  8. Strong ideal convergence in probabilistic metric spaces

    Indian Academy of Sciences (India)

    In the present paper we introduce the concepts of strongly ideal convergent sequence and strong ideal Cauchy sequence in a probabilistic metric (PM) space endowed with the strong topology, and establish some basic facts. Next, we define the strong ideal limit points and the strong ideal cluster points of a sequence in this ...

  9. Remnants of strong tidal interactions

    International Nuclear Information System (INIS)

    Mcglynn, T.A.

    1990-01-01

    This paper examines the properties of stellar systems that have recently undergone a strong tidal shock, i.e., a shock which removes a significant fraction of the particles in the system, and where the shocked system has a much smaller mass than the producer of the tidal field. N-body calculations of King models shocked in a variety of ways are performed, and the consequences of the shocks are investigated. The results confirm the prediction of Jaffe for shocked systems. Several models are also run where the tidal forces on the system are constant, simulating a circular orbit around a primary, and the development of tidal radii under these static conditions appears to be a mild process which does not dramatically affect material that is not stripped. The tidal radii are about twice as large as classical formulas would predict. Remnant density profiles are compared with a sample of elliptical galaxies, and the implications of the results for the development of stellar populations and galaxies are considered. 38 refs

  10. John Strong - 1941-2006

    CERN Document Server

    2006-01-01

    Our friend and colleague John Strong was cruelly taken from us by a brain tumour on 31 July, a few days before his 65th birthday. John started his career and obtained his PhD in a group from Westfield College, initially working on experiments at Rutherford Appleton Laboratory (RAL). From the early 1970s onwards, however, his research was focused on experiments in CERN, with several particularly notable contributions. The Omega spectrometer adopted a system John had originally developed for experiments at RAL using vidicon cameras (a type of television camera) to record the sparks in the spark chambers. This highly automated system allowed Omega to be used in a similar way to bubble chambers. He contributed to the success of NA1 and NA7, where he became heavily involved in the electronic trigger systems. In these experiments the Westfield group joined forces with Italian colleagues to measure the form factors of the pion and the kaon, and the lifetime of some of the newly discovered charm particles. Such h...

  11. Strong seismic ground motion propagation

    International Nuclear Information System (INIS)

    Seale, S.; Archuleta, R.; Pecker, A.; Bouchon, M.; Mohammadioun, G.; Murphy, A.; Mohammadioun, B.

    1988-10-01

    At the McGee Creek, California, site, 3-component strong-motion accelerometers are located at depths of 166 m, 35 m and 0 m. The surface material is glacial moraine, to a depth of 30.5 m, overlying homfels. Accelerations were recorded from two California earthquakes: Round Valley, M L 5.8, November 23, 1984, 18:08 UTC and Chalfant Valley, M L 6.4, July 21, 1986, 14:42 UTC. By separating out the SH components of acceleration, we were able to determine the orientations of the downhole instruments. By separating out the SV component of acceleration, we were able to determine the approximate angle of incidence of the signal at 166 m. A constant phase velocity Haskell-Thomson model was applied to generate synthetic SH seismograms at the surface using the accelerations recorded at 166 m. In the frequency band 0.0 - 10.0 Hz, we compared the filtered synthetic records to the filtered surface data. The onset of the SH pulse is clearly seen, as are the reflections from the interface at 30.5 m. The synthetic record closely matches the data in amplitude and phase. The fit between the synthetic accelerogram and the data shows that the seismic amplification at the surface is a result of the contrast of the impedances (shear stiffnesses) of the near surface materials

  12. Characterization of the corrosion behavior of an austenitic stainless steel for biomedical applications coated with Ti N, Ti CN And DLC PVD coatings

    International Nuclear Information System (INIS)

    Antunes, Renato Altobelli

    2006-01-01

    Metallic biomaterials must present a combination of properties such as corrosion resistance, biocompatibility and mechanical resistance. Austenitic stainless steels, especially AISI 316L combine these properties with the easy of fabrication at low cost. However, they are prone to corrosion in physiological solutions. Furthermore, their corrosion products may lead to infectious ou allergenic reactions in the tissues around the implant device. In the present work, coatings produced by physical vapour deposition (PVD) methods have been applied on the surface of a 316L stainless steel to increase its corrosion resistance and biocompatibility. Three thin films were tested: titanium nitride (TiN), titanium carbonitride (TiCN) and diamond-like carbon (DLC). These materials present high hardness, wear resistance and intrinsic biocompatibility that are key features when considering biomedical applications. The characterization of the electrochemical behavior of the stainless steel coated with the three different films showed that the presence of surface defects are deleterious to the corrosion resistance of the substrate. These defects were observed using scanning electron microscopy. The evolution of the electrochemical behavior of the coated steel was explained through a mechanism based on the experimental results obtained using electrochemical impedance spectroscopy. Two different passivation treatments were carried out on the stainless steel surface, either in sulfuric or nitric acid solutions, to increase its corrosion resistance. The results suggested que these treatments were not efficient, but may be modified to improve its performance. The electronic properties of the passive films of the non-passivated and passivated stainless steel were studied using the Mott-Schottky approach. The films presented a duplex character. Below the flat band potential the behavior is typical of a highly doped type-p semiconductor. Above the flat band potential is typical of a highly

  13. Feature Selection by Reordering

    Czech Academy of Sciences Publication Activity Database

    Jiřina, Marcel; Jiřina jr., M.

    2005-01-01

    Roč. 2, č. 1 (2005), s. 155-161 ISSN 1738-6438 Institutional research plan: CEZ:AV0Z10300504 Keywords : feature selection * data reduction * ordering of features Subject RIV: BA - General Mathematics

  14. Satellite-derived land covers for runoff estimation using SCS-CN method in Chen-You-Lan Watershed, Taiwan

    Science.gov (United States)

    Zhang, Wen-Yan; Lin, Chao-Yuan

    2017-04-01

    The Soil Conservation Service Curve Number (SCS-CN) method, which was originally developed by the USDA Natural Resources Conservation Service, is widely used to estimate direct runoff volume from rainfall. The runoff Curve Number (CN) parameter is based on the hydrologic soil group and land use factors. In Taiwan, the national land use maps were interpreted from aerial photos in 1995 and 2008. Rapid updating of post-disaster land use map is limited due to the high cost of production, so the classification of satellite images is the alternative method to obtain the land use map. In this study, Normalized Difference Vegetation Index (NDVI) in Chen-You-Lan Watershed was derived from dry and wet season of Landsat imageries during 2003 - 2008. Land covers were interpreted from mean value and standard deviation of NDVI and were categorized into 4 groups i.e. forest, grassland, agriculture and bare land. Then, the runoff volume of typhoon events during 2005 - 2009 were estimated using SCS-CN method and verified with the measured runoff data. The result showed that the model efficiency coefficient is 90.77%. Therefore, estimating runoff by using the land cover map classified from satellite images is practicable.

  15. Using DayCENT and CN-CLASS to simulate carbon dynamics in C3 and C4 agricultural crop

    Science.gov (United States)

    Chang, K.; Warland, J. S.; Bartlett, P. A.; Arain, M. A.; Voroney, P.; Wagner-Riddle, C.

    2009-12-01

    This study validated and compared the modeling mechanism of carbon fixation in two different models: DayCENT(daily time-step of agroecosystem model) and CN-CLASS(half-hourly time-step of Carbon and Nitrogen coupled Canadian Land Surface Scheme for GCMS) in a corn(2005) and soybean(2006) year in southern Ontario, Canada. The purpose of this study was to evaluate the sensitivity of modeling parameters that related to carbon fixation and further to examine the relationship of carbon dynamics and environmental factors. We validated two models with field measurements of soil water content, soil temperature, latent heat and sensible heat. In addition, above-ground biomass measurements and leaf area index inventory data were used to ensure the modeling carbon allocation for the plant structure. The two different photosynthesis-stomatal conductance subroutines: Collatz's and Bonan's in CN-CLASS were also evaluated with field measurements. Our simulations suggests that both models had a general good control on environmental factors and carbon dynamics. Our sensitivity analysis indicated that further modification of leaf area index, specific leaf area, Q10 and base rate for the various respiration subroutines in CN-CLASS are required.

  16. Exploration for the stabilities of CHN7 and CN7-: A theoretical study on the formation and dissociation mechanisms

    Science.gov (United States)

    Yu, Tao; Liu, Ying-Zhe; Lai, Wei-Peng

    2018-03-01

    CHN7 and CN7- are meta-stable species. In order to study on the relationship between thermodynamic and kinetic stabilities, the potential energy surfaces of CHN7 and CN7- were scanned at the B3LYP/aug-cc-pVDZ level. After the analysis of potential energy surfaces, the optimum pathways were got to conclude the dissociation and formation mechanisms. The dissociation barriers of 5-azido-1H-tetrazole and 5-azido-2H-tetrazole are about 150 kJ mol-1. They are sufficient to keep the two azidotetrazoles stable. The reaction between cyanogen azide and azide anion cannot produce azidotetrazolate anion, but produce the linear CN7- with a lower barrier. The reaction between cyanogen azide and hydrazoic acid preferentially produce 5-azido-1H-tetrazole. The decyclization barriers of 1H-tetrazolo[1,5-d]tetrazole and tetrazolo[1,5-d]tetrazolate anion are 44.7 and 81.6 kJ mol-1, respectively. The deprotoned anion is more available than the neutral compound. Heptaazacubane and heptaazacubanide anion with cubic geometries are highly unstable.

  17. Thermal decomposition studies of riot control agent ω-chloroacetophenone (CN) by pyrolysis-gas chromatography-mass spectrometry.

    Science.gov (United States)

    Nigam, Anil K; Suryanarayana, M V S; Gutch, P K; Sharma, Shiv P; Tomar, L N S; Vijayaraghavan, R

    2010-12-15

    Pyrolysis-GC/MS system with on-line micro-furnace was used to make rapid evaluation of ω-chloroacetophenone (CN) decomposition under inert thermal atmospheres. The volatile products evolved during pyrolysis were analyzed by thermal gravimetric analysis (TGA) and Py-GC/MS to obtain specific thermogram and pyrogram. Thermal gravimetric analysis results showed that CN undergoes sublimation at 167°C prior to its decomposition at 229°C. Totally 45 degradation products were identified based on mass spectral library matching with the aid of correlation of the values of boiling point (bp) and retention time. A large number of mono-aromatics and polycyclic aromatic hydrocarbons were observed beyond 600°C. In addition to the aromatic hydrocarbons, oxygenated compounds were also observed during the pyrolysis process. The pyrolysis mechanism was proposed based on the determined pyrolysates and their relative abundance with temperature. The investigation results can provide significant information for understanding the thermal behavior of CN and evaluation of the potential influence of the pyrolysates to living being and the environment. Copyright © 2010 Elsevier B.V. All rights reserved.

  18. [Nitrogen, phosphorus and the C/N ratio in superficial sediments of the lagoon of Chacopata, Sucre, Venezuela].

    Science.gov (United States)

    Fuentes Hernández, M V

    2000-12-01

    The basal behaviour and relationship with organic carbon (Corg) content and prevailing granulometric fractions, of organic nitrogen (Norg), total phosphorus (P-total) and C/N ratio in surface sediments of Chacopata lagoon, Sucre State, Venezuela, were studied. Concentrations and spatial gradients were determined in sixteen stations following a common method for marine sediments. Norg concentrations varied between 0.102 and 0.510% (x = 0.237%), total phosphorus between 0.012 and 0.094% (x = 0.058%) and C/N ratio between 9.27 and 44.47 (x = 20.53). The higher contents of Norg and total phosphorus are from sections with an abundance of mangroves, marine phanerogams, macroalgae, benthonic biomass and migratory birds shelters. The C/N ratio shows the typical values for carbonated sediments, indicating that the nitrogenous compounds are rapidly degraded and the organic matter presents itself as humic substances. This parameter was moderately associated with silt and clay, and showed antagonism with sand, whereas Norg and phosphorus showed no correlation with them. The organic contribution is purely autochthonous: no anthropogenous contributions were found.

  19. Al12CN11 nano-cage sensitive to NH3 detection: A first-principles study

    Science.gov (United States)

    Tazikeh-Lemeski, Elham

    2017-05-01

    We investigated the adsorption ability of NH3 molecule on the outer surfaces of Al12N12, Al16N16, and Al12CN11 nano-cages using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. The calculations represent that the NH3 molecule can be chemically adsorbed on the top of aluminum atoms in Al12N12 and Al16N16 nano-cages with the energies of -1.38 and -1.30 eV, respectively, indicating that the nature of these interactions are of the covalent characteristic. After the NH3 adsorption on the Al12CN11, the electronic and optical properties of the nano-cage and the atomic charge in the some of the nearby Al and N atoms around C atom was dramatically changed. Thus, the Al12CN11 can be utilized as a novel material for the detection of NH3 molecule owing to significant changes observed in their electrical conductivity.

  20. Simultaneous Speciation, Structure, and Equilibrium Constant Determination in the Ni2+-EDTA-CN- Ternary System via High-Resolution Laboratory X-ray Absorption Fine Structure Spectroscopy and Theoretical Calculations.

    Science.gov (United States)

    Bajnóczi, Éva G; Németh, Zoltán; Vankó, György

    2017-11-20

    Even quite simple chemical systems can involve many components and chemical states, and sometimes it can be very difficult to differentiate them by their hardly separable physical-chemical properties. The Ni II -EDTA-CN - (EDTA = ethylenediaminetetraacetic acid) ternary system is a good example for this problem where, in spite of its fairly simple components and numerous investigations, several molecular combinations can exist, all of them not having been identified unambiguously yet. In order to achieve a detailed understanding of the reaction steps and chemical equilibria, methods are required in which the structural transitions in the different reaction steps can be followed via element-selective complex spectral feature sets. With the help of our recently developed von Hámos type high-resolution laboratory X-ray absorption spectrometer, both the structural variations and stability constants of the forming complexes were determined from the same measurement series, proving that X-ray absorption spectroscopy can be considered as a multifaced, table-top tool in coordination chemistry. Furthermore, with the help of theoretical calculations, independent structural evidence was also given for the formation of the [NiEDTA(CN)] 3- mixed complex.

  1. The Featurization of Journalism

    OpenAIRE

    Steensen, Steen

    2011-01-01

    Feature journalism has developed from being an insignificant supplement to news journalism to a family of genres that today dominates newspapers. The present article explores the growing importance of feature journalism and attempts to understand its social function, how it has changed and why it has become so important. Based on an analysis of influential textbooks on feature journalism, the paper argues that feature journalism has traditionally been dominated by a literary d...

  2. Boreal forest fire emissions in fresh Canadian smoke plumes: C1-C10 volatile organic compounds (VOCs, CO2, CO, NO2, NO, HCN and CH3CN

    Directory of Open Access Journals (Sweden)

    M. Yang

    2011-07-01

    Full Text Available Boreal regions comprise about 17 % of the global land area, and they both affect and are influenced by climate change. To better understand boreal forest fire emissions and plume evolution, 947 whole air samples were collected aboard the NASA DC-8 research aircraft in summer 2008 as part of the ARCTAS-B field mission, and analyzed for 79 non-methane volatile organic compounds (NMVOCs using gas chromatography. Together with simultaneous measurements of CO2, CO, CH4, CH2O, NO2, NO, HCN and CH3CN, these measurements represent the most comprehensive assessment of trace gas emissions from boreal forest fires to date. Based on 105 air samples collected in fresh Canadian smoke plumes, 57 of the 80 measured NMVOCs (including CH2O were emitted from the fires, including 45 species that were quantified from boreal forest fires for the first time. After CO2, CO and CH4, the largest emission factors (EFs for individual species were formaldehyde (2.1 ± 0.2 g kg−1, followed by methanol, NO2, HCN, ethene, α-pinene, β-pinene, ethane, benzene, propene, acetone and CH3CN. Globally, we estimate that boreal forest fires release 2.4 ± 0.6 Tg C yr−1 in the form of NMVOCs, with approximately 41 % of the carbon released as C1-C2 NMVOCs and 21 % as pinenes. These are the first reported field measurements of monoterpene emissions from boreal forest fires, and we speculate that the pinenes, which are relatively heavy molecules, were detected in the fire plumes as the result of distillation of stored terpenes as the vegetation is heated. Their inclusion in smoke chemistry models is expected to improve model predictions of secondary organic aerosol (SOA formation. The fire-averaged EF of dichloromethane or CH2Cl2, (6.9 ± 8.6 × 10−4 g kg−1, was not significantly different from zero and supports recent findings that its global biomass burning source appears to have been overestimated. Similarly, we found no evidence for emissions of chloroform (CHCl3 or methyl

  3. Intersection of Feature Models

    NARCIS (Netherlands)

    van den Broek, P.M.

    In this paper, we present an algorithm for the construction of the intersection of two feature models. The feature models are allowed to have "requires" and "excludes" constraints, and should be parent-compatible. The algorithm is applied to the problem of combining feature models from stakeholders

  4. Merging Feature Models

    NARCIS (Netherlands)

    van den Broek, P.M.; Galvao, I.; Noppen, J.A.R.

    2010-01-01

    In this paper, we consider the problem of merging feature models which consist of trees with "requires" and "excludes" constraints. For any two such feature models which are parent-compatible, their merge is defined to be the smallest parent-compatible feature model which has all products of the

  5. Strong overtones modes in inelastic electron tunneling spectroscopy with cross-conjugated molecules

    DEFF Research Database (Denmark)

    Jørgensen, Jacob Lykkebo; Gagliardi, Alessio; Pecchia, Alessandro

    2013-01-01

    that overtones are not observable in IETS. Here, overtones are predicted to be strong and, in some cases, the dominant spectroscopic features. We study the origin of the overtones and find that the interference features in these molecules are the key ingredient. The interference feature is a property...

  6. Soil mixing and transport increase inventories of mineral surface area and organic carbon, with systematic shifts in C/N, δ13C, and δ15N, along a forested hillslope transect

    Science.gov (United States)

    Fisher, B.; Yoo, K.; Aufdenkampe, A. K.; Nater, E. A.; Aalto, R. E.; Marquard, J.

    2017-12-01

    The quantity of organic carbon (OC) per unit of mineral surface area (OC/SA) and the inventory of organic carbon increased by a factor of 2-3 as result of soil mixing due to soil creep, erosional movement, and in situ mixing process in a soil transect in a first-order forested watershed in the Christina River Basin Critical Zone Observatory. In the uppermost 5 meters, 50-75% of mineral specific surface area was contributed by citrate-dithionate extractable forms of iron and aluminum that comprised less than 2.5% of the total sample mass. As soils were redistributed to depositional landscape positions, mixing processes systematically decreased C/N and enriched stable isotopes of C ( δ13C) and N ( δ15N). Radiocarbon (14C) concentration of light and dense fraction OC (divided at 2.0 g cm-3), increased with depth, but results of light fraction radiocarbon were obscured by 3000-year-old charcoal. Short range order Fe- and Al-bearing minerals contributed the vast majority of specific surface area, and this finding has implications for the stability and longevity of organomineral complexes. We identified a strong correlation between C/N and the ratio of OC to mineral surface area (OC/SA), indicating that the processes that associate organic matter and minerals are fundamentally linked with organic matter composition, and both properties may provide a proxy for organic matter stabilization by soil minerals.

  7. Promoting acquisition of competences and standardization of curricula in Rural Engineering teaching through common practical cases in Hydrology: CN-match

    Science.gov (United States)

    Licciardello, Feliciana; Consoli, Simona; Atlaw, Tigist; Nicastro, Roberto; Brígido, Consuelo C.; Lorite, Ángela; Taguas, Encarnación V.

    2014-05-01

    in order to manage and reduce the ¬flooding and land-sliding risk. Flood and landslide maps qualitatively and quantitatively identify urban and natural features affecting the sustainable social, economic and industrial development. These studies imply the use of last generation tools and datasets for the land surveying characterization also through remote sensed topographic data (DTM, DSM, LIDAR, ASTER and Laser Scanner), hydrologic/hydraulic modeling (commercial and experimental rainfall/runoff numerical models, algorithms for 1D and 2D hydrodynamic routing) and GIS mapping. In both the university courses in Italy and Spain, after completing the hydrological studies, the students were trained into a procedure based on the CN -SCS method; in the period October 2013 - January 2014. To evaluate the usefulness of the teaching experience, a pull about the degree of interest and the ability and skills acquired was given to the students before and later the course. . Thus experience has been quite motivating for students and teachers. For instance, an Ethiopian student frequenting the Italian course was one of the two selected students for the Italian university course; this could help in diffusing the methodology also in countries that are still not included in the Bologna Process. The evaluation of the practical case implementation as well as the results of the final test showed that, due to the introduction of this methodology in these Spanish and Italian courses, the level of knowledge about hydrological engineering projects as well as the interest and the capability by students of facing an hydrological study for controlling floods or managing resources increased significantly. REFERENCES: USDA Soil Conservation Service, 1972. National Engineering Handbook, Section 4, Hydrology. US Government Printing Office, Washington, DC, 544.

  8. Strongly interacting photons and atoms

    International Nuclear Information System (INIS)

    Alge, W.

    1999-05-01

    This thesis contains the main results of the research topics I have pursued during the my PhD studies at the University of Innsbruck and partly in collaboration with the Institut d' Optique in Orsay, France. It is divided into three parts. The first and largest part discusses the possibility of using strong standing waves as a tool to cool and trap neutral atoms in optical cavities. This is very important in the field of nonlinear optics where several successful experiments with cold atoms in cavities have been performed recently. A discussion of the optical parametric oscillator in a regime where the nonlinearity dominates the evolution is the topic of the second part. We investigated mainly the statistical properties of the cavity output of the three interactive cavity modes. Very recently a system has been proposed which promises fantastic properties. It should exhibit a giant Kerr nonlinearity with negligible absorption thus leading to a photonic turnstile device based on cold atoms in cavity. We have shown that this model suffers from overly simplistic assumptions and developed several more comprehensive approaches to study the behavior of this system. Apart from the division into three parts of different contents the thesis is divided into publications, supplements and invisible stuff. The intention of the supplements is to reach researchers which work in related areas and provide them with more detailed information about the concepts and the numerical tools we used. It is written especially for diploma and PhD students to give them a chance to use the third part of our work which is actually the largest one. They consist of a large number of computer programs we wrote to investigate the behavior of the systems in parameter regions where no hope exists to solve the equations analytically. (author)

  9. Topics in strong Langmuir turbulence

    International Nuclear Information System (INIS)

    Skoric, M.M.

    1981-01-01

    This thesis discusses certain aspects of the turbulence of a fully ionised non-isothermal plasma dominated by the Langmuir mode. Some of the basic properties of strongly turbulent plasmas are reviewed. In particular, interest is focused on the state of Langmuir turbulence, that is the turbulence of a simple externally unmagnetized plasma. The problem of the existence and dynamics of Langmuir collapse is discussed, often met as a non-linear stage of the modulational instability in the framework of the Zakharov equations (i.e. simple time-averaged dynamical equations). Possible macroscopic consequences of such dynamical turbulent models are investigated. In order to study highly non-linear collapse dynamics in its advanced stage, a set of generalized Zakharov equations are derived. Going beyond the original approximation, the author includes the effects of higher electron non-linearities and a breakdown of slow-timescale quasi-neutrality. He investigates how these corrections may influence the collapse stabilisation. Recently, it has been realised that the modulational instability in a Langmuir plasma will be accompanied by the collisionless-generation of a slow-timescale magnetic field. Accordingly, a novel physical situation has emerged which is investigated in detail. The stability of monochromatic Langmuir waves in a self-magnetized Langmuir plasma, is discussed, and the existence of a novel magneto-modulational instability shown. The wave collapse dynamics is investigated and a physical interpretation of the basic results is given. A problem of the transient analysis of an interaction of time-dependent electromagnetic pulses with linear cold plasma media is investigated. (Auth.)

  10. Promoting Strong Written Communication Skills

    Science.gov (United States)

    Narayanan, M.

    2015-12-01

    The reason that an improvement in the quality of technical writing is still needed in the classroom is due to the fact that universities are facing challenging problems not only on the technological front but also on the socio-economic front. The universities are actively responding to the changes that are taking place in the global consumer marketplace. Obviously, there are numerous benefits of promoting strong written communication skills. They can be summarized into the following six categories. First, and perhaps the most important: The University achieves learner satisfaction. The learner has documented verbally, that the necessary knowledge has been successfully acquired. This results in learner loyalty that in turn will attract more qualified learners.Second, quality communication lowers the cost per pupil, consequently resulting in increased productivity backed by a stronger economic structure and forecast. Third, quality communications help to improve the cash flow and cash reserves of the university. Fourth, having high quality communication enables the university to justify the need for high costs of tuition and fees. Fifth, better quality in written communication skills result in attracting top-quality learners. This will lead to happier and satisfied learners, not to mention greater prosperity for the university as a whole. Sixth, quality written communication skills result in reduced complaints, thus meaning fewer hours spent on answering or correcting the situation. The University faculty and staff are thus able to devote more time on scholarly activities, meaningful research and productive community service. References Boyer, Ernest L. (1990). Scholarship reconsidered: Priorities of the Professorate.Princeton, NJ: Carnegie Foundation for the Advancement of Teaching. Hawkins, P., & Winter, J. (1997). Mastering change: Learning the lessons of the enterprise.London: Department for Education and Employment. Buzzel, Robert D., and Bradley T. Gale. (1987

  11. Evidence of amino acid precursors: C-N bond coupling in simulated interstellar CO2/NH3 ices

    Science.gov (United States)

    Esmaili, Sasan

    2015-08-01

    Low energy secondary electrons are abundantly produced in astrophysical or planetary ices by the numerous ionizing radiation fields typically encountered in space environments and may thus play a role in the radiation processing of such ices [1]. One approach to determine their chemical effect is to irradiate nanometer thick molecular solids of simple molecular constituents, with energy selected electron beams and to monitor changes in film chemistry with the surface analytical techniques [2].Of particular interest is the formation of HCN, which is a signature of dense gases in interstellar clouds, and is ubiquitous in the ISM. Moreover, the chemistry of HCN radiolysis products such as CN- may be essential to understand of the formation of amino acids [3] and purine DNA bases. Here we present new results on the irradiation of multilayer films of CO2 and NH3 with 70 eV electrons, leading to CN bond formations. The electron stimulated desorption (ESD) yields of cations and anions are recorded as a function of electron fluence. The prompt desorption of cationic reaction/scattering products [4], is observed at low fluence (~4x1013 electrons/cm2). Detected ions include C2+, C2O2+, C2O+, CO3+, C2O3+ or CO4+ from pure CO2, and N+, NH+, NH2+, NH3+, NH4+, N2+, N2H+ from pure NH3, and NO+, NOH+ from CO2/NH3 mixtures. Most saliently, increasing signals of negative ion products desorbing during prolonged irradiation of CO2/NH3 films included C2-, C2H-, C2H2-, as well as CN-, HCN- and H2CN-. The identification of particular product ions was accomplished by using 13CO2 and 15NH3 isotopes. The chemistry induced by electrons in pure films of CO2 and NH3 and mixtures with composition ratios (3:1), (1:1), and (1:3), was also studied by X-ray photoelectron spectroscopy (XPS). Irradiation of CO2/NH3 mixed films at 22 K produces species containing the following bonds/functional groups identified by XPS: C=O, O-H, C-C, C-O, C=N and N=O. (This work has been funded by NSERC).

  12. FEATURES OF STUDENTS` BLOOD MICROCIRCULATION

    Directory of Open Access Journals (Sweden)

    Horban D. D.

    2015-12-01

    Full Text Available The experimental research included the study of the functional state of blood microcirculation by means of laser Doppler flowmetry (LDF. Allowing to assess the condition of tissue blood flow and to detect the features of the microcirculation under different types of higher nervous activity. The obtained results showed that at most of students high-amplitude LDF was registered. Determining the characteristics of students` blood microcirculation with different types of higher nervous activity among healthy students 17-22 years showed that the prevailing strong and active types of temperament (choleric and sanguine students hiperemichnym type of temperament. Percentage strong, but few mobile (phlegmatic students was minimal and there was a greater number of students with hiperemichnym type of microcirculation, and the percentage weak sedentary (melancholic type had a mean and often observed in students from normoemichnym type of blood microcirculation.

  13. FEATURES OF STUDENTS` BLOOD MICROCIRCULATION

    Directory of Open Access Journals (Sweden)

    D. D. Horban

    2015-12-01

    Full Text Available The experimental research included the study of the functional state of blood microcirculation by means of laser Doppler flowmetry (LDF. Allowing to assess the condition of tissue blood flow and to detect the features of the microcirculation under different types of higher nervous activity. The obtained results showed that at most of students high-amplitude LDF was registered. Determining the characteristics of students` blood microcirculation with different types of higher nervous activity among healthy students 17-22 years showed that the prevailing strong and active types of temperament (choleric and sanguine students hiperemichnym type of temperament. Percentage strong, but few mobile (phlegmatic students was minimal and there was a greater number of students with hiperemichnym type of microcirculation, and the percentage weak sedentary (melancholic type had a mean and often observed in students from normoemichnym type of blood microcirculation. Keywords: the blood microcirculation, LDF-metry, the higher nervous activity, temperament.

  14. Structure, tribological and electrochemical properties of low friction TiAlSiCN/MoSeC coatings

    Energy Technology Data Exchange (ETDEWEB)

    Bondarev, A.V.; Kiryukhantsev-Korneev, Ph.V.; Sheveyko, A.N.; Shtansky, D.V., E-mail: shtansky@shs.misis.ru

    2015-02-01

    Highlights: • TiAlSiCN/MoSeC coatings for tribological applications. • Doping with MoSeC reduces friction coefficient in humid air from 0.8–0.9 to 0.05. • Doping with MoSeC increases wear resistance by one-two orders of magnitude. • TiAlSiCN/MoSeC coatings demonstrated low friction coefficient in distilled water. • TiAlSiCN/MoSeC coatings showed superior tribological properties at moderate temperatures. - Abstract: The present paper is focused on the development of hard tribological coatings with low friction coefficient (CoF) in different environments (humid air, distilled water) and at elevated temperatures. TiAlSiCN/MoSeC coatings were deposited by magnetron sputtering of four-segment targets consisting of quarter circle TiAlSiCN segments, obtained by self-propagating high-temperature synthesis, and one or two cold pressed segments made of MoSe{sub 2} and C powders in a ratio 1:1 wt%. The structure and phase composition of coatings were investigated by means of X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy. The coatings were characterized in terms of their hardness, elastic modulus, and elastic recovery. The tribological properties of coatings were investigated first at room temperature against Al{sub 2}O{sub 3} and WC–Co balls, after which studied in distilled water and during continuous heating in air in the temperature range of 25–400 °C against Al{sub 2}O{sub 3} counterpart material. To evaluate their electrochemical characteristics, the coatings were tested in 1 N H{sub 2}SO{sub 4} solution. The obtained results show that the coating hardness depends on the amount of MoSeC additives and decreased from 40 to 28 (one MoSeC segment) and 12 GPa (two MoSeC segments). Doping with MoSeC resulted in a significant reduction of CoF values measured in humid air (RH 60 ± 5%) from 0.8–0.9 to 0.05 and an increase of wear resistance by one or two orders of magnitude depending on

  15. Toward a Strongly Interacting Scalar Higgs Particle

    International Nuclear Information System (INIS)

    Shalaby, Abouzeid M.; El-Houssieny, M.

    2008-01-01

    We calculate the vacuum energy of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 scalar field theory. Rather than the corresponding Hermitian theory and due to the asymptotic freedom property of the theory, the vacuum energy does not blow up for large energy scales which is a good sign to solve the hierarchy problem when using this model to break the U(1)xSU(2) symmetry in the standard model. The theory is strongly interacting and in fact, all the dimensionful parameters in the theory like mass and energy are finite even for very high energy scales. Moreover, relative to the vacuum energy for the Hermitian φ 4 theory, the vacuum energy of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 theory is tiny, which is a good sign toward the solution of the cosmological constant problem. Remarkably, these features of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 scalar field theory make it very plausible to be employed as a Higgs mechanism in the standard model instead of the problematic Hermitian Higgs mechanism

  16. Computational investigation of the electronic and structural properties of CN radical on the pristine and Al-doped (6, 0) BN nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Soltani, Alireza, E-mail: alireza.soltani46@yahoo.com [Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Moradi, Ali Varasteh [Department of Chemistry, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Bahari, Mahsa [Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Masoodi, Anis [Department of Chemistry, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Shojaee, Shamim [Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of)

    2013-12-01

    We have performed first-principle calculations to investigate the adsorption behavior of the CN radical (CåN) on the external surface of H-capped Al-doped (6, 0) zigzag single-walled BN nanotubes (BNNT). We calculated the bond length, gap energies, dipole moments, and electronic properties of the {sup ·}CN on the exterior surface of SWBNNT. Binding energy corresponding to the most stable configuration of CN radical on Al{sub N}-doped BNNT is found to be −471.73 kJ mol{sup −1}. The calculated density of states (DOS) reveals that there is a significant orbital hybridization between {sup ·}CN and Al-doping species in the adsorption process being evidence of an exothermic process. The results indicate that BNNT could be a suitable sensor.

  17. Computational investigation of the electronic and structural properties of CN radical on the pristine and Al-doped (6, 0) BN nanotubes

    International Nuclear Information System (INIS)

    Soltani, Alireza; Moradi, Ali Varasteh; Bahari, Mahsa; Masoodi, Anis; Shojaee, Shamim

    2013-01-01

    We have performed first-principle calculations to investigate the adsorption behavior of the CN radical (CåN) on the external surface of H-capped Al-doped (6, 0) zigzag single-walled BN nanotubes (BNNT). We calculated the bond length, gap energies, dipole moments, and electronic properties of the · CN on the exterior surface of SWBNNT. Binding energy corresponding to the most stable configuration of CN radical on Al N -doped BNNT is found to be −471.73 kJ mol −1 . The calculated density of states (DOS) reveals that there is a significant orbital hybridization between · CN and Al-doping species in the adsorption process being evidence of an exothermic process. The results indicate that BNNT could be a suitable sensor

  18. 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.

  19. Organic carbon source and C/N ratio affect inorganic nitrogen profile in the biofloc-based culture media of Pacific white shrimp (Litopenaeus vannamei)

    OpenAIRE

    Muhammad Hanif Azhar; Eddy Supriyono; Kukuh Nirmala; Julie Ekasari

    2016-01-01

    Organic carbon source and C/N ratio play an important role in aquaculture system with biofloc technology application. Nitrogen control by adding carbohydrates to the water to stimulate heterotrophic bacterial growth by converting nitrogen into bacterial biomass. The study investigated the effect molasses, tapioca, tapioca by product and rice bran as carbon sources in a biofloc media at three different C/N ratios i.e. 10, 15, and 20 on total ammonia reduction in biofloc media. Five liters of b...

  20. Combined Carbon Isotope and C/N Ratios as Indicators of Source and Fate of Organic Matter in a Poorly Flushed, Tropical Estuary: Hunts Bay, Kingston Harbour, Jamaica

    Science.gov (United States)

    Andrews, J. E.; Greenaway, A. M.; Dennis, P. F.

    1998-05-01

    Stable carbon isotopes and C/N ratios of particulate organic matter (POM) in suspended solids, surficial sediments and sediment cores were used to define the spatial and temporal variability of POM in a poorly flushed, urbanized, eutrophic tropical estuary (Hunts Bay, Kingston Harbour, Jamaica). C/N variation in the sediment surface POM is a function of initial suspended particulate organic matter (SPOM) (or other POM) type and the alteration of C/N ratios in the water column or on the sediment surface. The δ 13C SPOM(-20 to -25‰) values suggest that this material is a mixture of: (1) in situphytoplankton organic matter; (2) terrestrial river-borne SPOM; (3) terrestrial river-borne bottom sediment POM; and (4) sewage. Downcore variation in organic carbon content, C/N and δ 13Cis attributed mainly to change in the supply rate and type of organic matter. In the NE of Hunts Bay, down core variation in sedimentology and geochemistry are consistent with a change from fully marine to freshwater runoff-dominated sedimentation with increasing organic matter input from sewage in recent times. Despite large overlaps in the C/N and δ 13C org' end-members ' pollutant POM, in this case sewage, was the only source which could account for the amount of POM deposited, the surface sediment C/N and δ 13C orgvalues and the trajectories of evolution in C/N and δ 13C orgvalues in cores. The data show that the combined δ 13C and C/N successfully identifies the source, fate and history of POM even in a poorly-mixed estuary.

  1. 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.

  2. Methane enhancement through co-digestion of chicken manure and thermo-oxidative cleaved wheat straw with waste activated sludge: A C/N optimization case.

    Science.gov (United States)

    Hassan, Muhammad; Ding, Weimin; Shi, Zhendan; Zhao, Sanqin

    2016-07-01

    The present study emphasized the co-digestion of the thermal-H2O2 pretreated wheat straw (WS) and chicken manure (CM) with the waste activated sludge at four levels of C/N (35:1, 30:1, 25:1 and 20:1). All C/N compositions were found significant (Pmethane generation and process stability during the anaerobic co-digestion of WS and CM. The experimental results revealed that the composition having C/N value of 20:1 was proved as optimum treatment with the methane enhancing capability of 85.11%, CODs removal efficiency of 48.55% and 66.83% VS removal as compared with the untreated WS. The other compositions having C/N of 25:1, 30:1 and 35:1 provided 75.85%, 63.04% and 59.96% enhanced methane respectively as compared with the control. Pretreatment of the WS reduced its C/N value up to 65%. Moreover, to optimize the most suitable C/N composition, the process stability of the co-digestion of WS and CM was deeply monitored. Copyright © 2016 Elsevier Ltd. All rights reserved.

  3. Comparison of physicochemical parameters during the forced-aeration composting of sewage sludge and maize straw at different initial C/N ratios.

    Science.gov (United States)

    Wang, Zichao; Gao, Mengchun; Wang, Zhe; She, Zonglian; Hu, Bo; Wang, Yuejing; Zhao, Congcong

    2013-10-01

    The composting of sewage sludge and maize straw was investigated in forced-aeration composting systems at initial C/N ratios of 14, 20, and 25, respectively. The temperatures of composting mixture with initial C/N ratios of 25 and 20 could meet the requirement of destroying pathogens. The final electrical conductivity (EC) of composting mixture with initial C/N ratios of 20 and 25 did not exceed the limit value of 3000 microS cm(-1), and the NH4(+)-N content of composting mixture with an initial C/N ratio of 14 did not meet the limit value of 400 mg kg(-1). The final NO3(-)-N and germination index (GI) of composting mixture with an initial C/N ratio of 25 were higher than those of composting mixtures with initial C/N ratios of 14 and 20. The Fourier transform infrared (FTIR) spectra of composting mixtures in the three composting mixtures showed the same changing pattern during the composting.

  4. Efficient adsorption of Au(CN2− from gold cyanidation with graphene oxide-polyethylenimine hydrogel as adsorbent

    Directory of Open Access Journals (Sweden)

    Lang Yang

    Full Text Available The adsorption of gold cyanide complex ion (Au(CN2− 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(CN2− 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(CN2−, suggesting that GO/PEI hydrogel might be a good adsorbent for the recovery of Au(CN2−. The adsorption of Au(CN2− on GO/PEI hydrogel obeyed the Langmuir isotherm model and fitted well with the pseudo second order model. The good recovery of Au(CN2− 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. Keywords: Graphene oxide, Polyethylenimine, Hydrogel, Cyanide complex ion

  5. Cooperative redox-active additives of anthraquinone-2,7-disulphonate and K4Fe(CN)6 for enhanced performance of active carbon-based capacitors

    Science.gov (United States)

    Tian, Ying; Liu, Ming; Che, Ruxing; Xue, Rong; Huang, Liping

    2016-08-01

    Two redox additives of anthraquinone-2,7-disulphonate (AQDS) and K4Fe(CN)6 are introduced into the neutral medium of KNO3 for enhanced performance of active carbon-based (AC) capacitor. The Faradaic redox reactions of AQ/H2AQ and Fe(CN)63-/Fe(CN)64- are diffusion-controlled and occurred on the negative electrode and the positive electrode respectively and simultaneously, resulting in the enhancement of specific capacitance, power density and energy density of 240 F g-1, 527 W kg-1 and 26.3 Wh kg-1, respectively at a current density of 1.0 A g-1 for a symmetric AC capacitor in the electrolyte of 1 M KNO3-0.017 M K4Fe(CN)6-0.017 M AQDS. These values are much higher than those in the controls of either 1 M KNO3-0.017 M K4Fe(CN)6 or 1 M KNO3-0.017 M AQDS with only one pair of redox additives. These results demonstrate the cooperative K4Fe(CN)6 and AQDS for enhanced performance of AC capacitor, and thus provide an alternative approach for efficient capacitors.

  6. [Fe(CN)6]4- decorated mesoporous gelatin thin films for colorimetric detection and as sorbents of heavy metal ions.

    Science.gov (United States)

    Shi, Li; Huang, Hubiao; Sun, Luwei; Lu, Yanping; Du, Binyang; Mao, Yiyin; Li, Junwei; Ye, Zhizhen; Peng, Xinsheng

    2013-09-28

    [Fe(CN)6](4-) decorated mesoporous gelatin films, acting as colorimetric sensors and sorbents for heavy metal ions, were prepared by incorporating [Fe(CN)6](4-) ions into the mesoporous gelatin films through electrostatic interaction. Gelatin-Prussian blue (PB) and gelatin-PB analogue composite films were successfully synthesized by immersing the [Fe(CN)6](4-) decorated gelatin films into aqueous solutions of metal ions, such as Fe(3+), Cu(2+), Co(2+), Pb(2+) and Cd(2+) (all as nitrates). The in situ formation process of PB or its analogues in the films was investigated using quartz crystal microbalance (QCM) measurements. According to the different colors of the PB nanoparticles and its analogues, the [Fe(CN)6](4-) decorated mesoporous gelatin films demonstrated colorimetric sensor abilities for detecting the corresponding metal ions by the naked eye with sufficient sensitivity at 1 ppm level and a quite short response time of 5 minutes. Moreover, due to the [Fe(CN)6](4-) functionality and other functional groups of gelatin itself, this [Fe(CN)6](4-) decorated mesoporous gelatin film shows a tens times higher adsorption ability for heavy metal ions in water than that of activated carbon. Due to both the efficient detection and high adsorption ability for heavy metal ions, this film has wide potential applications for the detection and purification of heavy metal ions from polluted water.

  7. Teores de macro e micronutrientes e a relação c/n de várias espécies de plantas daninhas Contents of macronutrients and micronutrients and CN relation of several weed species

    Directory of Open Access Journals (Sweden)

    Luciano S. Souza

    1999-04-01

    Full Text Available O objetivo do presente trabalho foi determinar os teores de nutrientes (N, P, K, Ca, Mg, S, Cu, Zn, Fe e Mn e a relação C/N, presentes na matéria seca da parte aérea das seguintes espécies de plantas daninhas: Ageratum conyzoides L., Amaranthus lividus L., Bidens pilosa L., Brachiaria decumbens Stapf., Brachiaria plantaginea (Link Hitchc., Senna occidentalis (L. Link., Commelina benghalensis L., Cyperus rotundus L., Digitaria horizontalis Willd., Euphorbia heterophylla L., Indigofera truxillensis H.B.K., Ipomoea acuminata Roem. et Schult, Panicum maximum Jacq., Raphanus raphanistrum L., Rhynchelytrum repens (Willd. C.E. Hubb., Richardia brasiliensis Gomez e Sida cordifolia L. Os teores de macronutrientes obtidos da matéria seca das plantas daninhas, foram maiores em geral nas dicotiledôneas. Em relação às monocotiledôneas não houve um padrão de comportamento para os micronutrientes. Entretanto, o teores de carbono foram, em média, superiores para todas as monocotiledôneas, sendo que as dicotiledôneas apresentaram relações C/N menores do que as monocotiledôneas.The aim of this work was to determine nutrient contents (N, P, K, Ca, Mg, S, Cu, Zn, Fe and Mn as well as the CN relation found in the dry matter of the aerial parts of the following weeds: Ageratum conyzoides L., Amaranthus lividus L., Bidens pilosa L., Brachiaria decumbens Stapf., Brachiaria plantaginea (Link Hitchc., Senna occidentalis (L. Link., Commelina benghalensis L., Cyperus rotundus L., Digitaria horizontalis Willd., Euphorbia heterophylla L., Indigofera truxillensis H.B.K., Ipomoea acuminata Roem. et Schult, Panicum maximum Jacq., Raphanus raphanistrum L., Rhynchelytrum repens (Willd. C.E. Hubb., Richardia brasiliensis Gomez e Sida cordifolia L. Macronutrient contents got from weeds dry matter were higher in the dycotiledons.Concerning monocotyledons there were no standard of behaviour for micronutrients. However, carbon contents were superior to all

  8. The role of CnTI-SonoVue in the diagnosis of ovarian masses with papillary projections: a preliminary study.

    Science.gov (United States)

    Testa, A C; Timmerman, D; Exacoustos, C; Fruscella, E; Van Holsbeke, C; Bokor, D; Arduini, D; Scambia, G; Ferrandina, G

    2007-05-01

    To describe sonographically the distribution patterns of a second-generation contrast agent in the microcirculation of unilocular and multilocular ovarian masses with papillary projections, and to investigate whether qualitative evaluation of the passage of the contrast agent can improve the performance of sonography in distinguishing between benign and malignant masses with papillary projections. Thirty-three patients with unilocular or multilocular ovarian masses with papillary projections were enrolled into the study in three clinical centers. The contrast-enhanced transvaginal examination was performed using 'Contrast Tuned Imaging' (CnTI) technology and SonoVue ultrasound contrast agent. Twenty-four (73%) lesions were benign, eight (24%) were borderline ovarian tumors, and one patient presented with an endometrioid ovarian adenocarcinoma. On color and power Doppler examinations the presence of vessels was demonstrated in 17 papillary projections, while on CnTI-SonoVue examination, the presence of vessels was shown in these 17 and in six additional cases. In all cases with absent papillary perfusion after SonoVue intravenous injection, the cyst wall appeared unequivocally regular. The sensitivity and specificity of conventional color Doppler examination with regard to malignancy were 100% and 67% and the positive and negative likelihood ratios were 3.03 and 0.16, respectively. For the contrast-enhanced examination the corresponding values were 100%, 42%, 1.7 and 0.26. The difference in specificity was statistically significant (PSonoVue injection, proved to be benign on pathological examination. Qualitative evaluation of blood circulation in papillary projections using CnTI-SonoVue examination does not improve the discrimination of benign from borderline/malignant ovarian masses with papillary projections. Copyright (c) 2007 ISUOG.

  9. Tribological behavior and self-healing functionality of TiNbCN-Ag coatings in wide temperature range

    Science.gov (United States)

    Bondarev, A. V.; Kiryukhantsev-Korneev, Ph. V.; Levashov, E. A.; Shtansky, D. V.

    2017-02-01

    Ag- and Nb-doped TiCN coatings with about 2 at.% of Nb and Ag contents varied between 4.0 and 15.1 at.% were designed as promising materials for tribological applications in a wide temperature range. We report on the structure, mechanical, and tribological properties of TiNbCN-Ag coatings fabricated by simultaneous co-sputtering of TiC0.5 + 10%Nb2C and Ag targets in comparison with those of Ag-free coating. The tribological characteristics were evaluated during constant-temperature tests both at room temperature and 300 °C, as well as during dynamic temperature ramp tests in the range of 25-700 °C. The coating structure and elemental composition were studied by means of X-ray diffraction, scanning and transmission electron microscopy, and glow discharge optical emission spectroscopy. The coating microstructures and elemental compositions inside wear tracks, as well as the wear products, were examined by scanning electron microscopy, energy-dispersive spectroscopy, and Raman spectroscopy. We demonstrate that simultaneous alloying with Nb and Ag permits to overcome the main drawbacks of TiCN coatings such as their relatively high values of friction coefficient at elevated temperatures and low oxidation resistance. It is shown that a relatively high amount of Ag (15 at.%) is required to provide enhanced tribological behavior in a wide temperature range of 25-700 °C. In addition, the prepared Ag-doped coatings demonstrated active oxidation protection and self-healing functionality due to the segregation of Ag metallic particles in damage areas such as cracks, pin-holes, or oxidation sites.

  10. Sialidases affect the host cell adherence and epsilon toxin-induced cytotoxicity of Clostridium perfringens type D strain CN3718.

    Directory of Open Access Journals (Sweden)

    Jihong Li

    2011-12-01

    Full Text Available Clostridium perfringens type B or D isolates, which cause enterotoxemias or enteritis in livestock, produce epsilon toxin (ETX. ETX is exceptionally potent, earning it a listing as a CDC class B select toxin. Most C. perfringens strains also express up to three different sialidases, although the possible contributions of those enzymes to type B or D pathogenesis remain unclear. Type D isolate CN3718 was found to carry two genes (nanI and nanJ encoding secreted sialidases and one gene (nanH encoding a cytoplasmic sialidase. Construction in CN3718 of single nanI, nanJ and nanH null mutants, as well as a nanI/nanJ double null mutant and a triple sialidase null mutant, identified NanI as the major secreted sialidase of this strain. Pretreating MDCK cells with NanI sialidase, or with culture supernatants of BMC206 (an isogenic CN3718 etx null mutant that still produces sialidases enhanced the subsequent binding and cytotoxic effects of purified ETX. Complementation of BMC207 (an etx/nanH/nanI/nanJ null mutant showed this effect is mainly attributable to NanI production. Contact between BMC206 and certain mammalian cells (e.g., enterocyte-like Caco-2 cells resulted in more rapid sialidase production and this effect involved increased transcription of BMC206 nanI gene. BMC206 was shown to adhere to some (e.g. Caco-2 cells, but not all mammalian cells, and this effect was dependent upon sialidase, particularly NanI, expression. Finally, the sialidase activity of NanI (but not NanJ or NanH could be enhanced by trypsin. Collectively these in vitro findings suggest that, during type D disease originating in the intestines, trypsin may activate NanI, which (in turn could contribute to intestinal colonization by C. perfringens type D isolates and also increase ETX action.

  11. Features of nursing care provided for breast cancer patients treated with radiotherapy following breast-conserving surgery. Comparison of nursing practices between certified nurses in breast cancer nursing and non-specialist nurses working with breast cancer patients

    International Nuclear Information System (INIS)

    Kobayashi, Mariko; Takahira, Yumi; Ichikawa, Kayo; Horikoshi, Masataka; Futawatari, Tamae

    2012-01-01

    This study aimed to identifying features of nursing care provided for breast cancer patients during the course of radiotherapy following breast-conserving surgery and improve the quality of nursing care. Subjects were certified nurses in breast cancer nursing (CN) and non-specialist nurses working with breast cancer patients (NS). An anonymous survey questionnaire on nursing care and other practices provided before, during, and after radiotherapy was conducted by postal mail and the results were compared between CN and NS. Valid responses were obtained from 40 CN (41.2%) and 102 NS (56.7%). Significant differences between CN and NS were observed for 15 of 27 (55.6%) care items before radiotherapy, 18 of 18 (100%) items during radiotherapy, and 9 of 20 (45.0%) items after radiotherapy. Among the items with significant differences, significantly more NS than CN performed all nursing care items during the course of radiotherapy, except for one item provided before radiotherapy. These results demonstrate that it is necessary to facilitate enhanced collaboration and coordination between CN and NS providing nursing care for breast cancer patients in order to improve the quality of nursing care delivered to patients. (author)

  12. Continuum strong QCD: Confinement and dynamical chiral symmetry breaking

    International Nuclear Information System (INIS)

    Continuum strong QCD is the application of models and continuum quantum field theory to the study of phenomena in hadronic physics, which includes; e.g., the spectrum of QCD bound states and their interactions. Herein the author provides a Dyson-Schwinger equation perspective, focusing on qualitative aspects of confinement and dynamical chiral symmetry breaking in cold, sparse QCD, and also elucidating consequences of the axial-vector Ward-Takahashi identity and features of the heavy-quark limit

  13. Expression of putative zinc-finger protein lcn61 gene in lymphocystis disease virus China (LCDV-cn) genome

    Science.gov (United States)

    Yan, Xiuying; Sun, Xiuqin

    2009-05-01

    An open reading frame ( lcn61) of lymphocystis disease virus China (LCDV-cn), probably responsible for encoding putative zinc-finger proteins was amplified and inserted into pET24a (+) vector. Then it expressed in E. coli BL21 (DE3), and His-tag fusion protein of high yield was obtained. It was found that the fusion protein existed in E. coli mainly as inclusion bodies. The bioinformatics analysis indicates that LCN61 is C2H2 type zinc-finger protein containing four C2H2 zinc-finger motifs. This work provides a theory for functional research of lcn61 gene.

  14. Tribological behavior and self-healing functionality of TiNbCN-Ag coatings in wide temperature range

    Energy Technology Data Exchange (ETDEWEB)

    Bondarev, A.V., E-mail: abondarev88@gmail.com; Kiryukhantsev-Korneev, Ph.V.; Levashov, E.A.; Shtansky, D.V., E-mail: shtansky@shs.misis.ru

    2017-02-28

    Highlights: • TiNbCN–Ag coatings for wide temperature range tribological applications. • Alloying with Nb and Ag improve tribological properties and oxidation resistance. • Ag-rich TiNbCN coatings show friction coefficient below 0.45 in range of 25–700 °C. • Ag-doped coatings show active oxidation protection and self-healing functionality. - Abstract: Ag- and Nb-doped TiCN coatings with about 2 at.% of Nb and Ag contents varied between 4.0 and 15.1 at.% were designed as promising materials for tribological applications in a wide temperature range. We report on the structure, mechanical, and tribological properties of TiNbCN-Ag coatings fabricated by simultaneous co-sputtering of TiC{sub 0.5} + 10%Nb{sub 2}C and Ag targets in comparison with those of Ag-free coating. The tribological characteristics were evaluated during constant-temperature tests both at room temperature and 300 °C, as well as during dynamic temperature ramp tests in the range of 25–700 °C. The coating structure and elemental composition were studied by means of X-ray diffraction, scanning and transmission electron microscopy, and glow discharge optical emission spectroscopy. The coating microstructures and elemental compositions inside wear tracks, as well as the wear products, were examined by scanning electron microscopy, energy-dispersive spectroscopy, and Raman spectroscopy. We demonstrate that simultaneous alloying with Nb and Ag permits to overcome the main drawbacks of TiCN coatings such as their relatively high values of friction coefficient at elevated temperatures and low oxidation resistance. It is shown that a relatively high amount of Ag (15 at.%) is required to provide enhanced tribological behavior in a wide temperature range of 25–700 °C. In addition, the prepared Ag-doped coatings demonstrated active oxidation protection and self-healing functionality due to the segregation of Ag metallic particles in damage areas such as cracks, pin-holes, or oxidation sites.

  15. Structure, tribological and electrochemical properties of low friction TiAlSiCN/MoSeC coatings

    Science.gov (United States)

    Bondarev, A. V.; Kiryukhantsev-Korneev, Ph. V.; Sheveyko, A. N.; Shtansky, D. V.

    2015-02-01

    The present paper is focused on the development of hard tribological coatings with low friction coefficient (CoF) in different environments (humid air, distilled water) and at elevated temperatures. TiAlSiCN/MoSeC coatings were deposited by magnetron sputtering of four-segment targets consisting of quarter circle TiAlSiCN segments, obtained by self-propagating high-temperature synthesis, and one or two cold pressed segments made of MoSe2 and C powders in a ratio 1:1 wt%. The structure and phase composition of coatings were investigated by means of X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy. The coatings were characterized in terms of their hardness, elastic modulus, and elastic recovery. The tribological properties of coatings were investigated first at room temperature against Al2O3 and WC-Co balls, after which studied in distilled water and during continuous heating in air in the temperature range of 25-400 °C against Al2O3 counterpart material. To evaluate their electrochemical characteristics, the coatings were tested in 1 N H2SO4 solution. The obtained results show that the coating hardness depends on the amount of MoSeC additives and decreased from 40 to 28 (one MoSeC segment) and 12 GPa (two MoSeC segments). Doping with MoSeC resulted in a significant reduction of CoF values measured in humid air (RH 60 ± 5%) from 0.8-0.9 to 0.05 and an increase of wear resistance by one or two orders of magnitude depending on counterpart material. This was attributed to the presence of MoSe2 and free carbon-based phases in the tribological contact. The TiAlSiCN/MoSeC coating with a maximal amount of MoSeC also demonstrated superior tribological characteristics in distilled water (CoF ∼ 0.1) and at moderate temperatures up to 300 °C (CoF < 0.1). The electrochemical tests showed that, in general, doping with MoSeC did not negatively affect the coating electrochemical behavior. On the contrary, the Mo

  16. Interlayer transport in the organic superconductor κ-(BEDT-TTF)2Cu[N(CN)2]Br

    International Nuclear Information System (INIS)

    Zuo, F.; Su, X.; Alexandrakis, G.C.

    1997-01-01

    Interlayer magnetoresistance as a function of field and temperature with fields parallel and perpendicular to current direction in the organic superconductor κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Br was measured. For H parallel I, the isothermal magnetoresistance R(H) displays a peak effect as a function of field. For H perpendicular I, R(H) increases monotonically with field. Comparison of the peak field with the H c2 (T) data suggests that the peak in R(H) occurs in the mixed state. We analyze the data in terms of the resistively shunted Josephson junction model and the density of states fluctuation model

  17. In-Situ Measurements of HCN and CH3CN in the Pacific Troposphere: Sources, Sinks, and Comparisons with Spectroscopic Observations

    Science.gov (United States)

    Singh, Hanwant B.; Salas, L.; Herlth, D.; Czech, E.; Viezee, W.; Li, Q.; Jacob, D. J.; Blake, D.; Sachse, G.; Harward, C. N.; hide

    2002-01-01

    We report the first in-situ measurements of hydrogen cyanide (HCN) and acetonitrile (CH3CN) from the Pacific troposphere (0-12 km) obtained during the NASA/Trace-P mission (Feb.-April, 2001). Mean HCN and CH3CN mixing ratios of 243 (+/-118) ppt and 149 (+/-56) ppt respectively, were measured. The in-situ observations correspond to a total HCN column of 4.4-4.9 x 10(exp 15) molec. cm(exp -2) and a CH3CN column of 2.8-3.0 x 10(exp 15) molec. cm(exp -2). This HCN column is in good agreement with available spectroscopic observations. The atmospheric concentrations of HCN and CH3CN were greatly influenced by outflow of pollution from Asia. There is a linear relationship between the mixing ratios of HCN and CH3CN, and in turn these are well correlated with tracers of biomass combustion (e.g. CH3Cl, CO). Relative enhancements with respect to known tracers of biomass combustion within selected plumes in the free troposphere, and pollution episodes in the boundary layer allow an estimation of a global biomass burning source of 0.8+/-0.4 Tg (N)/y for HCN and 0.4+/-0.1 Tg (N)/y for CH3CN. In comparison, emissions from automobiles and industry are quite small (in the MBL (Marine Boundary Layer). Using, a simple box model, the observed gradients across the top of the MBL are used to derive an oceanic flux of 6.7 x 10(exp -15) g (N) cm(exp -2)/s for HCN and 4.8 x 10(exp -15) g (N) cm(exp -2)/s for CH3CN. An air-sea exchange model is used to conclude that this flux can be maintained if the oceans are under-saturated in HCN and CH3CN by 23% and 17%, respectively. It is inferred that oceanic loss is a dominant sink for these nitrites, and they deposit some 1.3 Tg (N) of nitrogen annually to the oceans. Assuming reaction with OH radicals and loss to the oceans as the major removal processes, a mean atmospheric residence time of 4.7 months for HCN and 5.1 months for CH3CN is calculated. A global budget analysis shows that the sources and sinks of HCN and CH3CN are roughly in balance

  18. JCE Feature Columns

    Science.gov (United States)

    Holmes, Jon L.

    1999-05-01

    The Features area of JCE Online is now readily accessible through a single click from our home page. In the Features area each column is linked to its own home page. These column home pages also have links to them from the online Journal Table of Contents pages or from any article published as part of that feature column. Using these links you can easily find abstracts of additional articles that are related by topic. Of course, JCE Online+ subscribers are then just one click away from the entire article. Finding related articles is easy because each feature column "site" contains links to the online abstracts of all the articles that have appeared in the column. In addition, you can find the mission statement for the column and the email link to the column editor that I mentioned above. At the discretion of its editor, a feature column site may contain additional resources. As an example, the Chemical Information Instructor column edited by Arleen Somerville will have a periodically updated bibliography of resources for teaching and using chemical information. Due to the increase in the number of these resources available on the WWW, it only makes sense to publish this information online so that you can get to these resources with a simple click of the mouse. We expect that there will soon be additional information and resources at several other feature column sites. Following in the footsteps of the Chemical Information Instructor, up-to-date bibliographies and links to related online resources can be made available. We hope to extend the online component of our feature columns with moderated online discussion forums. If you have a suggestion for an online resource you would like to see included, let the feature editor or JCE Online (jceonline@chem.wisc.edu) know about it. JCE Internet Features JCE Internet also has several feature columns: Chemical Education Resource Shelf, Conceptual Questions and Challenge Problems, Equipment Buyers Guide, Hal's Picks, Mathcad

  19. Engineering features of the INTOR conceptual design

    International Nuclear Information System (INIS)

    Shannon, T.E.

    1981-01-01

    The INTOR engineering design has been strongly influenced by considerations for assembly and maintenance. A maintenance philosophy was established at the outset of the conceptual design to insure that the tokamak configuration would be developed to accommodate maintenance requirements. The main features of the INTOR design are summarized in this paper with primary emphasis on the impact of maintenance considerations

  20. Writing Feature Articles with Intermediate Students

    Science.gov (United States)

    Morgan, Denise N.

    2010-01-01

    Students need regular opportunities to write expository text. However, focusing on report writing often leaves students without strong examples to study or analyze to guide and grow their own writing. Writing and studying feature articles, meant to inform and explain, can become an alternative to report writing, as they can easily be located in…

  1. Characterization by FTIR and nuclear analytical techniques of CN{sub x} films elaborated by laser ablation; Caracterizacion por FTIR y tecnicas analiticas nucleares de peliculas de CN{sub x} elaboradas por ablacion laser

    Energy Technology Data Exchange (ETDEWEB)

    Olea M, O.F

    2003-07-01

    At the present time the technique of deposit of laser ablation is used to produce different types of thin films. At the moment in the National Institute of Nuclear Research (ININ) it is carried out an investigation on the thermoluminescent response of thin films of CN{sub x} with possible application in dosimetry of electromagnetic radiation. Under this context, the present work is part of this investigation and has as objective to characterize thin films of CN{sub x} by means of Infrared spectrometry and nuclear analytical techniques. The deposits were elaborated by laser ablation under different such experimental conditions as: pressure of Nitrogen in the system (3 x 10{sup -3} and 7.5 X 10{sup -2} Torr), Distance target-substrate (3 and 5 cm) and density of incident energy in the target (from 17.5 up to 23.8 J/cm{sup 2}). Graphite of high purity was used like target and the deposits were made on their substrates of intrinsic silicon (100). By means of infrared spectrometry by Fourier Transform (Ftir) the type of bonds which are in the structure of the films of CN{sub x} were determined. The spectra of this type of samples present in general four characteristic bands related with different types of bonds among the elements C, O, H, N such as: C-C, C-N, C-H, N-H, O-H, C=N, C{identical_to}N, among others. It was carried out a semi quantitative study of the samples isolating each band of the total infrared spectra and making a comparison between their intensities and forms. This study allowed to observe that there is a dependence of the structure of the films with regard to the time, since mainly bonds of the type Sp{sup 3} between Hydrogen and Carbon (C-H) they presented a remarkable variation in intensity, increasing as it lapsed the time until reaching to a stabilization where the bonds already not varying. This increase probably is due to the absorption of water of the atmosphere, although one has seen in the literature that the incorporation of this compound in

  2. Boundary regularity of correspondences in Cn Cn Cn

    Indian Academy of Sciences (India)

    The branching locus σ of the projection π is a codimension one analytic set in D. Near each point in D \\ σ, there are finitely many well-defined holomorphic inverses of π. The symmetric functions of these inverses are globally well-defined holomorphic functions on. D. To say that ˆf is continuous up to ∂D simply means that ...

  3. PEMANFAATAN FESES BABI (Sus sp. SEBAGAI SUMBER GAS BIO DENGAN PENAMBAHAN AMPAS SAGU (Metroxylon spp. PADA TARAF RASIO C/N YANG BERBEDA

    Directory of Open Access Journals (Sweden)

    Daniel Yohanis Seseray

    2013-03-01

    Full Text Available Penelitian ini bertujuan untuk mengetahui produksi gas bio dari campuran substrat feses babi dan limbah ampas sagu dengan perlakuan waktu retensi dan taraf rasio C/N yang berbeda yang meliputi temperatur digester, volume gas bio, konsentrasi gas metan dan produksi gas metan, nilai pH, dan produksi VFA. Penelitian dilaksanakan selama 3 bulan bertempat di Desa Sidomulyo, Yogyakarta. Materi yang digunakan adalah 27 unit digester dengan substrat campuran feses babi, ampas sagu, air, dan cairan rumen sebagai inokulum. Data yang diperoleh dianalisis dengan analisis variansi pola split plot dan dilanjutkan dengan uji Duncan’s new Multiple Range Test (DMRT untuk mengetahui perbedaan antara nilai rata-rata. Data volume gas bio, konsentrasi dan produksi gas metan pada perlakuan C/N 20, 25, dan 30 berturut-turut volume gas bio 0,048; 0,049; 0,043 ml, dan konsentrasi metan 12,14; 11,08; 5,39%, serta produksi gas metan 0,0058; 0,0055; dan 0,0023 ml, ini menunjukkan bahwa produksi gas bio yang dihasilkan tidak optimal karena pH dan suhu digester juga tidak optimal yaitu rata-rata berkisar antara 5,8-7,0 dan 26,06-29,78oC. Produksi asam lemak volatil (asam asetat, propionat dan butirat meningkat pada waktu retensi hari ke-20 dan menurun hari ke-30, pada taraf rasio C/N 20 produksi lebih tinggi di banding taraf rasio C/N 25 dan C/N 30. Disimpulkan bahwa penambahan ampas sagu pada feses babi sebagai substrat gas bio pada taraf rasio C/N 20 menghasilkan produksi gas bio yang paling baik. (Kata kunci: Produksi gas bio, Feses babi, Ampas sagu, rasio C/N

  4. On the development of a coupled regional climate-vegetation model RCM-CLM-CN-DV and its validation in Tropical Africa

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Guiling [Univ. of Connecticut, Storrs, CT (United States); Yu, Miao [Univ. of Connecticut, Storrs, CT (United States); Pal, Jeremy [Loyola Marymount Univ., Los Angeles, CA (United States); Mei, Rui [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Connecticut, Storrs, CT (United States); Bonan, Gordon [National Center for Atmospheric Research, Boulder, CO (United States); Levis, Sam [National Center for Atmospheric Research, Boulder, CO (United States); Thornton, Peter E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-04-24

    This paper presents a regional climate system model RCM-CLM-CN-DV and its validation over Tropical Africa. The model development involves the initial coupling between the ICTP regional climate model RegCM4.3.4 (RCM) and the Community Land Model version 4 (CLM4) including models of carbon-nitrogen dynamics (CN) and vegetation dynamics (DV), and further improvements of the models. Model improvements derive from the new parameterization from CLM4.5 that addresses the well documented overestimation of gross primary production (GPP), a refinement of stress deciduous phenology scheme in CN that addresses a spurious LAI fluctuation for drought-deciduous plants, and the incorporation of a survival rule into the DV model to prevent tropical broadleaf evergreens trees from growing in areas with a prolonged drought season. The impact of the modifications on model results is documented based on numerical experiments using various subcomponents of the model. The performance of the coupled model is then validated against observational data based on three configurations with increasing capacity: RCM-CLM with prescribed leaf area index and fractional coverage of different plant functional types (PFTs); RCM-CLM-CN with prescribed PFTs coverage but prognostic plant phenology; RCM-CLM-CN-DV in which both the plant phenology and PFTs coverage are simulated by the model. Results from these three models are compared against the FLUXNET up-scaled GPP and ET data, LAI and PFT coverages from remote sensing data including MODIS and GIMMS, University of Delaware precipitation and temperature data, and surface radiation data from MVIRI and SRB. Our results indicate that the models perform well in reproducing the physical climate and surface radiative budgets in the domain of interest. However, PFTs coverage is significantly underestimated by the model over arid and semi-arid regions of Tropical Africa, caused by an underestimation of LAI in these regions by the CN model that gets exacerbated

  5. Formation of hydroxyacetonitrile (HOCH2CN) and polyoxymethylene (POM)-derivatives in comets from formaldehyde (CH2O) and hydrogen cyanide (HCN) activated by water.

    Science.gov (United States)

    Danger, Grégoire; Rimola, Albert; Abou Mrad, Ninette; Duvernay, Fabrice; Roussin, Gaël; Theule, Patrice; Chiavassa, Thierry

    2014-02-28

    Studying chemical reactivity is an important way to improve our understanding of the origin of organic matter in astrophysical environments such as molecular clouds, protoplanetary disks, and possibly, as a final destination, in our solar system bodies such as in comets. Laboratory simulations on the reactivity of ice analogs can provide important insights into this complex reactivity. Here, the role of water as a catalytic agent is investigated under the conditions of simulated interstellar and cometary grains in the formation of complex organic molecules: the hydroxyacetonitrile (HOCH2CN) and formaldehyde polymers (polyoxymethylene POM). Using infrared spectroscopy and mass spectrometry, we show that HCN reacts with CH2O only in the presence of H2O, whereas in the absence of H2O, HCN is not sufficiently reactive to promote this reaction. Furthermore, depending on the dilution of CH2O and HCN in the water matrix, 1-cyanopolyoxymethylene polymers can also be formed (H-(O-CH2)n-CN, POM-CN), as confirmed by mass spectrometry using the HC(15)N isotopologue. Moreover, quantum chemical calculations allowed us to suggest mechanistic proposals for these reactions, the first step being the activation of HCN by water forming H3O(+) and CN(-), which subsequently condense on a neighbouring CH2O promoting the formation of (-)OCH2CN. Once (-)OCH2CN is formed, it can either recover a proton by reacting with H3O(+) or condense on CH2O molecules leading to POM-CN structures. Implications of this work for the forthcoming Rosetta mission are also addressed.

  6. Atoms and clusters in strong laser fields

    NARCIS (Netherlands)

    Marchenko, T.

    2008-01-01

    This thesis describes experimental and theoretical studies on the interaction of strong infrared laser fields with atoms and atomic clusters. Part I provides an overview of the main strong-field phenomena in atoms, molecules and clusters and describes the state-of-the-art in strong-field science.

  7. Strong Bisimilarity of Simple Process Algebras

    DEFF Research Database (Denmark)

    Srba, Jirí

    2003-01-01

    We study bisimilarity and regularity problems of simple process algebras. In particular, we show PSPACE-hardness of the following problems: (i) strong bisimilarity of Basic Parallel Processes (BPP), (ii) strong bisimilarity of Basic Process Algebra (BPA), (iii) strong regularity of BPP, and (iv) ...

  8. 78 FR 15710 - Strong Sensitizer Guidance

    Science.gov (United States)

    2013-03-12

    ... definition of ``strong sensitizer'' found at 16 CFR 1500.3(c)(5). The Commission is proposing to revise the supplemental definition of ``strong sensitizer'' due to advancements in the science of sensitization that have... document is intended to clarify the ``strong sensitizer'' definition, assist manufacturers in understanding...

  9. New features in MEDM

    International Nuclear Information System (INIS)

    Evans, K. Jr.

    1999-01-01

    MEDM, which is derived from Motif Editor and Display Manager, is the primary graphical interface to the EPICS control system. This paper describes new features that have been added to MEDM in the last two years. These features include new editing capabilities, a PV Info dialog box, a means of specifying limits and precision, a new implementation of the Cartesian Plot, new features for several objects, new capability for the Related Display, help, a user-configurable Execute Menu, reconfigured start-up options, and availability for Windows 95/98/NT. Over one hundred bugs have been fixed, and the program is quite stable and in extensive use

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

    Directory of Open Access Journals (Sweden)

    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.

  11. Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

    Energy Technology Data Exchange (ETDEWEB)

    Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

    1980-01-01

    The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf.

  12. Polymer-derived-SiCN ceramic/graphite composite as anode material with enhanced rate capability for lithium ion batteries

    Science.gov (United States)

    Graczyk-Zajac, M.; Fasel, C.; Riedel, R.

    2011-08-01

    We report on a new composite material in view of its application as a negative electrode in lithium-ion batteries. A commercial preceramic polysilazane mixed with graphite in 1:1 weight ratio was transformed into a SiCN/graphite composite material through a pyrolytic polymer-to-ceramic conversion at three different temperatures, namely 950 °C, 1100 °C and 1300 °C. By means of Raman spectroscopy we found successive ordering of carbon clusters into nano-crystalline graphitic regions with increasing pyrolysis temperature. The reversible capacity of about 350 mAh g-1 was measured with constant current charging/discharging for the composite prepared at 1300 °C. For comparison pure graphite and pure polysilazane-derived SiCN ceramic were examined as reference materials. During fast charging and discharging the composite material demonstrates enhanced capacity and stability. Charging and discharging in half an hour lead to about 200 and 10 mAh g-1, for the composite annealed at 1300 °C and pure graphite, respectively. A clear dependence between the final material capacity and pyrolysis temperature is found and discussed with respect to possible application in batteries, i.e. practical discharging potential limit. The best results in terms of capacity recovered under 1 V and high rate capability were also obtained for samples synthesized at 1300 °C.

  13. Effect of varying nitrogen flow rates on the optical properties of amorphous-SiCN thin films

    Science.gov (United States)

    Rahman, Mohd Azam Abdul; Tong, Goh Boon; Mahmood, Mohamad Rusop; Siong, Chiu Wee; Yian, Haw Choon; Rahman, Saadah Abdul

    2016-11-01

    Series of amorphous silicon carbon nitride (a-SiCN) films are synthesized using RF-PECVD technique on glass and silicon substrates from precursor gas of silane, methane and nitrogen. In this work, the change in nitrogen flow rate from 0 sccm to 50 sccm is a mean used to vary the elemental composition and bonding properties which lead to change in optical properties. The films thickness varies between 327 nm to 944 nm. The changes for the stated properties are discussed against the change in the stated nitrogen flow rate. The optical properties are investigated by means of UV-VIS spectroscopy in the wavelength range of 190 nm to 2500 nm. The transmittance of the films at ultra-violet wavelength is found to increases with increase in nitrogen flow rate. The index of refraction, n obtained for SiCN films from transmittance and reflectance measurements is lower compared to SiC films. The films optical band gap increases from 1.74 eV to 2.08 eV before it decreases to 1.89 eV as nitrogen flow rate increases from 0 to 50 sccm. The optical dispersion parameters were determined according to Wemple and Didomenico method.

  14. Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN.

    Science.gov (United States)

    Bao, Jie J; Gagliardi, Laura; Truhlar, Donald G

    2017-11-15

    Multiconfiguration pair-density functional theory (MC-PDFT) is a post multiconfiguration self-consistent field (MCSCF) method with similar performance to complete active space second-order perturbation theory (CASPT2) but with greater computational efficiency. Cyano radical (CN) is a molecule whose spectrum is well established from experiments and whose excitation energies have been used as a testing ground for theoretical methods to treat excited states of open-shell systems, which are harder and much less studied than excitation energies of closed-shell singlets. In the present work, we studied the adiabatic excitation energies of CN with MC-PDFT. Then we compared this multireference (MR) method to some single-reference (SR) methods, including time-dependent density functional theory (TDDFT) and completely renormalized equation-of-motion coupled-cluster theory with singles, doubles and noniterative triples [CR-EOM-CCSD(T)]; we also compared to some other MR methods, including configuration interaction singles and doubles (MR-CISD) and multistate CASPT2 (MS-CASPT2). Through a comparison between SR and MR methods, we achieved a better appreciation of the need to use MR methods to accurately describe higher excited states, and we found that among the MR methods, MC-PDFT stands out for its accuracy for the first four states out of the five doublet states studied this paper; this shows its efficiency for calculating doublet excited states.

  15. Hydrogen Storage Properties of Metal Nitroprussides M[Fe(CN)5NO], (M = Co, Ni)

    Energy Technology Data Exchange (ETDEWEB)

    Culp, J T; Matranga, C S; Smith, M; Bittner, E W; Bockrath, B C

    2006-04-27

    The volumetric hydrogen adsorption isotherms of two isostructural dehydrated cubic metal nitroprussides M[Fe(CN)5NO] (M = Co2+, Ni2+) have been measured up to a pressure of 760 Torr at 77 and 87 K. These materials are among the most efficient H2 sorbents based on porous coordination polymers reported to date. The H2 uptake in both materials is ~1.6 wt % at 77 K and 760 torr. These H2 capacities match those reported recently in the structurally related M3[Co(CN)6]2 compounds and are approximately 25% higher than those reported for Zn4O(1,4-benzenedicarboxylate)3 under the same conditions of temperature and pressure. The isosteric heats of H2 adsorption calculated from the 77 and 87 K isotherms for both materials were found to vary from ~7.5 kJ/mol at 0.40 wt % coverage to ~5.5 kJ/mol at 1.2 wt % coverage. The N2 BET surface areas were determined to be 634 m2/g and 523 m2/g for M = Ni and M = Co, respectively.

  16. Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

    International Nuclear Information System (INIS)

    Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

    1980-01-01

    The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf

  17. Iron monocyanide (FeCN): Spin-orbit and vibronic interactions in low-lying electronic states

    Science.gov (United States)

    Jerosimić, Stanka V.; Milovanović, Milan Z.

    2018-04-01

    The spin-orbit eigenvalues of low-energy quartet and sextet spatially degenerate electronic states of FeCN are reported, together with the combined effect of vibronic and spin-orbit interaction in the lowest-lying 14Δ and 16Δ states of FeCN, by using perturbational and variational method. Spin-orbit constants (ASO) have been calculated in the basis of: (a) two components of each degenerate state, (b) four components of 14Δ and 14Π (16Δ and 16Π) states, and (c) ten components of 16Δ, 16Π, 16Σ+, 14Δ, 14Π, and 14Σ+ states. The present calculations predict the values of ASO= -77 cm-1 for 16Δ and ASO= -108 cm-1 for 14Δ state in the lowest-energy spin-orbit manifolds of each state. The major perturbing state for the 14Δ state is the 14Π state (16Π for the sextet 16Δ). As expected, based on extremely small splitting and shallowness of the bending potential energy curves for the lowest-lying 4,6Δ states, the present study indicate that the vibronic coupling does not create significant splitting of the bending levels, but the influence of anharmonicity in the bending mode is more pronounced. However, the spin-orbit fine structure dominantly influences the spectra of this species.

  18. Enhanced nitrogen removal of low C/N domestic wastewater using a biochar-amended aerated vertical flow constructed wetland.

    Science.gov (United States)

    Zhou, Xu; Wang, Xuezhen; Zhang, Hai; Wu, Haiming

    2017-10-01

    Recently, vertical flow constructed wetlands (VFCWs) with intermittent aeration have been proven as an efficient technology to enhance removal efficiency of organics and nitrogen for wastewater treatment. However, the low denitrification effect in VFCWs was a problem for treating low carbon source wastewater. In this study, intermittent aeration and biochar, produced by biomass pyrolysis, was used to promote the nitrogen removal in VFCWs for low C/N domestic wastewater. Four systems, including non-aerated with non-biochar VFCW, non-aerated with biochar VFCW, aerated with non-biochar VFCW and aerated with biochar VFCW, were conducted for comparing their treatment performances. The results showed that much higher removal of COD (94.9%), NH 4 + -N (99.1%), TN (52.7%) and lower N 2 O emission (60.54μg·m -2 ·h -1 ) was obtained in aerated VFCW with biochar addition. The results suggested that adding biochar to intermittent aerated VFCWs could be an effective and appropriate strategy for low C/N wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. 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.

  20. SARS – clinical features

    Indian Academy of Sciences (India)

    SARS – clinical features. Fever - > 38C; Respiratory symptoms, eg cough, difficulty in breathing; OR; Unexplained respiratory distress leading to death; AND; Close contact or travel to Asia within 10 days of onset of illness.

  1. Volcanic features of Io

    Science.gov (United States)

    Carr, M.H.; Masursky, H.; Strom, R.G.; Terrile, R.J.

    1979-01-01

    Volcanic activity is apparently higher on Io than on any other body in the Solar System. Its volcanic landforms can be compared with features on Earth to indicate the type of volcanism present on Io. ?? 1979 Nature Publishing Group.

  2. Coloring local feature extraction

    OpenAIRE

    Van De Weijer, Joost; Schmid, Cordelia

    2006-01-01

    International audience; Although color is commonly experienced as an indispensable quality in describing the world around us, state-of-the art local feature-based representations are mostly based on shape description, and ignore color information. The description of color is hampered by the large amount of variations which causes the measured color values to vary significantly. In this paper we aim to extend the description of local features with color information. To accomplish a wide applic...

  3. Feature selection toolbox

    Czech Academy of Sciences Publication Activity Database

    Somol, Petr; Pudil, Pavel

    2002-01-01

    Roč. 35, č. 12 (2002), s. 2749-2759 ISSN 0031-3203 R&D Projects: GA MŠk ME 187; GA ČR GA402/01/0981 Institutional research plan: CEZ:AV0Z1075907 Keywords : pattern recognition * feature selection * subset search Subject RIV: JC - Computer Hardware ; Software Impact factor: 1.038, year: 2002 http://library.utia.cas.cz/separaty/historie/somol- feature selection toolbox.pdf

  4. Feature Binding in Zebrafish

    Directory of Open Access Journals (Sweden)

    P Neri

    2012-07-01

    Full Text Available Binding operations are primarily ascribed to cortex or similarly complex avian structures. My experiments show that the zebrafish, a lower vertebrate lacking cortex, supports visual feature binding of form and motion for the purpose of social behavior. These results challenge the notion that feature binding may require highly evolved neural structures and demonstrate that the nervous system of lower vertebrates can afford unexpectedly complex computations.

  5. Application of strong phosphoric acid to radiochemistry

    International Nuclear Information System (INIS)

    Terada, Kikuo

    1977-01-01

    Not only inorganic and organic compounds but also natural substrances, such as accumulations in soil, are completely decomposed and distilled by heating with strong phosphoric acid for 30 to 50 minutes. As applications of strong phosphoric acid to radiochemistry, determination of uranium and boron by use of solubilization effect of this substance, titration of uranyl ion by use of sulfuric iron (II) contained in this substance, application to tracer experiment, and determination of radioactive ruthenium in environmental samples are reviewed. Strong phosphoric acid is also applied to activation analysis, for example, determination of N in pyrographite with iodate potassium-strong phosphoric acid method, separation of Os and Ru with sulfuric cerium (IV) - strong phosphoric acid method or potassium dechromate-strong phosphoric acid method, analysis of Se, As and Sb rocks and accumulations with ammonium bromide, sodium chloride and sodium bromide-strong phosphoric acid method. (Kanao, N.)

  6. Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine2(CN2

    Directory of Open Access Journals (Sweden)

    Kasper S. Kjær

    2017-07-01

    Full Text Available We have used femtosecond resolution UV-visible and Kβ x-ray emission spectroscopy to characterize the electronic excited state dynamics of [Fe(bpy2(CN2], where bpy=2,2′-bipyridine, initiated by metal-to-ligand charge transfer (MLCT excitation. The excited-state absorption in the transient UV-visible spectra, associated with the 2,2′-bipyridine radical anion, provides a robust marker for the MLCT excited state, while the transient Kβ x-ray emission spectra provide a clear measure of intermediate and high spin metal-centered excited states. From these measurements, we conclude that the MLCT state of [Fe(bpy2(CN2] undergoes ultrafast spin crossover to a metal-centered quintet excited state through a short lived metal-centered triplet transient species. These measurements of [Fe(bpy2(CN2] complement prior measurement performed on [Fe(bpy3]2+ and [Fe(bpy(CN4]2− in dimethylsulfoxide solution and help complete the chemical series [Fe(bpyN(CN6–2N]2N-4, where N = 1–3. The measurements confirm that simple ligand modifications can significantly change the relaxation pathways and excited state lifetimes and support the further investigation of light harvesting and photocatalytic applications of 3d transition metal complexes.

  7. Copper (I) Selenocyanate (CuSeCN) as a Novel Hole-Transport Layer for Transistors, Organic Solar Cells, and Light-Emitting Diodes

    KAUST Repository

    Wijeyasinghe, Nilushi

    2018-02-01

    The synthesis and characterization of copper (I) selenocyanate (CuSeCN) and its application as a solution-processable hole-transport layer (HTL) material in transistors, organic light-emitting diodes, and solar cells are reported. Density-functional theory calculations combined with X-ray photoelectron spectroscopy are used to elucidate the electronic band structure, density of states, and microstructure of CuSeCN. Solution-processed layers are found to be nanocrystalline and optically transparent (>94%), due to the large bandgap of ≥3.1 eV, with a valence band maximum located at −5.1 eV. Hole-transport analysis performed using field-effect measurements confirms the p-type character of CuSeCN yielding a hole mobility of 0.002 cm2 V−1 s−1. When CuSeCN is incorporated as the HTL material in organic light-emitting diodes and organic solar cells, the resulting devices exhibit comparable or improved performance to control devices based on commercially available poly(3,4-ethylenedioxythiophene):polystyrene sulfonate as the HTL. This is the first report on the semiconducting character of CuSeCN and it highlights the tremendous potential for further developments in the area of metal pseudohalides.

  8. Comment on "Beyond the SCS-CN method: A theoretical framework for spatially lumped rainfall-runoff response" by M. S. Bartlett et al.

    Science.gov (United States)

    Ogden, Fred L.; Hawkins, Richard Pete; Walter, M. Todd; Goodrich, David C.

    2017-07-01

    Bartlett et al. (2016) performed a re-interpretation and modification of the space-time lumped USDA NRCS (formerly SCS) Curve Number (CN) method to extend its applicability to forested watersheds. We believe that the well documented limitations of the CN method severely constrains the applicability of the modifications proposed by Bartlett et al. (2016). This forward-looking comment urges the research communities in hydrologic science and engineering to consider the CN method as a stepping stone that has outlived its usefulness in research. The CN method fills a narrow niche in certain settings as a parsimonious method having utility as an empirical equation to estimate runoff from a given amount of rainfall, which originated as a static functional form that fits rainfall-runoff data sets. Sixty five years of use and multiple reinterpretations have not resulted in improved hydrological predictability using the method. We suggest that the research community should move forward by (1) identifying appropriate dynamic hydrological model formulations for different hydro-geographic settings, (2) specifying needed model capabilities for solving different classes of problems (e.g., flooding, erosion/sedimentation, nutrient transport, water management, etc.) in different hydro-geographic settings, and (3) expanding data collection and research programs to help ameliorate the so-called "overparameterization" problem in contemporary modeling. Many decades of advances in geo-spatial data and processing, computation, and understanding are being squandered on continued focus on the static CN regression method. It is time to truly "move beyond" the Curve Number method.

  9. Fe{sub 2}O{sub 3} core-NaCo[Fe(CN){sub 6}] shell nanoparticles-Synthesis and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Heli, H., E-mail: hheli7@yahoo.com [Department of Chemistry, Islamic Azad University, Fars Science and Research Branch, P.O. Box 73715-181, Marvdasht (Iran, Islamic Republic of); Young Researchers Club, Islamic Azad University, Fars Science and Research Branch, Marvdasht (Iran, Islamic Republic of); Majdi, S. [Laboratory of Analytical and Physical Electrochemistry, Department of Chemistry, K.N. Toosi University of Technology, Tehran (Iran, Islamic Republic of); Sattarahmady, N. [Department of Biochemistry, Shiraz University of Medical Sciences, Shiraz (Iran, Islamic Republic of)

    2010-07-15

    A facile precipitation route was developed for the synthesis of cobalt hexacyanoferrate (CoHCF) as a thin shell around cores of nanoparticles of iron(III) oxide, forming nanoparticles of iron(III) oxide@CoHCF (n-Fe{sub 2}O{sub 3}@NaCo[Fe(CN){sub 6}]). The morphology and structure of the as-prepared n-Fe{sub 2}O{sub 3}@NaCo[Fe(CN){sub 6}] were characterized by the techniques of electron microscopies, X-ray diffraction measurements, X-ray photoelectron spectroscopy, infrared spectroscopy and thermogravimetry. Carbon composite electrodes of n-Fe{sub 2}O{sub 3}@NaCo[Fe(CN){sub 6}] were prepared and the electrochemical behavior of the nanoparticles was evaluated using cyclic voltammetry. The redox couples of n-Fe{sub 2}O{sub 3}@NaCo[Fe(CN){sub 6}] were investigated and the diffusion coefficients of counter cation in the shell of CoHCF were obtained. The effect of size of particles and the structure of CoHCF was also evaluated. n-Fe{sub 2}O{sub 3}@NaCo[Fe(CN){sub 6}] represented prominent electrocatalytic activity toward the oxidation of some biologically active compounds.

  10. cnāves masku veidošanas tradīcija Latvijas teritorijā (1919-2001)

    OpenAIRE

    Klabere, Līva

    2014-01-01

    Maģistra darba „Pēcnāves masku veidošanas tradīcija Latvijas teritorijā (1919.g. – 2001.g.)” mērķis ir izpētīt pēcnāves masku veidošanas tradīcijas izpausmes Latvijas teritorijā laika posmā no 1919. līdz 2001. gadam. Darbā apskatīta pēcnāves masku veidošanas vēsture pasaules kontekstā un tradīcijas izpausmes Latvijas teritorijā pētāmajā laika posmā – pēcnāves masku izgatavotāji, izgatavošanas tehnika un vizuālais noformējums, cilvēki, kuriem tikušas veidotas pēcnāves maskas. Pētījumā secināts...

  11. Theoretical study of the decomposition mechanism of environmentally friendly insulating medium C3F7CN in the presence of H2O in a discharge

    Science.gov (United States)

    Zhang, Xiaoxing; Li, Yi; Xiao, Song; Tian, Shuangshuang; Deng, Zaitao; Tang, Ju

    2017-08-01

    C3F7CN has been the focus of the alternative gas research field over the past two years because of its excellent insulation properties and environmental characteristics. Experimental studies on its insulation performance have made many achievements. However, few studies on the formation mechanism of the decomposition components exist. A discussion of the decomposition characteristics of insulating media will provide guidance for scientific experimental research and the work that must be completed before further engineering application. In this study, the decomposition mechanism of C3F7CN in the presence of trace H2O under discharge was calculated based on the density functional theory and transition state theory. The reaction heat, Gibbs free energy, and activation energy of different decomposition pathways were investigated. The ionization parameters and toxicity of C3F7CN and various decomposition products were analyzed from the molecular structure perspective. The formation mechanism of the C3F7CN discharge decomposition components and the influence of trace water were evaluated. This paper confirms that C3F7CN has excellent decomposition characteristics, which provide theoretical support for later experiments and related engineering applications. However, the existence of trace water has a negative impact on C3F7CN’s insulation performance. Thus, strict trace water content standards should be developed to ensure dielectric insulation and the safety of maintenance personnel.

  12. Strong quadrupole interaction in electron paramagnetic resonance. Study of the indium hexacyanide (III) in KCl irradiated with electrons

    International Nuclear Information System (INIS)

    Vugman, N.V.

    1973-08-01

    The radiation effects in ]Ir III (CN) 6 ] 3- diamagnetic complexe inserted in the KCl lattice and irradiated with electrons of 2MeV by electron spin resonance (ESR) are analysed. Formulas for g and A tensors in the ligand field approximation, are derivated to calculate non coupling electron density in the metal. The X polarization field of inner shells is positive, indicating a 6s function mixture in the non coupling electron molecular orbital. The observed hyperfine structure is assigned to 4 equivalent nitrogen and one non equivalent nitrogen. This hypothesis is verified by experience of isotope substitution with 15 N. The s and p spin density in ligands are calculated and discussed in terms of molecular obitals. The effects of strong quadrupole interaction into the EPR spectra of ]Ir II (CN) 5 ] 3- complex are analysed by MAGNSPEC computer program to diagonalize the Spin Hamiltonian of the system. Empiric rules for EPR espectrum interpretation with strong quadrupole interaction. A review of EPR technique and a review of main concepts of crystal-field and ligand field theories, are also presented. (M.C.K.) [pt

  13. Epidemiologic Features of Admitted Patients with Infectious Diseases in Qom

    Directory of Open Access Journals (Sweden)

    Habibi Nejad HA

    2012-05-01

    Full Text Available

    <strong>Background and Objectives:strong>> strong>Despite decades of dramatic progress in their treatment and prevention, infectious diseases remain a major cause of death and debility responsible for worsening the living conditions of millions of people around the world. This study was conducted to determine the epidemiologic features of patients admitted with infectious disases at Kamkar Hospital in Qom.

     

    <strong>Methods:> strong>A routine data base study was carried out to obtain relevant data from medical records of patients admitted with infectious diseases at the Kamkar Hospital during summer 2007. The epidemiologic features of patients were obtained and analyzed using chi-square, t-test and Mann Whitney statistical tests.<strong>strong>

     

    <strong>Results:> Out of 2907 admitted cases at the Kamkar hospital 331 (11.3% pertained to infectious diseases.<strong>>

    The most frequent infections were urinary tract infection, septicemia and pneumonia; 61cases (18.4%, 48cases (14.5% and 45cases (13.6%, respectively.

    The most common involved systems were respiratory tract and urogenital tract, with each one having 73cases (22.05%.

     

    <strong>Conclusion:> strong>This study confirms the continuing importance of infectious diseases especially urinary tract infection, septicemia and pneumonia in Qom, which requires more research to be done to better identify their epidemiology and pathogenesis. <strong>>

  14. Orbital responses to methyl sites in CnH2n+2 (n = 16)

    International Nuclear Information System (INIS)

    Yang Ze-Jin; Cheng Xin-Lu; Zhu Zheng-He; Yang Xiang-Dong

    2012-01-01

    Orbital responses to methyl sites in C n H 2n+2 (n = 1–6) are studied by B3LYP/TZVP based on the most stable geometries using the B3LYP/aug-cc-pVTZ method. Vertical ionization energies are produced using the SAOP/et-pVQZ model for the complete valence space. The highest occupied molecular orbital (HOMO) investigations indicate the p-electron profiles in methane, ethane, propane, and n-butane. By increasing the number of carbon—carbon bonds in lower momentum regions, the s, p-hybridized orbitals are built and display strong exchange and correlation interactions in lower momentum space (P ≲ 0.50 a.u.). Meanwhile, the relative intensities of the isomers in lower momentum space show the strong bonding number dependence of the carbon—carbon bonds, meaning that more electrons have contributed to orbital construction. The study of representative valence orbital momentum distribution further confirms that the structural changes lead to evident electronic rearrangement over the whole valence space. An analysis based on the isomers reveals that the valence orbitals are isomer-dependent and the valence ionization energy experiences an apparent shift in the inner valence space. However, such shifts are greatly reduced in the outer valence space. Meanwhile, the opposite energy shift trend is found in the intermediate valence space. (rapid communication)

  15. Elderly fall detection using SIFT hybrid features

    Science.gov (United States)

    Wang, Xiaoxiao; Gao, Chao; Guo, Yongcai

    2015-10-01

    With the tendency of aging society, countries all over the world are dealing with the demographic change. Fall had been proven to be of the highest fatality rate among the elderly. To realize the elderly fall detection, the proposed algorithm used the hybrid feature. Based on the rate of centroid change, the algorithm adopted VEI to offer the posture feature, this combined motion feature with posture feature. The algorithm also took advantage of SIFT descriptor of VEI(V-SIFT) to show more details of behaviors with occlusion. An improved motion detection method was proposed to improve the accuracy of front-view motion detection. The experimental results on CASIA database and self-built database showed that the proposed approach has high efficiency and strong robustness which effectively improved the accuracy of fall detection.

  16. MCNP4A: Features and philosophy

    International Nuclear Information System (INIS)

    Hendricks, J.S.

    1993-01-01

    This paper describes MCNP, states its philosophy, introduces a number of new features becoming available with version MCNP4A, and answers a number of questions asked by participants in the workshop. MCNP is a general-purpose three-dimensional neutron, photon and electron transport code. Its philosophy is ''Quality, Value and New Features.'' Quality is exemplified by new software quality assurance practices and a program of benchmarking against experiments. Value includes a strong emphasis on documentation and code portability. New features are the third priority. MCNP4A is now available at Los Alamos. New features in MCNP4A include enhanced statistical analysis, distributed processor multitasking, new photon libraries, ENDF/B-VI capabilities, X-Windows graphics, dynamic memory allocation, expanded criticality output, periodic boundaries, plotting of particle tracks via SABRINA, and many other improvements. 23 refs

  17. Synthesis, luminescence and nonlinear optical properties of homoleptic tetracyanamidogermanates ARE[Ge(CN{sub 2}){sub 4}] (A = K, Cs, and RE = La, Ce, Pr, Nd, Sm, Eu, Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Dolabdjian, Konstantin; Schedel, Christine; Meyer, Hans-Juergen [Abteilung fuer Festkoerperchemie und Theoretische Anorganische Chemie, Institut fuer Anorganische Chemie, Universitaet Tuebingen (Germany); Enseling, David; Juestel, Thomas [Fachbereich Chemieingenieurwesen, FH Muenster, Steinfurt (Germany)

    2017-04-04

    Two new series of tetracyanamidogermanates were prepared by solid-state reaction of appropriate amounts of REF{sub 3} (RE = rare earth), A{sub 2}[GeF{sub 6}] (A = alkaline), and Li{sub 2}(CN{sub 2}) in evacuated silica tubes. Powder X-ray diffraction patterns of crystalline samples of KRE[Ge(CN{sub 2}){sub 4}] and CsRE[Ge(CN{sub 2}){sub 4}] were indexed isotypically to KRE[Si(CN{sub 2}){sub 4}] and RbRE[Ge(CN{sub 2}){sub 4}], respectively. Luminescence properties of Ce{sup 3+}, Eu{sup 3+}, and Tb{sup 3+} doped compounds and non-linear optical properties (NLO) of KRE[Ge(CN{sub 2}){sub 4}] are reported. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Feature Selection with Neighborhood Entropy-Based Cooperative Game Theory

    Directory of Open Access Journals (Sweden)

    Kai Zeng

    2014-01-01

    Full Text Available Feature selection plays an important role in machine learning and data mining. In recent years, various feature measurements have been proposed to select significant features from high-dimensional datasets. However, most traditional feature selection methods will ignore some features which have strong classification ability as a group but are weak as individuals. To deal with this problem, we redefine the redundancy, interdependence, and independence of features by using neighborhood entropy. Then the neighborhood entropy-based feature contribution is proposed under the framework of cooperative game. The evaluative criteria of features can be formalized as the product of contribution and other classical feature measures. Finally, the proposed method is tested on several UCI datasets. The results show that neighborhood entropy-based cooperative game theory model (NECGT yield better performance than classical ones.

  19. Strongly correlating liquids and their isomorphs

    OpenAIRE

    Pedersen, Ulf R.; Gnan, Nicoletta; Bailey, Nicholas P.; Schröder, Thomas B.; Dyre, Jeppe C.

    2010-01-01

    This paper summarizes the properties of strongly correlating liquids, i.e., liquids with strong correlations between virial and potential energy equilibrium fluctuations at constant volume. We proceed to focus on the experimental predictions for strongly correlating glass-forming liquids. These predictions include i) density scaling, ii) isochronal superposition, iii) that there is a single function from which all frequency-dependent viscoelastic response functions may be calculated, iv) that...

  20. Atom collisions in a strong electromagnetic field

    International Nuclear Information System (INIS)

    Smirnov, V.S.; Chaplik, A.V.

    1976-01-01

    It is shown that the long-range part of interatomic interaction is considerably altered in a strong electromagnetic field. Instead of the van der Waals law the potential asymptote can best be described by a dipole-dipole R -3 law. Impact broadening and the line shift in a strong nonresonant field are calculated. The possibility of bound states of two atoms being formed in a strong light field is discussed

  1. 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

  2. Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Pang Linlin [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Bi Jianqiang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Bai Yujun [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China) and Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China)], E-mail: byj97@126.com; Qi Yongxin [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Zhu Huiling [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Wang Chengguo; Wu Jiwei [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Lu Chengwei [Department of Equipment, Shandong University of Science and Technology, Jinan 250031 (China)

    2008-12-20

    Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}. X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C{identical_to}N peak in the infrared spectra, further verify the formation of graphite-like sp{sup 2}-bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N.

  3. Soft X-ray emission spectroscopy used for the characterization of a-C and CN{sub x} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Nepijko, S.A., E-mail: nepijko@uni-mainz.de [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Chernenkaya, A. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Graduate School Materials Science in Mainz, Staudingerweg 9, 55128 Mainz (Germany); Medjanik, K.; Chernov, S.V. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Klimenkov, M. [Institute for Applied Materials, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Vlasenko, O.V. [Sumy State University, Rimsky-Korsakov str. 2, 40007 Sumy (Ukraine); Petrovskaya, S.S. [Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Krzhizhanovsky str. 3, 03142 Kiev (Ukraine); Odnodvorets, L.V. [Sumy State University, Rimsky-Korsakov str. 2, 40007 Sumy (Ukraine); Zaulichnyy, Ya.V. [National Technical University of Ukraine (KPI), Pobedy Av. 37, 03056 Kiev (Ukraine); Schönhense, G. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany)

    2015-02-27

    We present the results of a soft X-ray emission spectroscopy study of a-C and CN{sub x} films on a Si(100) substrate. Also for the characterization of the homogeneity in depth of these films electron energy loss spectroscopy measurements with localization better than 4 nm were carried out. In case of CN{sub x} films the highest diamond-like modification occurs in the region close to the Si(100) substrate. The film density decreases with increasing distance from the substrate and becomes almost constant in range of thicknesses more than ~ 2 nm. - Highlights: • CN{sub x} and a-C film densities decrease with the increase of thickness. • Density increases with the decrease of Si(100) substrate temperature at preparation. • Highest concentration of the diamond-like structure is in the substrate vicinity. • It reduces further from the substrate and stabilizes at thickness ≥ 2 nm.

  4. Feature displacement interpolation

    DEFF Research Database (Denmark)

    Nielsen, Mads; Andresen, Per Rønsholt

    1998-01-01

    Given a sparse set of feature matches, we want to compute an interpolated dense displacement map. The application may be stereo disparity computation, flow computation, or non-rigid medical registration. Also estimation of missing image data, may be phrased in this framework. Since the features...... often are very sparse, the interpolation model becomes crucial. We show that a maximum likelihood estimation based on the covariance properties (Kriging) show properties more expedient than methods such as Gaussian interpolation or Tikhonov regularizations, also including scale......-selection. The computational complexities are identical. We apply the maximum likelihood interpolation to growth analysis of the mandibular bone. Here, the features used are the crest-lines of the object surface....

  5. Enhanced Photocatalytic Degradation of Methyl Orange Dye under the Daylight Irradiation over CN-TiO2 Modified with OMS-2

    Directory of Open Access Journals (Sweden)

    Mohamed Elfatih Hassan

    2014-12-01

    Full Text Available In this study, CN-TiO2 was modified with cryptomelane octahedral molecular sieves (OMS-2 by the sol-gel method based on the self-assembly technique to enhance its photocatalytic activity under the daylight irradiation. The synthesized samples were characterized by X-ray diffraction (XRD, UV-vis spectroscopy, Fourier transform infrared spectroscopy (FT-IR and porosimeter analysis. The results showed that the addition of OMS-2 in the sol lead to higher Brunauer-Emmett-Teller (BET surface area, pore volume, porosity of particle after heat treatment and the specific surface area, porosity, crystallite size and pore size distribution could be controlled by adjusting the calcination temperature. Compared to the CN-TiO2-400 sample, CN-TiO2/OMS-2-400 exhibited greater red shift in absorption edge of samples in visible region due to the OMS-2 coated. The enhancement of photocatalytic activity of CN-TiO2/OMS-2 composite photocatalyst was subsequently evaluated for the degradation of the methyl orange dye under the daylight irradiation in water. The results showed that the methyl orange dye degradation rate reach to 37.8% for the CN-TiO2/OMS-2-400 sample under the daylight irradiation for 5 h, which was higher than that of reference sample. The enhancement in daylight photocatalytic activities of the CN-TiO2/OMS samples could be attributed to the synergistic effects of OMS-2 coated, larger surface area and red shift in adsorption edge of the prepared sample.

  6. Hierarchical feature selection for erythema severity estimation

    Science.gov (United States)

    Wang, Li; Shi, Chenbo; Shu, Chang

    2014-10-01

    At present PASI system of scoring is used for evaluating erythema severity, which can help doctors to diagnose psoriasis [1-3]. The system relies on the subjective judge of doctors, where the accuracy and stability cannot be guaranteed [4]. This paper proposes a stable and precise algorithm for erythema severity estimation. Our contributions are twofold. On one hand, in order to extract the multi-scale redness of erythema, we design the hierarchical feature. Different from traditional methods, we not only utilize the color statistical features, but also divide the detect window into small window and extract hierarchical features. Further, a feature re-ranking step is introduced, which can guarantee that extracted features are irrelevant to each other. On the other hand, an adaptive boosting classifier is applied for further feature selection. During the step of training, the classifier will seek out the most valuable feature for evaluating erythema severity, due to its strong learning ability. Experimental results demonstrate the high precision and robustness of our algorithm. The accuracy is 80.1% on the dataset which comprise 116 patients' images with various kinds of erythema. Now our system has been applied for erythema medical efficacy evaluation in Union Hosp, China.

  7. High Magnetic Field Study on Giant Negative Magnetoresistance in the Molecular Conductor TPP[Cr(Pc)(CN)2]2

    Science.gov (United States)

    Ikeda, Mitsuo; Kida, Takanori; Tahara, Time; Murakawa, Hiroshi; Nishi, Miki; Matsuda, Masaki; Hagiwara, Masayuki; Inabe, Tamotsu; Hanasaki, Noriaki

    2016-06-01

    We investigated the magnetic and transport properties of the phthalocyanine molecular conductor TPP[Cr(Pc)(CN)2]2 in magnetic fields of up to 54 T. We observed giant negative magnetoresistance which hardly depends on the magnetic field direction owing to the isotropic nature confirmed by electron spin resonance measurements. The magnitude of magnetoresistance [|ρ(μ0H)/ρ(0 T) - 1|] is proportional to the square of magnetization as observed in the case of the spin scattering process, while the proportionality coefficient increases with decreasing the temperature. The magnetization does not saturate even at 53 T, indicating the existence of the large antiferromagnetic exchange interactions between the localized spins. In spite of this antiferromagnetic exchange interaction and low dimensionality, a convex magnetization curve was observed in the low temperature and high magnetic field range. To reproduce this magnetization curve, we proposed a model taking into account the antiferromagnetic exchange interaction between the neighboring π-electron spins.

  8. 12C(n , 2 n )11C cross section from threshold to 26.5 MeV

    Science.gov (United States)

    Yuly, M.; Eckert, T.; Hartshaw, G.; Padalino, S. J.; Polsin, D. N.; Russ, M.; Simone, A. T.; Brune, C. R.; Massey, T. N.; Parker, C. E.; Fitzgerald, R.; Sangster, T. C.; Regan, S. P.

    2018-02-01

    The 12C(n ,2 n )11C cross section was measured from just below threshold to 26.5 MeV using the Pelletron accelerator at Ohio University. Monoenergetic neutrons, produced via the 3H(d ,n )4He reaction, were allowed to strike targets of polyethylene and graphite. Activation of both targets was measured by counting positron annihilations resulting from the β+ decay of 11C. Annihilation gamma rays were detected, both in coincidence and singly, using back-to-back NaI detectors. The incident neutron flux was determined indirectly via 1H(n ,p ) protons elastically scattered from the polyethylene target. Previous measurements fall into upper and lower bands; the results of the present measurement are consistent with the upper band.

  9. Optimization of nitrate removal from wastewater with a low C/N ratio using solid-phase denitrification.

    Science.gov (United States)

    Zhang, Qian; Ji, Fangying; Xu, Xiaoyi

    2016-01-01

    In this study, the optimization of nitrate removal from wastewater with a low C/N ratio using solid-phase denitrification was investigated. Biodegradable polymer, an attractive alternative to liquid carbon sources for biological denitrification, was used as a carbon source and biofilm support for nitrate removal. An experiment was conducted based on a central composite design (CCD) with response surface methodology (RSM). A secondary polynomial regression with nitrate removal efficiency as response value was developed. Based on statistical analysis, the nitrate removal model was highly significant with very low probability values (denitrification process, electron donor for denitrification could be obtained by biological degradation of biodegradable polymer. Therefore, the influent CODCr concentration has no major effect on nitrate removal efficiency compared with that of HRT and influent NO3 (-)-N concentration.

  10. Physical properties in the normal state of the molecular superconductor Κ-(BEDT)2Cu2(CN)3

    International Nuclear Information System (INIS)

    Papavassiliou, G.C.; Lagouvardos, D.J.; Terzis, A.; Amiell, J.; Garrigou-Lagrange, C.; Delhaes, P.; Hilti, B.; Pfeiffer, J.

    1993-01-01

    We have investigated the electrical, spectroscopic and magnetic properties of the K-phase molecular conductor K-(BEDT) 2 Cu 2 (CN) 3 between room temperature and the liquid He 4 temperature range. We have shown that an intermittent superconducting material is present around or below 4 K which presents above this temperature limited spin fluctuations. The influence of disorder inside the anionic layers is discussed with respect to the X-ray crystal structure, and also the intrinsic effects due to temperature or pressure to explain this situation. Finally, the specific behaviour of the ESR linewidth at low temperature is analysed as a magnetic precursor regime of the supposed superconducting ground state. (orig.)

  11. Effective Biological Nitrogen Removal Treatment Processes for Domestic Wastewaters with Low C/N Ratios: A Review

    DEFF Research Database (Denmark)

    Sun, Sheng-Peng; Pellicer i Nàcher, Carles; Merkey, Brian

    2010-01-01

    treatment processes including the modified anaerobic/anoxic/oxic (A(2)/O) process, the step-feed multistage anaerobic/ oxic (A/O) process, and new reactors like the membrane bioreactors (MBRs) and the membrane-aerated biofilm reactors (MABRs) can support the innovative biological nitrogen removal pathways...... effluent, the leachate of food waste, digested piggery manure, hydrolyzed molasses, biologically hydrolyzed or mechanically disintegrated sludge offer the same or better performance for nitrogen removal at reduced costs. Finally, we suggest that (1) these new processes and technologies are implemented...... at large scale for nitrogen removal from low C/N domestic wastewater, (2) further method logic are explored to introduce the Anammox pathway into domestic wastewater treatment, and (3) alternative carbon sources are explored and optimized for supporting the denitrification. With these efforts, cost...

  12. Mechanical properties and eddy current testing of thermally aged Z3CN20.09M cast duplex stainless steel

    Science.gov (United States)

    Liu, Tonghua; Wang, Wei; Qiang, Wenjiang; Shu, Guogang

    2018-04-01

    To study the thermal aging embrittlement of Z3CN20.09M duplex stainless steel produced in China, accelerated thermal aging experiments were carried out at 380 °C up to 9000 h. Microhardness measurements, Charpy impact and eddy current tests were performed on aged samples to characterize their thermal aging embrittlement. The results showed that the signal amplitude of eddy current decreased with the increase in aging time. Two quantitative correlations of the eddy current signal amplitude with both the Charpy impact energy, and the Vickers microhardness of the ferrite phase are obtained. The study showed that eddy current testing could be used to non-destructively evaluate the thermal aging embrittlement of cast duplex stainless steels.

  13. Chiral mass splitting for cs-bar and cn-bar mesons in the U-tilde(12)-classification scheme of hadrons

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Kenji; Maeda, Tomohito [Nihon University, Funabashi (Japan). Junior College Funabashi Campus. Dept. of Engineering Science; Ishida, Shin [Nihon University, Tokyo (Japan). College of Science and Technology. Research Institute of Science and Technology

    2005-07-01

    We investigate the chiral mass splitting of parity-doubled J = 0,1 states for cs-bar and cn-bar meson systems in the U-tilde(12){sub SF}-classification scheme of hadrons, using the linear sigma model to describe the light-quark pseudoscalar and scalar mesons together with the spontaneous breaking of chiral symmetry, and consequently predict the masses of as-yet-unobserved (0{sup +}, 1{sup +}) cn-bar mesons. We also mention some indications of their existence in the recent published data from the Belle and BABAR Collaborations. (author)

  14. Corrosion mechanism of Z3 CN18.10 stainless steel in the presence of nitric acid condensates

    International Nuclear Information System (INIS)

    Balbaud, Fanny

    1998-01-01

    In installations handling concentrated boiling nitric acid, a severe intergranular corrosion can sometimes occur in condensation zones constituted of non-sensitized Z3 CN 18.10 stainless steel. Corrosion tests in reactors and in a specific loop, CIRCE, allowed to specify the conditions of occurrence of this type of corrosion and showed the similitude with the corrosion in non-renewed liquid nitric acid: the specific parameters linked to the condensate phase are the high ratio metallic surface area to volume of condensate and the low renewing rate which induce a concentration of oxidation products of the metal and of reduction products of nitric acid. The initiation of the intergranular corrosion is attributed to the increase in the reduction rate of nitric acid by an autocatalytic mechanism which was demonstrated by electrochemical measurements on platinum and on stainless steel. The reduction mechanism involves a charge transfer step where nitrous acid, the electro-active species, is reduced into nitrogen monoxide and a chemical regeneration reaction of nitrous acid. The thermodynamic study led to a representation of the chemical and electrochemical properties of nitric acid. This study allowed also to determine the Gibbs free energy of formation of nitrous acid in solution in concentrated nitric acid at 100 deg. C. The diagram, constructed in coordinates log(P O 2 ) / [-log(P HNO 3 )] or E eXperimental / [-log(P HNO 3 )], shows that the final reduction product of nitric acid depends on the concentration of nitric acid: at 100 deg. C, NO is obtained for concentrations lower than 8 mol.L -1 and NO 2 is obtained for higher concentrations. All these results allowed to propose a corrosion mechanism of Z3 CN 18.10 stainless steel in the presence of nitric acid condensates. [fr

  15. NGC6791: A case study of using CN and CH band strengths to detect chemical inhomogeneities in open clusters

    Science.gov (United States)

    Boberg, Owen; Martell, S. L.; Friel, E. D.

    2014-01-01

    We present an analysis of the CN and CH molecular band strengths for cluster members of the open cluster NGC 6791 using low resolution (R ~ 2000) SEGUE spectra. The spectra were taken as part of the validation process for the SEGUE Stellar Parameter Pipeline (SSPP) and released in the eighth SDSS data release. If there are star-to-star abundance variations present at a given evolutionary state in a stellar population, they may be observed through variations in the molecular band strengths at that stage. Characterizing these variations in globular clusters has shown that the band strengths form a bimodal distribution, indicative of cluster members with different chemical abundances and possibly multiple generations of stars. In this work, we use this technique on an open cluster (NGC 6791) to address the possibility of abundance variations present in the cluster. Performing this analysis on other open clusters has resulted in unimodal distributions of CN and CH band strengths, as expected from their typical physical characteristics. NGC 6791, however, provides an interesting case study for this analysis due to its high mass ~5 x 10 4 solar masses, old age ~ 8 Gyr, and high metallicity [Fe/H] ~ +0.4 dex, making it a less than typical open cluster. For this reason, NGC 6791 has been the subject of other studies (see Twarog, et al. 2011; Geisler, et al. 2012; Carrera, 2012) focused on detecting abundance variations in the cluster using broadband photometry, high resolution spectra, and molecular band strengths. These studies have found some evidence for abundance variations among the cluster members, but there is still debate as to whether these findings are conclusive. In this study, we do not find evidence to support abundance variations between cluster members of NGC 6791.

  16. Chemistry of Titan's Aerosols : Correlation of The C/n &C/h Ratios To Pressure and Temperature

    Science.gov (United States)

    Bernard, J.-M.; Coll, P.; Raulin, F.

    The gas present in Titan's atmosphere are forming organics aerosols under action of the solar radiations and of electrons from Saturn's magnetosphere. Many experimental simulations are been realised by irradiating N2/CH4 gas mixtures with different en- ergy sources in order to reproduce the chemistry of gas and particulate phases (Thomp- son et al, 1991; Mc Donald et al, 1994; de Vanssay et al, 1995; McKay, 1996; Coll et al, 1997, 1998a,b; and Refs. included). Until very recently, only one organics re- mains detected in Titan but not in laboratory simulation : C4N2. A full program of experimental research has been developed at LISA, which was able to provide a com- plete identification of a wide range of compounds, proposed to be present in Titan's atmosphere, including C4N2. The composition of aerosol on Titan is not known, due to its complexity. Especially its building molecules are difficult to identify. Only functional groups of analogues have been determined using spectroscopy and pyrolysis. However this chemical composi- tion is a key parameter for Cassini-Huygens experiments and atmospheric modeling : even the optical properties of aerosols are related to C/N and C/H ratios. We will present the results of the variation of C/N and C/H ratios according to the temperature and the pressure in Titan's atmosphere simulations. This data will allow to constraint photochemical models, in order for them to be more realistic. Then the comprehension of the mechanism of aerosols formation on Titan as function of altitude will be easier.

  17. Compostagem de misturas de capim-elefante e torta de mamona com diferentes relações C:N

    Directory of Open Access Journals (Sweden)

    Marco A. de A. Leal

    2013-11-01

    Full Text Available A viabilidade econômica da compostagem está relacionada à utilização de matérias-primas abundantes, de custo competitivo e com níveis reduzidos de contaminação química e biológica. Seguindo esses critérios identifica-se a biomassa de capim-elefante e a torta de mamona como materiais bastante promissores. Objetivou-se, neste trabalho, determinar as características dos produtos finais e os índices de eficiência do processo de compostagem em três formulações da mistura de capim-elefante (Pennisetum purpureum e torta de mamona com diferentes relações C:N, além de um tratamento de referência com a mistura de capim-elefante e biomassa de Crotalaria juncea. A compostagem da mistura de capim-elefante com torta de mamona possibilitou a obtenção de material orgânico estabilizado com elevado teor de N, sem a necessidade de utilização de qualquer inoculante ou aditivo. Os compostos se estabilizaram aproximadamente aos 60 dias após o início da compostagem e apresentaram reduções de cerca de 50% de sua massa e 65% de seu volume, após 90 dias de compostagem. Compostos com os menores valores iniciais de relação C:N apresentaram as maiores perdas proporcionais de N durante a compostagem.

  18. Different Mechanisms of Soil Microbial Response to Global Change Result in Different Outcomes in the MIMICS-CN Model

    Science.gov (United States)

    Kyker-Snowman, E.; Wieder, W. R.; Grandy, S.

    2017-12-01

    Microbial-explicit models of soil carbon (C) and nitrogen (N) cycling have improved upon simulations of C and N stocks and flows at site-to-global scales relative to traditional first-order linear models. However, the response of microbial-explicit soil models to global change factors depends upon which parameters and processes in a model are altered by those factors. We used the MIcrobial-MIneral Carbon Stabilization Model with coupled N cycling (MIMICS-CN) to compare modeled responses to changes in temperature and plant inputs at two previously-modeled sites (Harvard Forest and Kellogg Biological Station). We spun the model up to equilibrium, applied each perturbation, and evaluated 15 years of post-perturbation C and N pools and fluxes. To model the effect of increasing temperatures, we independently examined the impact of decreasing microbial C use efficiency (CUE), increasing the rate of microbial turnover, and increasing Michaelis-Menten kinetic rates of litter decomposition, plus several combinations of the three. For plant inputs, we ran simulations with stepwise increases in metabolic litter, structural litter, whole litter (structural and metabolic), or labile soil C. The cumulative change in soil C or N varied in both sign and magnitude across simulations. For example, increasing kinetic rates of litter decomposition resulted in net releases of both C and N from soil pools, while decreasing CUE produced short-term increases in respiration but long-term accumulation of C in litter pools and shifts in soil C:N as microbial demand for C increased and biomass declined. Given that soil N cycling constrains the response of plant productivity to global change and that soils generate a large amount of uncertainty in current earth system models, microbial-explicit models are a critical opportunity to advance the modeled representation of soils. However, microbial-explicit models must be improved by experiments to isolate the physiological and stoichiometric

  19. Key Features of oxypnictides

    Indian Academy of Sciences (India)

    First page Back Continue Last page Graphics. Key Features of oxypnictides. Metal –insulator boundary. Quasi 2D structure. Doping important. Charge transfer (redox behaviour). Normal resistivity : mohms (little higher in oxypnictides). Near antiferromagnetic ground state. Superexchange through Fe-As-Fe (Cu-O-Cu) ...

  20. Strong ideal convergence in probabilistic metric spaces

    Indian Academy of Sciences (India)

    sequence and strong ideal Cauchy sequence in a probabilistic metric (PM) space endowed with the strong topology, and ... also important applications in nonlinear analysis [2]. The theory was brought to ..... for each t > 0 since each set on the right-hand side of the relation (3.1) belongs to I. Thus, by Definition 2.11 and the ...

  1. Large N baryons, strong coupling theory, quarks

    International Nuclear Information System (INIS)

    Sakita, B.

    1984-01-01

    It is shown that in QCD the large N limit is the same as the static strong coupling limit. By using the static strong coupling techniques some of the results of large N baryons are derived. The results are consistent with the large N SU(6) static quark model. (author)

  2. Optimization of strong and weak coordinates

    NARCIS (Netherlands)

    Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We present a new scheme for the geometry optimization of equilibrium and transition state structures that can be used for both strong and weak coordinates. We use a screening function that depends on atom-pair distances to differentiate strong coordinates from weak coordinates. This differentiation

  3. Strong decays of nucleon and delta resonances

    International Nuclear Information System (INIS)

    Bijker, R.; Leviatan, A.

    1996-01-01

    We study the strong couplings of the nucleon and delta resonances in a collective model. In the ensuing algebraic treatment we derive closed expressions for decay widths which are used to analyze the experimental data for strong decays into the pion and eta channels. (Author)

  4. Theoretical studies of strongly correlated fermions

    Energy Technology Data Exchange (ETDEWEB)

    Logan, D. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Strongly correlated fermions are investigated. An understanding of strongly correlated fermions underpins a diverse range of phenomena such as metal-insulator transitions, high-temperature superconductivity, magnetic impurity problems and the properties of heavy-fermion systems, in all of which local moments play an important role. (author).

  5. Evidence for carbon flux shortage and strong carbon/nitrogen interactions in pea nodules at early stages of water stress.

    Science.gov (United States)

    Gálvez, Loli; González, Esther M; Arrese-Igor, Cesar

    2005-09-01

    Symbiotic N2 fixation in legume nodules declines under a wide range of environmental stresses. A high correlation between N2 fixation decline and sucrose synthase (SS; EC 2.4.1.13) activity down-regulation has been reported, although it has still to be elucidated whether a causal relationship between SS activity down-regulation and N2 fixation decline can be established. In order to study the likely C/N interactions within nodules and the effects on N2 fixation, pea plants (Pisum sativum L. cv. Sugar snap) were subjected to progressive water stress by withholding irrigation. Under these conditions, nodule SS activity declined concomitantly with apparent nitrogenase activity. The levels of UDP-glucose, glucose-1-phosphate, glucose-6-phosphate, and fructose-6-phosphate decreased in water-stressed nodules compared with unstressed nodules. Drought also had a marked effect on nodule concentrations of malate, succinate, and alpha-ketoglutarate. Moreover, a general decline in nodule adenylate content was detected. NADP+-dependent isocitrate dehydrogenase (ICDH; EC 1.1.1.42) was the only enzyme whose activity increased as a result of water deficit, compensating for a possible C/N imbalance and/or supplying NADPH in circumstances that the pentose phosphate pathway was impaired, as suggested by the decline in glucose-6-phosphate dehydrogenase (G6PDH; EC 1.1.1.49) activity. The overall results show the occurrence of strong C/N interactions in nodules subjected to water stress and support a likely limitation of carbon flux that might be involved in the decline of N2 fixation under drought.

  6. Seismic switch for strong motion measurement

    Science.gov (United States)

    Harben, P.E.; Rodgers, P.W.; Ewert, D.W.

    1995-05-30

    A seismic switching device is described that has an input signal from an existing microseismic station seismometer and a signal from a strong motion measuring instrument. The seismic switch monitors the signal level of the strong motion instrument and passes the seismometer signal to the station data telemetry and recording systems. When the strong motion instrument signal level exceeds a user set threshold level, the seismometer signal is switched out and the strong motion signal is passed to the telemetry system. The amount of time the strong motion signal is passed before switching back to the seismometer signal is user controlled between 1 and 15 seconds. If the threshold level is exceeded during a switch time period, the length of time is extended from that instant by one user set time period. 11 figs.

  7. A Comparative Study of O2, CO and CN Binding to Heme IX Protein Models

    Directory of Open Access Journals (Sweden)

    Francisco Torrens

    2004-07-01

    Full Text Available Parametrization of a molecular-mechanics program to include terms specificfor five- and six-coordinate transition metal complexes results in computer-simulatedstructures of heme complexes. The principal new feature peculiar to five and sixcoordination is a term that measures the effect of electron-pair repulsion modified by theligand electronegativity and takes into account the different structural possibilities. Themodel system takes into account the structural differences of the fixing centre in thehaemoglobin subunits. The customary proximal histidine is added. The prosthetic groupheme IX is wholly considered in our model. The calculations show clearly that certainconformations are much more favourable that others for fixing O2. From the O2 bindingin haemoglobin, myoglobin and simple Fe porphyrin models it is concluded that the bentO2 ligand is best viewed as bound superoxide O2–. Axial ligands are practically free-rotating. A small modification of the model in both crystal and protein matrix affects theorientation of the ligands in experimental systems.

  8. Understanding and modulating the high-energy properties of noble-gas hydrides from their long-bonding: an NBO/NRT investigation on HNgCO+/CS+/OSi+ and HNgCN/NC (Ng = He, Ar, Kr, Xe, Rn) molecules.

    Science.gov (United States)

    Zhang, Guiqiu; Song, Junjie; Fu, Lei; Tang, Kongshuang; Su, Yue; Chen, Dezhan

    2018-04-03

    The noble-gas hydrides, HNgX (X is an electronegative atom or fragment), represent potential high-energy materials because their two-body decomposition process, HNgX → Ng + HX, is strongly exoergic. Our previous studies have shown that each member of the HNgX (X = halogen atom or CN/NC fragment) molecules is composed of three leading resonance structures: two ω-bonding structures (H-Ng+ :X- and H:- Ng+-X) and one long-bonding structure (H∧X). The last one paints a novel [small sigma, Greek, circumflex]-type long-bonding picture. The present study focuses on the relationship between this novel bonding motif and the unusual energetic properties. We chose HNgCO+/CS+/OSi+/CN/NC, with the formula HNgAB (Ng = He, Ar, Kr, Xe, Rn; AB = CO+/CS+/OSi+/CN/NC) as the research system. We first investigated the bonding of HNgCO+ and its analogous HNgCS+/OSi+ species using NBO/NRT methods, and quantitatively compared the bonding with that in HNgCN/NC molecules. NBO/NRT results showed that each of the HNgCO+/CS+/OSi+ molecules could be better represented as a resonance hybrid of ω-bonding and long-bonding structures, but the long-bonding is much weaker than that in HNgCN/NC molecules. Furthermore, we introduced the long-bonding concept into the rationalization of the high-energy properties, and found a good correlation between the highly exothermic two-body dissociation channel and the long-bond order, bH-A. We also found that the long-bond order is highly tunable for these noble-gas hydrides due to its dependence on the nature of the electronegative AB fragments or the central noble-gas atoms, Ng. On the basis of these results, we could optimize the energetic properties by changing the long-bonding motif of our studied molecules. Overall, this study shows that the long-bonding model provides an easy way to rationalize and modulate the unusual energy properties of noble-gas hydrides, and that it is helpful to predict some noble-gas hydrides as potential energetic materials.

  9. Strongly coupled gauge theories: What can lattice calculations teach us?

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    Electroweak symmetry breaking and the dynamical origin of the Higgs boson are central questions today. Strongly coupled systems predicting the Higgs boson as a bound state of a new gauge-fermion interaction are candidates to describe beyond Standard Model physics. The phenomenologically viable models are strongly coupled, near the conformal boundary, requiring non-perturbative studies to reveal their properties. Lattice studies show that many of the beyond-Standard Model candidates have a relatively light isosinglet scalar state that is well separated from the rest of the spectrum. When the scale is set via the vev of electroweak symmetry breaking, a 2 TeV vector resonance appears to be a general feature of many of these models with several other resonances that are not much heavier.

  10. [Music-induced chills as a strong emotional experience].

    Science.gov (United States)

    Mori, Kazuma; Iwanaga, Makoto

    2014-12-01

    While enjoying music and other works of art, people sometimes experience "chills," a strong emotional response characterized by a sensation of goose bumps or shivers. Such experiences differ from having goose bumps as a defense response or from shivering in reaction to cold temperatures. The current paper presents the phenomenon of music-induced chills and reviews the chill-related emotional response, autonomic nervous system activity, and brain activity. It also reviews the musico-acoustic features, listening contexts, and individual differences that cause chills. Based on the review, we propose a hypothetical model regarding the evocation of music-induced chills. Furthermore, we investigate the strong emotional response associated with chills by exploring the relationship between music-related chills and non-music-related chills, and discuss future research directions.

  11. Strong enhancement of the chemiluminescence of the Cu(II)-H2O2 system on addition of carbon nitride quantum dots, and its application to the detection of H2O2 and glucose.

    Science.gov (United States)

    Hallaj, Tooba; Amjadi, Mohammad; Song, Zhenlun; Bagheri, Robabeh

    2017-12-19

    The authors report that carbon nitride quantum dots (CN QDs) exert a strong enhancing effect on the Cu(II)/H 2 O 2 chemiluminescent system. Chemiluminescence (CL) intensity is enhanced by CN QDs by a factor of ~75, while other carbon nanomaterials have a much weaker effect. The possible mechanism of the effect was evaluated by recording fluorescence and CL spectra and by examining the effect of various radical scavengers. Emitting species was found to be excited-state CN QDs that produce green CL peaking at 515 nm. The new CL system was applied to the sensitive detection of H 2 O 2 and glucose (via glucose oxidase-catalyzed formation of H 2 O 2 ) with detection limits (3σ) of 10 nM for H 2 O 2 and 100 nM for glucose. The probe was employed for glucose determination in human plasma samples with satisfactory results. Graphical abstract The effect of carbon nitride quantum dots (CN QDs) on Cu(II)-H 2 O 2 chemiluminescence reaction was studied and the new CL system was applied for sensitive detection of glucose based on the glucose oxidase (GOx)-catalyzed formation of H 2 O 2 .

  12. Moderately strong pump-induced ultrafast dynamics in solution

    Energy Technology Data Exchange (ETDEWEB)

    Shen, H.F. [Shanghai Advanced Research Institute, Chinese Academy of Sciences (China); School of Physical Science and Technology, ShanghaiTech University (China); University of Chinese Academy of Sciences (China); Zhang, Yizhu, E-mail: zhangyz@sari.ac.cn [Shanghai Advanced Research Institute, Chinese Academy of Sciences (China); Yan, T.-M., E-mail: yantm@sari.ac.cn [Shanghai Advanced Research Institute, Chinese Academy of Sciences (China); Wang, Z.Y. [Shanghai Advanced Research Institute, Chinese Academy of Sciences (China); School of Physical Science and Technology, ShanghaiTech University (China); Jiang, Y.H., E-mail: jiangyh@sari.ac.cn [Shanghai Advanced Research Institute, Chinese Academy of Sciences (China); School of Physical Science and Technology, ShanghaiTech University (China)

    2016-09-12

    Graphical abstract: Moderately strong pump pulse is applied to the transient absorption spectrum. The pump and dump processes (resonant impulsive stimulated Raman scattering) finished in one single pump pulse in moderately strong regime make the observation of high-lying excited state dynamics possible. - Highlights: • The pulse intensity in transient absorption spectrum are experimentally studied. • The higher nonlinear susceptibility responses are observed. • The resonant impulsive stimulated Raman scattering. • New dynamics information in strong pump field. - Abstract: The transient transmittance spectra of laser dye IR144 in methanol were investigated experimentally in the moderately strong pump-probe field. Observed emission spectra in the red edge of the incident-field bandwidth, created by resonant impulsive stimulated Raman scattering (RISRS), display significant nonlinear intensity dependence as the pulse intensity increases. Dynamic perspectives of RISRS spectra can be understood well in a wavepacket picture. The excitation of high vibrational levels in the ground electronic state leading to the redshift of emissions presents high dependence of the pump-pulse intensity and ultrafast dynamical features, mapping the spatial overlap and separation of ground and excited wave functions and resolving the ultrafast vibrational relaxation in the femtosecond regime.

  13. Sparse kernel orthonormalized PLS for feature extraction in large datasets

    DEFF Research Database (Denmark)

    Arenas-García, Jerónimo; Petersen, Kaare Brandt; Hansen, Lars Kai

    2006-01-01

    is tested on a benchmark of UCI data sets, and on the analysis of integrated short-time music features for genre prediction. The upshot is that the method has strong expressive power even with rather few features, is clearly outperforming the ordinary kernel PLS, and therefore is an appealing method...

  14. Study of the fragmentation of astrophysical interest molecules (CnHm) induced by high velocity collision

    International Nuclear Information System (INIS)

    Tuna, Th.

    2008-07-01

    This work shows the study of atom-molecule collision processes in the high velocity domain (v=4,5 a.u). The molecules concerned by this work are small unsaturated hydrocarbons C 1-4 H and C 3 H 2 . Molecules are accelerated with the Tandem accelerator in Orsay and their fragmentation is analyzed by the 4π, 100% efficient detector, AGAT. Thanks to a shape analysis of the current signal from the silicon detectors in association with the well known grid method, we are able to measure all the fragmentation channels of the incident molecule. These dissociation measurements have been introduced in the modelization of two objects of the interstellar medium in which a lot of hydrocarbon molecules have been observed (TMC1, horse-head nebula). We have extended our branching ratios obtained by high velocity collision to other electronic processes included in the chemical database like photodissociation and dissociative recombination. This procedure is feasible under an assumption of the statistical point of view of the molecular fragmentation. The deviations following our modification are very small in the modelization of TMC1 but significant in the photodissociation region. The first part is dedicated to the description of the experimental setting that has enabled us to study the fragmentation of C n H m molecules: the Orsay's Tandem accelerator and the Agat detector. The second part deals with negative ion sources and particularly with the Sahat source that is based on electronic impact and has shown good features for the production of anions and correct stability for its use with accelerators. The third part is dedicated to the experimental results in terms of cross-sections, number of fragments and branching ratios, associated to the various collisional processes. The last part presents an application of our measurement of fragmentation data to astro-chemistry. In this field, the simulation codes of the inter-stellar medium require databases of chemical reactions that

  15. Strong and superstrong pulsed magnetic fields generation

    CERN Document Server

    Shneerson, German A; Krivosheev, Sergey I

    2014-01-01

    Strong pulsed magnetic fields are important for several fields in physics and engineering, such as power generation and accelerator facilities. Basic aspects of the generation of strong and superstrong pulsed magnetic fields technique are given, including the physics and hydrodynamics of the conductors interacting with the field as well as an account of the significant progress in generation of strong magnetic fields using the magnetic accumulation technique. Results of computer simulations as well as a survey of available field technology are completing the volume.

  16. Impurity screening in strongly coupled plasma systems

    CERN Document Server

    Kyrkos, S

    2003-01-01

    We present an overview of the problem of screening of an impurity in a strongly coupled one-component plasma within the framework of the linear response (LR) theory. We consider 3D, 2D and quasi-2D layered systems. For a strongly coupled plasma the LR can be determined by way of the known S(k) structure functions. In general, an oscillating screening potential with local overscreening and antiscreening regions emerges. In the case of the bilayer, this phenomenon becomes global, as overscreening develops in the layer of the impurity and antiscreening in the adjacent layer. We comment on the limitations of the LR theory in the strong coupling situation.

  17. The lambda sigma calculus and strong normalization

    DEFF Research Database (Denmark)

    Schack-Nielsen, Anders; Schürmann, Carsten

    Explicit substitution calculi can be classified into several dis- tinct categories depending on whether they are confluent, meta-confluent, strong normalization preserving, strongly normalizing, simulating, fully compositional, and/or local. In this paper we present a variant of the λσ-calculus......, which satisfies all seven conditions. In particular, we show how to circumvent Mellies counter-example to strong normalization by a slight restriction of the congruence rules. The calculus is implemented as the core data structure of the Celf logical framework. All meta-theoretic aspects of this work...

  18. Imaging features of thalassemia

    Energy Technology Data Exchange (ETDEWEB)

    Tunaci, M.; Tunaci, A.; Engin, G.; Oezkorkmaz, B.; Acunas, G.; Acunas, B. [Dept. of Radiology, Istanbul Univ. (Turkey); Dincol, G. [Dept. of Internal Medicine, Istanbul Univ. (Turkey)

    1999-07-01

    Thalassemia is a kind of chronic, inherited, microcytic anemia characterized by defective hemoglobin synthesis and ineffective erythropoiesis. In all thalassemias clinical features that result from anemia, transfusional, and absorptive iron overload are similar but vary in severity. The radiographic features of {beta}-thalassemia are due in large part to marrow hyperplasia. Markedly expanded marrow space lead to various skeletal manifestations including spine, skull, facial bones, and ribs. Extramedullary hematopoiesis (ExmH), hemosiderosis, and cholelithiasis are among the non-skeletal manifestations of thalassemia. The skeletal X-ray findings show characteristics of chronic overactivity of the marrow. In this article both skeletal and non-skeletal manifestations of thalassemia are discussed with an overview of X-ray findings, including MRI and CT findings. (orig.)

  19. Feature extraction of multispectral data

    Science.gov (United States)

    Crane, R. B.; Crimmins, T.; Reyer, J. F.

    1973-01-01

    A method is presented for feature extraction of multispectral scanner data. Non-training data is used to demonstrate the reduction in processing time that can be obtained by using feature extraction rather than feature selection.

  20. CBFS: high performance feature selection algorithm based on feature clearness.

    Directory of Open Access Journals (Sweden)

    Minseok Seo

    Full Text Available BACKGROUND: The goal of feature selection is to select useful features and simultaneously exclude garbage features from a given dataset for classification purposes. This is expected to bring reduction of processing time and improvement of classification accuracy. METHODOLOGY: In this study, we devised a new feature selection algorithm (CBFS based on clearness of features. Feature clearness expresses separability among classes in a feature. Highly clear features contribute towards obtaining high classification accuracy. CScore is a measure to score clearness of each feature and is based on clustered samples to centroid of classes in a feature. We also suggest combining CBFS and other algorithms to improve classification accuracy. CONCLUSIONS/SIGNIFICANCE: From the experiment we confirm that CBFS is more excellent than up-to-date feature selection algorithms including FeaLect. CBFS can be applied to microarray gene selection, text categorization, and image classification.

  1. Model Checking Feature Interactions

    DEFF Research Database (Denmark)

    Le Guilly, Thibaut; Olsen, Petur; Pedersen, Thomas

    2015-01-01

    This paper presents an offline approach to analyzing feature interactions in embedded systems. The approach consists of a systematic process to gather the necessary information about system components and their models. The model is first specified in terms of predicates, before being refined to t...... to timed automata. The consistency of the model is verified at different development stages, and the correct linkage between the predicates and their semantic model is checked. The approach is illustrated on a use case from home automation....

  2. Elementary epistemological features of machine intelligence

    OpenAIRE

    Horvat, Marko

    2008-01-01

    Theoretical analysis of machine intelligence (MI) is useful for defining a common platform in both theoretical and applied artificial intelligence (AI). The goal of this paper is to set canonical definitions that can assist pragmatic research in both strong and weak AI. Described epistemological features of machine intelligence include relationship between intelligent behavior, intelligent and unintelligent machine characteristics, observable and unobservable entities and classification of in...

  3. Anti-counterfeiting features of artistic screening

    OpenAIRE

    Ostromoukhov, V.; Rudaz, N.; Amidror, I.; Emmel, P.; Hersch, R. D.

    1996-01-01

    Although Artistic Screening has been designed mainly for performing the creation of graphic designs of high artistic quality, it also incorporates several important anti-counterfeiting features. For example, bank notes or other valuable printed matters produced with Artistic Screening may incorporate both full size and microscopic letters of varying shape into the image halftoning process. In this contribution, we show that frequency modulated screen dots exhibit a strongly position-dependent...

  4. Strong Coupling Corrections in Quantum Thermodynamics

    Science.gov (United States)

    Perarnau-Llobet, M.; Wilming, H.; Riera, A.; Gallego, R.; Eisert, J.

    2018-03-01

    Quantum systems strongly coupled to many-body systems equilibrate to the reduced state of a global thermal state, deviating from the local thermal state of the system as it occurs in the weak-coupling limit. Taking this insight as a starting point, we study the thermodynamics of systems strongly coupled to thermal baths. First, we provide strong-coupling corrections to the second law applicable to general systems in three of its different readings: As a statement of maximal extractable work, on heat dissipation, and bound to the Carnot efficiency. These corrections become relevant for small quantum systems and vanish in first order in the interaction strength. We then move to the question of power of heat engines, obtaining a bound on the power enhancement due to strong coupling. Our results are exemplified on the paradigmatic non-Markovian quantum Brownian motion.

  5. Finding quantum effects in strong classical potentials

    Science.gov (United States)

    Hegelich, B. Manuel; Labun, Lance; Labun, Ou Z.

    2017-06-01

    The long-standing challenge to describing charged particle dynamics in strong classical electromagnetic fields is how to incorporate classical radiation, classical radiation reaction and quantized photon emission into a consistent unified framework. The current, semiclassical methods to describe the dynamics of quantum particles in strong classical fields also provide the theoretical framework for fundamental questions in gravity and hadron-hadron collisions, including Hawking radiation, cosmological particle production and thermalization of particles created in heavy-ion collisions. However, as we show, these methods break down for highly relativistic particles propagating in strong fields. They must therefore be improved and adapted for the description of laser-plasma experiments that typically involve the acceleration of electrons. Theory developed from quantum electrodynamics, together with dedicated experimental efforts, offer the best controllable context to establish a robust, experimentally validated foundation for the fundamental theory of quantum effects in strong classical potentials.

  6. Atomica ionization by strong coherent radiation

    International Nuclear Information System (INIS)

    Brandi, H.S.; Davidovich, L.

    1979-07-01

    The relation among the three most frequently used non-perturbative methods proposed to study the ionization of atoms by strong electromagnetic fields is established. Their range of validity is also determined. (Author) [pt

  7. Perturbation of an exact strong gravity solution

    International Nuclear Information System (INIS)

    Baran, S.A.

    1982-10-01

    Perturbations of an exact strong gravity solution are investigated. It is shown, by using the new multipole expansions previously presented, that this exact and static spherically symmetric solution is stable under odd parity perturbations. (author)

  8. Strong-force theorists scoop Noble Prize

    CERN Multimedia

    Durrani, Matin

    2004-01-01

    Three US theorists have shared the 2004 Nobel Prize in Physics "for the discovery of asymptotic freedom in the theory of the strong interaction". Their theoretical work explains why quarks behave almost as free particles at high energies (½ page)

  9. Calculating hadronic properties in strong QCD

    International Nuclear Information System (INIS)

    Pennington, M.R.

    1996-01-01

    This talk gives a brief review of the progress that has been made in calculating the properties of hadrons in strong QCD. In keeping with this meeting I will concentrate on those properties that can be studied with electromagnetic probes. Though perturbative QCD is highly successful, it only applies in a limited kinematic regime, where hard scattering occur, and the quarks move in the interaction region as if they are free, pointlike objects. However, the bulk of strong interactions are governed by the long distance regime, where the strong interaction is strong. It is this regime of length scales of the order of a Fermi, that determines the spectrum of light hadrons and their properties. The calculation of these properties requires an understanding of non-perturbative QCD, of confinement and chiral symmetry breaking. (author)

  10. Organic carbon source and C/N ratio affect inorganic nitrogen profile in the biofloc-based culture media of Pacific white shrimp (Litopenaeus vannamei

    Directory of Open Access Journals (Sweden)

    Muhammad Hanif Azhar

    2016-03-01

    Full Text Available Organic carbon source and C/N ratio play an important role in aquaculture system with biofloc technology application. Nitrogen control by adding carbohydrates to the water to stimulate heterotrophic bacterial growth by converting nitrogen into bacterial biomass. The study investigated the effect molasses, tapioca, tapioca by product and rice bran as carbon sources in a biofloc media at three different C/N ratios i.e. 10, 15, and 20 on total ammonia reduction in biofloc media. Five liters of biofloc media in a conical tank was prepared for each replicate, which consisted of 500 mL of biofloc suspension collected from a shrimp culture unit with biofloc technology application and 4.5 L seawater. Pacific white shrimp culture was performed in 40L glass aquaria at a shrimp density of 30/aquarium. There was a significant interaction between carbon source and the C/N ratio applied (P<0.05. The use of molasses resulted in the highest reduction rate irrespective to the C/N ratio. Keywords: molasses, tapioca, tapioca by product, rice bran, biofloc, total ammonia nitrogen

  11. Structural Properties and UV-Visible Absorption Spectroscopy of Retinal-pyridyl-CN Re(I) Carbonyl Bipyridine Complex: A Theoretical Study.

    Science.gov (United States)

    Eng, Julien; Daniel, Chantal

    2015-10-29

    The structural, electronic, and optical properties of the all-trans and five cis conformers of [Re(CO)3(bpy)(ret-pyr-CN)](+) (bpy = 2,2'-bipyridine; ret-pyr-CN = pyridyl-CN-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-n)-none-(2,4,6,8-tetraen) were studied in solvent by means of density functional theory (DFT) and time-dependent DFT. The isolated retinal-like chromophore ret-pyr-CN was investigated as well for comparison. By coordination to the complex the two lowest intraligand (IL) states localized on the retinal group are slightly red-shifted from 627 to 690 nm and from 415 to 450 nm, respectively. Several isomerization pathways are open upon irradiation of the Re(I) complex by visible light (400-450 nm), especially to two cis conformers corresponding to the isomerization of the two double bonds of the retinal-like ligand close to the pyridyl group linked to the Re(I) fragment. The metal-to-ligand charge transfer states localized either on the retinal group or on the bpy ligand should play a minor role in the isomerization process itself but could improve its efficiency via ultra-fast intersystem crossing.

  12. Nitrogen removal and nitrous oxide emission in surface flow constructed wetlands for treating sewage treatment plant effluent: Effect of C/N ratios.

    Science.gov (United States)

    Li, Ming; Wu, Haiming; Zhang, Jian; Ngo, Huu Hao; Guo, Wenshan; Kong, Qiang

    2017-09-01

    In order to design treatment wetlands with maximal nitrogen removal and minimal nitrous oxide (N 2 O) emission, the effect of influent C/N ratios on nitrogen removal and N 2 O emission in surface flow constructed wetlands (SF CWs) for sewage treatment plant effluent treatment was investigated in this study. The results showed that nitrogen removal and N 2 O emission in CWs were significantly affected by C/N ratio of influent. Much higher removal efficiency of NH 4 + -N (98%) and TN (90%) was obtained simultaneously in SF CWs at C/N ratios of 12:1, and low N 2 O emission (8.2mg/m 2 /d) and the percentage of N 2 O-N emission in TN removal (1.44%) were also observed. These results obtained in this study would be utilized to determine how N 2 O fluxes respond to variations in C/N ratios and to improve the sustainability of CWs for wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. 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...

  14. Elucidation of functional chemical groups responsible of compost phytotoxicity using solid-state13C NMR spectroscopy under different initial C/N ratios.

    Science.gov (United States)

    Azim, Khalid; Faissal, Youssef; Soudi, Brahim; Perissol, Claude; Roussos, Sevastianos; Thami Alami, Imane

    2018-02-01

    More than 1 million tons of fresh organic wastes is produced in the Souss-Massa region in Morocco. Tomato organic residues represent more than 25% of the total organic wastes and are deposited in uncontrolled landfills. Thus, composting can represent a valuable and pertinent solution to this environmental problem. The objectives of this experiment are to identify the potential functional groups responsible for compost phytotoxicity and to determine the optimum initial carbon to nitrogen ratio (C/N) for maximum recovery of tomato residues. The experiment consisted of the variation of the initial C/N ratios (25, 30, 35, and 40) using mixtures of different raw materials (tomato residues, melon residues, olive mill pomace, and sheep manure). Physicochemical parameters (pH, electrical conductivity, C/N ratio, and humic acid/fulvic acid ratio) were determined and spectroscopic analyses (UV-vis and NMR- 13 C) were performed during the composting process along with quality parameters (germination and phytotoxicity tests) at the end. The results showed that the compost with the initial C/N ratio of 35 is the most humified with the least phytotoxic effect. The germination and phytotoxicity tests were negatively correlated with the methoxyl/N-alkyl-C ratio and O-alkyl-C. These two functional groups are probably the origin of phytotoxicity expression in compost quality tests. Thus, a simple and precise quality test could be performed to evaluate directly the phytotoxicity and maturity of compost.

  15. Searching for Stable SinCn Clusters: Combination of Stochastic Potential Surface Search and Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations

    Directory of Open Access Journals (Sweden)

    Larry W. Burggraf

    2013-07-01

    Full Text Available To find low energy SinCn structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA. We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each SinCn cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to SinCn (n = 4–12 clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each SinCn cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  16. Is Tree Species Diversity or Species Identity the More Important Driver of Soil Carbon Stocks, C/N Ratio, and pH?

    DEFF Research Database (Denmark)

    Dawud, Seid Muhie; Raulund-Rasmussen, Karsten; Domisch, Timo

    2016-01-01

    . Diversity was a weaker driver than identity of soil C stocks, C/N ratio, and pH in the soil profile. However, there were significant non-additive effects of diversity and significant effects of identity on C stock and C/N ratio within different parts of the soil profile. More diverse forests had higher C......H, but there was a slight negative effect on N status as indicated by higher C/N ratios in the deeper layers. We conclude that tree species diversity increases soil C stocks and nutrient status to some extent, but tree species identity is a stronger driver of the studied soil properties, particularly in the topsoil.......We explored tree species diversity effects on soil C stock, C/N ratio, and pH as compared with effects of tree species identity. We sampled forest floors and mineral soil (0–40 cm) in a diversity gradient of 1–5 tree species composed of conifers and broadleaves in Białowieża Forest, Poland...

  17. Effects of stocking density of freshwater prawn Macrobrachium rosenbergii and addition of different levels of tilapia Oreochromis niloticus on production in C/N controlled periphyton based system

    NARCIS (Netherlands)

    Asaduzzaman, M.; Wahab, M.A.; Verdegem, M.C.J.; Mondal, M.N.; Azim, M.E.

    2009-01-01

    An on-station trial was conducted to evaluate the effect of stocking density of freshwater prawn and addition of different levels of tilapia on production in carbon/nitrogen (C/N) controlled periphyton based system. The experiment had a 2 × 3 factorial design, in which two levels of prawn stocking

  18. The Influence of Defects on the Electron-Transfer and Magnetic Properties of RbxMn[Fe(CN)6]y·zH2O

    NARCIS (Netherlands)

    Vertelman, Esther J.M.; Maccallini, Enrico; Gournis, Dimitris; Rudolf, Petra; Bakas, Thomas; Luzon, Javier; Broer-Braam, Henderika; Pugzlys, Audrius; Lummen, Tom T.A.; van Loosdrecht, Paul H.M.; van Koningsbruggen, Petronella

    2006-01-01

    The synthesis and detailed characterization of a few samples of the compound RbxMn[Fe(CN)(6)](y)center dot zH(2)O are described. The composition of the materials significantly depends on the applied preparative conditions. Analysis of spectroscopic results (FTIR, Raman, Fe-57 Mossbauer, XPS) and

  19. Uniaxial Negative Thermal Expansion, Negative Linear Compressibility, and Negative Poisson's Ratio Induced by Specific Topology in Zn[Au(CN)2]2.

    Science.gov (United States)

    Wang, Lei; Luo, Hubin; Deng, Shenghua; Sun, Ying; Wang, Cong

    2017-12-18

    The well-known idea of "structure determines properties" can be understood profoundly in the case of hexagonal zinc dicyanometalate. Using density functional theory (DFT) calculations, we show the uniaxial negative thermal expansion (NTE) and negative linear compressibility (NLC) properties of Zn[Au(CN) 2 ] 2 . The temperature dependence of phonon frequencies within the quasi-harmonic approximation (QHA) is investigated. The abnormal phonon hardening (frequency increase on heating) is detected in the ranges of 0-225, 320-345, and 410-430 cm -1 , which can be indicative of the unusual physical properties of Zn[Au(CN) 2 ] 2 . Due to the significance of low-energy phonon frequencies in Zn[Au(CN) 2 ] 2 , in this work, the corresponding vibrational mode of the lowest-frequency optical phonon at the zone center is analyzed. The specific topology of a springlike framework that will produce the effects of a compressed spring on heating and an extended spring under hydrostatic pressure is identified and leads to the coexistence of uniaxial-NTE and NLC behaviors in Zn[Au(CN) 2 ] 2 . The distinguishing phonon group velocity along the a axis and c axis facilitates different responses for both the axes under temperature and hydrostatic pressure field. Through an analysis and visualization of the spatial dependence of elastic tensors, it is found that a negative Poisson's ratio (NPR) is presented in all projection planes due to the specific topology.

  20. Phase transitions of doped carbon in CrCN coatings with modified mechanical and tribological properties via filtered cathodic vacuum arc deposition

    Energy Technology Data Exchange (ETDEWEB)

    Guan, J.J. [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Wang, H.Q. [College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Qin, L.Z., E-mail: qin8394@163.com [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Liao, B.; Liang, H. [College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Li, B. [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China)

    2017-04-15

    The CrCN coatings were fabricated onto Si (1 1 1) wafers and SUS304 stainless steel plates using filtered cathodic vacuum arc deposition (FCVAD) technique under different flow ratios of N{sub 2}/C{sub 2}H{sub 2} gas mixture. The morphology, crystalline structure and chemical composition of the coatings were characterized. It was found that the grain size reduce with increasing carbon content, which makes the CrCN coatings refined and smooth. The quasi-one-dimensional carbolite phase was also found in CrN host lattice with C{sub 2}H{sub 2} content ranging from 5% to 20%, and it will be evolved into amorphous carbon and amorphous CN{sub x} phases as C{sub 2}H{sub 2} content exceeds 20%. Moreover, we examined the mechanical and tribological properties of the CrCN coatings, and the experimental results confirmed that the friction coefficient of the coatings descend to the lowest value as 0.39 with 30% C{sub 2}H{sub 2} content, due to the graphite (sp{sup 2} C−C) phase embed in CrN host lattice; while the chromium carbon (Cr{sub 3}C{sub 2}) and diamond (sp{sup 3} C−C) phases may give rise to the increase of the coating hardness with the highest value at 23.97 GPa under 20% C{sub 2}H{sub 2} content.